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 3ad7_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 0.000 174.595 174.600 -0.008 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1 S CB 0.000 63.201 63.200 0.002 0.000 0.593 2 K N 2.033 122.426 120.400 -0.011 0.000 2.295 2 K HA 0.345 4.664 4.320 -0.003 0.000 0.270 2 K C -2.351 174.237 176.600 -0.021 0.000 1.011 2 K CA -1.530 54.745 56.287 -0.020 0.000 0.953 2 K CB 0.106 32.594 32.500 -0.019 0.000 0.956 2 K HN 0.297 nan 8.250 nan 0.000 0.477 3 P HA -0.043 nan 4.420 nan 0.000 0.272 3 P C -1.303 175.980 177.300 -0.028 0.000 1.230 3 P CA -0.038 63.038 63.100 -0.041 0.000 0.788 3 P CB 0.616 32.266 31.700 -0.083 0.000 0.949 4 Q N -0.867 118.927 119.800 -0.010 0.000 2.435 4 Q HA 0.562 4.900 4.340 -0.003 0.000 0.282 4 Q C -0.957 175.065 176.000 0.037 0.000 1.020 4 Q CA -1.306 54.503 55.803 0.010 0.000 0.820 4 Q CB 1.381 30.130 28.738 0.017 0.000 1.436 4 Q HN 0.112 nan 8.270 nan 0.000 0.395 5 R N 1.344 121.879 120.500 0.059 0.000 2.491 5 R HA 0.371 4.709 4.340 -0.003 0.000 0.283 5 R C -0.678 175.673 176.300 0.085 0.000 1.072 5 R CA 0.054 56.215 56.100 0.101 0.000 1.048 5 R CB 0.363 30.754 30.300 0.151 0.000 0.983 5 R HN 0.691 nan 8.270 nan 0.000 0.450 6 L N 2.364 123.638 121.223 0.085 0.000 2.454 6 L HA 0.314 4.653 4.340 -0.003 0.000 0.256 6 L C 0.502 177.409 176.870 0.061 0.000 1.136 6 L CA -0.642 54.236 54.840 0.063 0.000 0.804 6 L CB 1.180 43.273 42.059 0.057 0.000 1.181 6 L HN 0.878 nan 8.230 nan 0.000 0.469 7 S N 0.202 115.928 115.700 0.044 0.000 2.576 7 S HA 0.115 4.583 4.470 -0.003 0.000 0.272 7 S C 1.058 175.671 174.600 0.020 0.000 1.352 7 S CA -0.096 58.125 58.200 0.035 0.000 1.021 7 S CB 1.297 64.512 63.200 0.026 0.000 0.887 7 S HN 0.699 nan 8.310 nan 0.000 0.542 8 A N 2.847 125.669 122.820 0.005 0.000 1.917 8 A HA 0.001 4.319 4.320 -0.003 0.000 0.219 8 A C 2.458 180.030 177.584 -0.020 0.000 1.182 8 A CA 2.214 54.234 52.037 -0.028 0.000 0.633 8 A CB -1.752 17.220 19.000 -0.047 0.000 0.819 8 A HN 1.460 nan 8.150 nan 0.000 0.448 9 A N -0.800 122.015 122.820 -0.007 0.000 1.902 9 A HA -0.218 4.101 4.320 -0.003 0.000 0.217 9 A C 2.050 179.633 177.584 -0.001 0.000 1.181 9 A CA 1.634 53.668 52.037 -0.005 0.000 0.623 9 A CB -0.575 18.425 19.000 0.001 0.000 0.818 9 A HN 0.671 nan 8.150 nan 0.000 0.443 10 Q N -0.629 119.175 119.800 0.006 0.000 2.436 10 Q HA -0.046 4.293 4.340 -0.003 0.000 0.209 10 Q C 0.786 176.793 176.000 0.011 0.000 0.965 10 Q CA 1.286 57.096 55.803 0.011 0.000 0.910 10 Q CB -0.119 28.631 28.738 0.020 0.000 0.980 10 Q HN 0.802 nan 8.270 nan 0.000 0.491 11 T N -3.501 111.056 114.554 0.004 0.000 3.380 11 T HA 0.588 4.937 4.350 -0.003 0.000 0.289 11 T C 0.140 174.831 174.700 -0.015 0.000 1.012 11 T CA -0.332 61.770 62.100 0.004 0.000 0.944 11 T CB 0.506 69.386 68.868 0.019 0.000 1.172 11 T HN 0.133 nan 8.240 nan 0.000 0.502 12 A N 0.261 123.070 122.820 -0.018 0.000 2.445 12 A HA 0.616 4.935 4.320 -0.003 0.000 0.242 12 A C 1.748 179.316 177.584 -0.027 0.000 1.075 12 A CA 0.403 52.423 52.037 -0.027 0.000 0.777 12 A CB -0.849 18.138 19.000 -0.022 0.000 1.013 12 A HN 1.658 nan 8.150 nan 0.000 0.493 13 G N 0.078 108.858 108.800 -0.033 0.000 2.212 13 G HA2 0.086 4.044 3.960 -0.003 0.000 0.266 13 G HA3 0.086 4.044 3.960 -0.003 0.000 0.266 13 G C 0.760 175.631 174.900 -0.048 0.000 0.978 13 G CA 0.725 45.804 45.100 -0.035 0.000 0.632 13 G HN 2.289 nan 8.290 nan 0.000 0.537 14 A N 0.216 123.009 122.820 -0.045 0.000 2.555 14 A HA 0.495 4.814 4.320 -0.003 0.000 0.233 14 A C 1.090 178.628 177.584 -0.075 0.000 1.060 14 A CA 0.471 52.472 52.037 -0.060 0.000 0.759 14 A CB 0.169 19.161 19.000 -0.014 0.000 0.995 14 A HN 0.393 nan 8.150 nan 0.000 0.506 15 R N 1.533 121.956 120.500 -0.129 0.000 4.306 15 R HA 0.249 4.587 4.340 -0.003 0.000 0.266 15 R C -0.451 175.830 176.300 -0.031 0.000 1.624 15 R CA 0.226 56.262 56.100 -0.107 0.000 1.487 15 R CB -1.124 29.067 30.300 -0.181 0.000 1.441 15 R HN 0.736 nan 8.270 nan 0.000 0.750 16 I N -2.622 117.956 120.570 0.013 0.000 2.934 16 I HA 0.455 4.623 4.170 -0.003 0.000 0.306 16 I C -0.366 175.751 176.117 -0.000 0.000 1.110 16 I CA -1.272 60.078 61.300 0.085 0.000 1.019 16 I CB 2.214 40.318 38.000 0.173 0.000 1.227 16 I HN -0.217 nan 8.210 nan 0.000 0.434 17 N N 3.016 121.737 118.700 0.035 0.000 2.609 17 N HA 0.329 5.067 4.740 -0.003 0.000 0.234 17 N C 0.328 175.765 175.510 -0.123 0.000 1.001 17 N CA -0.438 52.598 53.050 -0.024 0.000 0.926 17 N CB 0.932 39.444 38.487 0.041 0.000 1.130 17 N HN 0.628 nan 8.380 nan 0.000 0.510 18 R N 1.127 121.394 120.500 -0.389 0.000 2.341 18 R HA -0.019 4.319 4.340 -0.003 0.000 0.213 18 R C -0.159 176.024 176.300 -0.194 0.000 1.082 18 R CA 0.777 56.438 56.100 -0.732 0.000 1.017 18 R CB 0.325 30.209 30.300 -0.694 0.000 0.860 18 R HN 0.507 nan 8.270 nan 0.000 0.473 19 D N -0.032 120.343 120.400 -0.042 0.000 2.349 19 D HA -0.027 4.611 4.640 -0.003 0.000 0.214 19 D C -0.092 176.271 176.300 0.104 0.000 1.063 19 D CA 0.473 54.496 54.000 0.038 0.000 0.847 19 D CB 0.482 41.289 40.800 0.012 0.000 0.933 19 D HN 0.220 nan 8.370 nan 0.000 0.513 20 E N 1.086 121.388 120.200 0.171 0.000 2.795 20 E HA 0.450 4.799 4.350 -0.003 0.000 0.226 20 E C -0.967 175.803 176.600 0.282 0.000 1.088 20 E CA -0.449 56.061 56.400 0.184 0.000 0.812 20 E CB 0.779 30.556 29.700 0.128 0.000 1.328 20 E HN -0.040 nan 8.360 nan 0.000 0.410 21 A N 4.023 126.990 122.820 0.246 0.000 2.425 21 A HA 0.528 4.847 4.320 -0.003 0.000 0.249 21 A C -0.514 177.074 177.584 0.008 0.000 1.084 21 A CA 0.026 52.119 52.037 0.095 0.000 0.781 21 A CB 0.360 19.387 19.000 0.046 0.000 1.019 21 A HN 0.649 nan 8.150 nan 0.000 0.490 22 L N 0.821 121.996 121.223 -0.080 0.000 2.359 22 L HA 0.703 5.042 4.340 -0.003 0.000 0.256 22 L C 0.193 177.011 176.870 -0.087 0.000 1.026 22 L CA -0.744 54.068 54.840 -0.046 0.000 0.828 22 L CB 2.824 44.876 42.059 -0.011 0.000 1.406 22 L HN 0.895 nan 8.230 nan 0.000 0.413 23 T N -0.207 114.314 114.554 -0.055 0.000 2.916 23 T HA 0.868 5.217 4.350 -0.003 0.000 0.292 23 T C -0.761 173.914 174.700 -0.042 0.000 1.055 23 T CA -0.708 61.355 62.100 -0.061 0.000 1.009 23 T CB 2.141 70.979 68.868 -0.050 0.000 1.118 23 T HN 0.659 nan 8.240 nan 0.000 0.497 24 L N -1.580 119.616 121.223 -0.046 0.000 2.630 24 L HA 0.958 5.296 4.340 -0.003 0.000 0.258 24 L C -1.277 175.571 176.870 -0.037 0.000 1.072 24 L CA -1.103 53.716 54.840 -0.034 0.000 0.885 24 L CB 1.799 43.839 42.059 -0.032 0.000 1.502 24 L HN 0.688 nan 8.230 nan 0.000 0.406 25 T N 0.667 115.202 114.554 -0.031 0.000 2.848 25 T HA 0.697 5.045 4.350 -0.003 0.000 0.285 25 T C -0.924 173.756 174.700 -0.032 0.000 0.995 25 T CA -0.484 61.597 62.100 -0.032 0.000 0.970 25 T CB 1.965 70.817 68.868 -0.027 0.000 0.976 25 T HN 0.479 nan 8.240 nan 0.000 0.441 26 V N 2.887 122.780 119.914 -0.036 0.000 2.483 26 V HA 0.336 4.454 4.120 -0.003 0.000 0.297 26 V C -0.439 175.634 176.094 -0.035 0.000 1.027 26 V CA -0.891 61.387 62.300 -0.036 0.000 0.855 26 V CB 1.418 33.216 31.823 -0.043 0.000 0.995 26 V HN 0.999 nan 8.190 nan 0.000 0.424 27 D N 4.328 124.709 120.400 -0.032 0.000 2.697 27 D HA -0.165 4.473 4.640 -0.003 0.000 0.235 27 D C 1.328 177.611 176.300 -0.028 0.000 1.167 27 D CA 1.894 55.876 54.000 -0.030 0.000 0.656 27 D CB -0.992 39.788 40.800 -0.032 0.000 1.025 27 D HN 1.435 nan 8.370 nan 0.000 0.419 28 G N -0.243 108.541 108.800 -0.026 0.000 2.168 28 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.257 28 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.257 28 G C 0.161 175.046 174.900 -0.025 0.000 0.997 28 G CA 0.716 45.802 45.100 -0.023 0.000 0.708 28 G HN 0.691 nan 8.290 nan 0.000 0.520 29 Q N -0.266 119.517 119.800 -0.028 0.000 2.333 29 Q HA 0.546 4.884 4.340 -0.003 0.000 0.267 29 Q C -0.068 175.912 176.000 -0.033 0.000 1.012 29 Q CA -0.747 55.038 55.803 -0.030 0.000 0.824 29 Q CB 0.978 29.696 28.738 -0.032 0.000 1.290 29 Q HN 0.415 nan 8.270 nan 0.000 0.449 30 Q N 4.485 124.265 119.800 -0.033 0.000 2.267 30 Q HA 0.421 4.759 4.340 -0.003 0.000 0.255 30 Q C -1.340 174.633 176.000 -0.046 0.000 0.923 30 Q CA -0.273 55.507 55.803 -0.037 0.000 0.925 30 Q CB 0.735 29.453 28.738 -0.033 0.000 1.195 30 Q HN 0.635 nan 8.270 nan 0.000 0.417 31 L N 1.821 123.011 121.223 -0.055 0.000 2.333 31 L HA 0.508 4.847 4.340 -0.003 0.000 0.269 31 L C -0.109 176.706 176.870 -0.091 0.000 1.010 31 L CA -0.963 53.835 54.840 -0.070 0.000 0.818 31 L CB 2.087 44.103 42.059 -0.071 0.000 1.306 31 L HN 0.539 nan 8.230 nan 0.000 0.430 32 S N 0.363 115.991 115.700 -0.119 0.000 2.554 32 S HA 0.829 5.297 4.470 -0.003 0.000 0.278 32 S C -0.292 174.159 174.600 -0.248 0.000 1.242 32 S CA -0.246 57.842 58.200 -0.187 0.000 1.051 32 S CB 1.338 64.414 63.200 -0.207 0.000 0.986 32 S HN 0.721 nan 8.310 nan 0.000 0.502 33 A N 2.582 125.202 122.820 -0.334 0.000 2.567 33 A HA 0.891 5.209 4.320 -0.003 0.000 0.289 33 A C -1.930 175.331 177.584 -0.539 0.000 1.177 33 A CA -0.620 51.216 52.037 -0.336 0.000 0.694 33 A CB 0.765 19.695 19.000 -0.117 0.000 1.292 33 A HN 0.634 nan 8.150 nan 0.000 0.425 34 F N -0.431 119.554 119.950 0.058 0.000 2.577 34 F HA 0.709 5.235 4.527 -0.003 0.000 0.318 34 F C 0.439 176.288 175.800 0.081 0.000 1.065 34 F CA -0.698 57.341 58.000 0.065 0.000 0.929 34 F CB 1.667 40.710 39.000 0.073 0.000 1.237 34 F HN 0.632 nan 8.300 nan 0.000 0.468 35 R N 0.868 121.534 120.500 0.277 0.000 2.504 35 R HA 0.398 4.736 4.340 -0.003 0.000 0.291 35 R C 0.888 177.314 176.300 0.209 0.000 0.974 35 R CA 1.403 57.620 56.100 0.194 0.000 1.077 35 R CB -0.364 30.026 30.300 0.149 0.000 0.926 35 R HN 0.922 nan 8.270 nan 0.000 0.407 36 G N 2.765 111.689 108.800 0.206 0.000 2.307 36 G HA2 -0.218 3.741 3.960 -0.003 0.000 0.210 36 G HA3 -0.218 3.741 3.960 -0.003 0.000 0.210 36 G C -0.374 174.741 174.900 0.358 0.000 1.005 36 G CA -0.032 45.206 45.100 0.231 0.000 0.634 36 G HN 0.649 nan 8.290 nan 0.000 0.496 37 D N 2.331 122.920 120.400 0.315 0.000 2.449 37 D HA 0.437 5.076 4.640 -0.003 0.000 0.236 37 D C 1.345 177.726 176.300 0.136 0.000 1.149 37 D CA 1.336 55.478 54.000 0.236 0.000 0.878 37 D CB 1.168 42.044 40.800 0.126 0.000 1.198 37 D HN 0.552 nan 8.370 nan 0.000 0.446 38 T N -1.994 112.537 114.554 -0.039 0.000 2.862 38 T HA 0.247 4.596 4.350 -0.003 0.000 0.276 38 T C 1.567 176.227 174.700 -0.067 0.000 0.974 38 T CA -0.908 61.173 62.100 -0.032 0.000 0.966 38 T CB 0.843 69.678 68.868 -0.056 0.000 1.072 38 T HN 0.044 nan 8.240 nan 0.000 0.538 39 V N 1.169 121.061 119.914 -0.035 0.000 2.407 39 V HA -0.116 4.003 4.120 -0.003 0.000 0.248 39 V C 3.027 179.071 176.094 -0.083 0.000 1.055 39 V CA 2.278 64.550 62.300 -0.048 0.000 1.049 39 V CB -1.623 30.183 31.823 -0.028 0.000 0.662 39 V HN 1.056 nan 8.190 nan 0.000 0.455 40 A N 0.681 123.449 122.820 -0.086 0.000 1.897 40 A HA -0.173 4.145 4.320 -0.003 0.000 0.215 40 A C 2.560 180.015 177.584 -0.215 0.000 1.181 40 A CA 2.037 54.009 52.037 -0.108 0.000 0.620 40 A CB -0.731 18.267 19.000 -0.003 0.000 0.821 40 A HN 0.667 nan 8.150 nan 0.000 0.443 41 S N 0.264 115.801 115.700 -0.270 0.000 2.383 41 S HA 0.044 4.512 4.470 -0.003 0.000 0.227 41 S C 2.092 176.565 174.600 -0.211 0.000 1.026 41 S CA 1.310 59.291 58.200 -0.364 0.000 0.981 41 S CB -0.648 62.018 63.200 -0.889 0.000 0.818 41 S HN 0.862 nan 8.310 nan 0.000 0.472 42 A N 2.115 124.843 122.820 -0.154 0.000 1.902 42 A HA 0.072 4.391 4.320 -0.003 0.000 0.217 42 A C 2.363 179.881 177.584 -0.109 0.000 1.181 42 A CA 1.634 53.611 52.037 -0.099 0.000 0.623 42 A CB -0.818 18.135 19.000 -0.079 0.000 0.818 42 A HN 0.572 nan 8.150 nan 0.000 0.443 43 M N -0.622 118.904 119.600 -0.124 0.000 2.073 43 M HA -0.195 4.283 4.480 -0.003 0.000 0.258 43 M C 2.167 178.387 176.300 -0.133 0.000 1.070 43 M CA 1.785 57.014 55.300 -0.118 0.000 1.103 43 M CB -0.609 31.919 32.600 -0.120 0.000 1.321 43 M HN 0.396 nan 8.290 nan 0.000 0.405 44 L N -0.434 120.672 121.223 -0.195 0.000 2.046 44 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 44 L C 2.789 179.586 176.870 -0.121 0.000 1.077 44 L CA 1.096 55.813 54.840 -0.204 0.000 0.747 44 L CB -0.966 40.869 42.059 -0.375 0.000 0.896 44 L HN 0.325 nan 8.230 nan 0.000 0.432 45 A N -0.217 122.548 122.820 -0.091 0.000 2.032 45 A HA -0.208 4.110 4.320 -0.003 0.000 0.221 45 A C 1.820 179.383 177.584 -0.035 0.000 1.165 45 A CA 1.783 53.804 52.037 -0.026 0.000 0.645 45 A CB -0.532 18.473 19.000 0.009 0.000 0.807 45 A HN 0.542 nan 8.150 nan 0.000 0.453 46 N N -1.367 117.297 118.700 -0.059 0.000 2.214 46 N HA 0.224 4.962 4.740 -0.003 0.000 0.214 46 N C 0.834 176.315 175.510 -0.049 0.000 1.132 46 N CA 0.692 53.710 53.050 -0.053 0.000 0.856 46 N CB 0.632 39.080 38.487 -0.064 0.000 1.020 46 N HN 0.594 nan 8.380 nan 0.000 0.509 47 G N 1.134 109.902 108.800 -0.052 0.000 2.141 47 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.242 47 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.242 47 G C -0.165 174.703 174.900 -0.055 0.000 0.982 47 G CA -0.258 44.815 45.100 -0.046 0.000 0.662 47 G HN 0.224 nan 8.290 nan 0.000 0.527 48 L N 0.258 121.438 121.223 -0.070 0.000 2.294 48 L HA 0.533 4.872 4.340 -0.003 0.000 0.283 48 L C 1.535 178.351 176.870 -0.090 0.000 1.015 48 L CA -0.616 54.181 54.840 -0.071 0.000 0.831 48 L CB 1.385 43.402 42.059 -0.069 0.000 1.217 48 L HN 0.387 nan 8.230 nan 0.000 0.420 49 R N 0.475 120.929 120.500 -0.076 0.000 2.279 49 R HA 0.244 4.583 4.340 -0.003 0.000 0.195 49 R C 0.354 176.617 176.300 -0.062 0.000 0.905 49 R CA -0.167 55.883 56.100 -0.083 0.000 1.044 49 R CB 0.325 30.583 30.300 -0.070 0.000 1.056 49 R HN 0.432 nan 8.270 nan 0.000 0.535 50 S N 0.843 116.512 115.700 -0.052 0.000 2.601 50 S HA 0.356 4.824 4.470 -0.003 0.000 0.271 50 S C 0.410 174.981 174.600 -0.048 0.000 1.305 50 S CA -0.590 57.584 58.200 -0.045 0.000 1.022 50 S CB 1.260 64.436 63.200 -0.041 0.000 0.940 50 S HN 0.515 nan 8.310 nan 0.000 0.525 51 C N 0.800 120.072 119.300 -0.046 0.000 3.459 51 C HA 0.962 5.421 4.460 -0.003 0.000 0.358 51 C C 0.987 175.945 174.990 -0.053 0.000 2.992 51 C CA -0.864 58.125 59.018 -0.048 0.000 1.568 51 C CB -0.331 27.383 27.740 -0.044 0.000 3.388 51 C HN 0.810 nan 8.230 nan 0.000 0.515 52 G N 1.873 110.639 108.800 -0.057 0.000 2.491 52 G HA2 0.379 4.338 3.960 -0.003 0.000 0.238 52 G HA3 0.379 4.338 3.960 -0.003 0.000 0.238 52 G C -0.243 174.613 174.900 -0.073 0.000 1.277 52 G CA 0.051 45.113 45.100 -0.063 0.000 0.851 52 G HN 0.803 nan 8.290 nan 0.000 0.573 53 N N -0.187 118.471 118.700 -0.070 0.000 2.307 53 N HA 0.091 4.830 4.740 -0.003 0.000 0.230 53 N C 1.101 176.550 175.510 -0.101 0.000 1.297 53 N CA 0.219 53.223 53.050 -0.076 0.000 0.884 53 N CB 0.570 39.023 38.487 -0.058 0.000 1.115 53 N HN 0.682 nan 8.380 nan 0.000 0.436 54 S N -0.087 115.546 115.700 -0.111 0.000 2.576 54 S HA -0.006 4.463 4.470 -0.003 0.000 0.272 54 S C 1.305 175.819 174.600 -0.144 0.000 1.352 54 S CA -0.497 57.621 58.200 -0.136 0.000 1.021 54 S CB 0.452 63.567 63.200 -0.142 0.000 0.887 54 S HN 0.661 nan 8.310 nan 0.000 0.542 55 M N 1.389 120.850 119.600 -0.233 0.000 2.200 55 M HA 0.013 4.491 4.480 -0.003 0.000 0.265 55 M C 0.552 176.561 176.300 -0.484 0.000 1.066 55 M CA 1.529 56.575 55.300 -0.423 0.000 1.127 55 M CB -0.124 32.088 32.600 -0.647 0.000 1.379 55 M HN 0.865 nan 8.290 nan 0.000 0.420 56 Y N -0.869 119.437 120.300 0.010 0.000 2.607 56 Y HA 0.257 4.805 4.550 -0.003 0.000 0.276 56 Y C 1.603 177.527 175.900 0.041 0.000 1.117 56 Y CA 0.348 58.462 58.100 0.023 0.000 1.273 56 Y CB 0.027 38.504 38.460 0.029 0.000 1.282 56 Y HN 0.063 nan 8.280 nan 0.000 0.514 57 L N -0.242 121.100 121.223 0.198 0.000 2.567 57 L HA 0.099 4.438 4.340 -0.003 0.000 0.225 57 L C 0.178 177.109 176.870 0.102 0.000 1.119 57 L CA 0.550 55.493 54.840 0.172 0.000 0.871 57 L CB -0.078 42.132 42.059 0.251 0.000 1.036 57 L HN 0.120 nan 8.230 nan 0.000 0.459 58 D N 1.167 121.594 120.400 0.045 0.000 2.772 58 D HA -0.203 4.435 4.640 -0.003 0.000 0.233 58 D C 0.419 176.719 176.300 -0.000 0.000 1.143 58 D CA 0.575 54.579 54.000 0.006 0.000 0.700 58 D CB -0.297 40.512 40.800 0.015 0.000 1.076 58 D HN 0.261 nan 8.370 nan 0.000 0.430 59 R N 0.122 120.616 120.500 -0.010 0.000 2.531 59 R HA 0.491 4.830 4.340 -0.003 0.000 0.273 59 R C -2.218 174.041 176.300 -0.067 0.000 1.070 59 R CA -1.608 54.474 56.100 -0.030 0.000 1.112 59 R CB 0.521 30.799 30.300 -0.035 0.000 1.049 59 R HN 0.069 nan 8.270 nan 0.000 0.508 60 P HA 0.012 nan 4.420 nan 0.000 0.264 60 P C -0.807 176.440 177.300 -0.088 0.000 1.193 60 P CA 0.480 63.542 63.100 -0.063 0.000 0.763 60 P CB 0.668 32.339 31.700 -0.049 0.000 0.810 61 R N 1.760 122.211 120.500 -0.082 0.000 2.771 61 R HA 0.804 5.143 4.340 -0.003 0.000 0.274 61 R C 0.039 176.309 176.300 -0.051 0.000 0.987 61 R CA -0.760 55.285 56.100 -0.091 0.000 0.908 61 R CB 2.439 32.666 30.300 -0.123 0.000 1.213 61 R HN 0.621 nan 8.270 nan 0.000 0.468 62 G N 0.490 109.279 108.800 -0.019 0.000 2.730 62 G HA2 0.532 4.491 3.960 -0.003 0.000 0.289 62 G HA3 0.532 4.491 3.960 -0.003 0.000 0.289 62 G C -0.537 174.389 174.900 0.043 0.000 1.341 62 G CA -0.867 44.233 45.100 0.001 0.000 0.932 62 G HN 0.389 nan 8.290 nan 0.000 0.481 63 I N 0.393 120.977 120.570 0.023 0.000 2.752 63 I HA 0.017 4.185 4.170 -0.003 0.000 0.289 63 I C 0.638 176.848 176.117 0.155 0.000 1.197 63 I CA 0.344 61.680 61.300 0.061 0.000 1.432 63 I CB 0.546 38.529 38.000 -0.027 0.000 1.359 63 I HN 0.488 nan 8.210 nan 0.000 0.571 64 F N 5.034 125.000 119.950 0.028 0.000 2.653 64 F HA 0.153 4.678 4.527 -0.003 0.000 0.288 64 F C 1.132 176.986 175.800 0.090 0.000 1.121 64 F CA 0.311 58.335 58.000 0.040 0.000 1.384 64 F CB 0.428 39.432 39.000 0.006 0.000 1.115 64 F HN 0.551 nan 8.300 nan 0.000 0.599 65 S N -0.701 115.097 115.700 0.163 0.000 2.776 65 S HA 0.742 5.211 4.470 -0.003 0.000 0.292 65 S C -0.415 174.280 174.600 0.158 0.000 1.187 65 S CA -0.166 58.090 58.200 0.094 0.000 0.834 65 S CB 1.202 64.479 63.200 0.128 0.000 1.199 65 S HN 0.267 nan 8.310 nan 0.000 0.514 66 A N -0.257 122.575 122.820 0.021 0.000 2.643 66 A HA 0.807 5.125 4.320 -0.003 0.000 0.295 66 A C 0.536 178.134 177.584 0.023 0.000 1.065 66 A CA 0.135 52.129 52.037 -0.072 0.000 0.986 66 A CB -0.556 18.171 19.000 -0.455 0.000 1.212 66 A HN 1.625 nan 8.150 nan 0.000 0.516 67 G N -1.581 107.251 108.800 0.052 0.000 2.731 67 G HA2 0.442 4.401 3.960 -0.003 0.000 0.309 67 G HA3 0.442 4.401 3.960 -0.003 0.000 0.309 67 G C 0.735 175.658 174.900 0.038 0.000 1.273 67 G CA 0.387 45.525 45.100 0.063 0.000 0.798 67 G HN 0.817 nan 8.290 nan 0.000 0.509 68 V N -0.577 119.357 119.914 0.034 0.000 3.078 68 V HA 0.025 4.143 4.120 -0.003 0.000 0.265 68 V C 1.916 177.955 176.094 -0.091 0.000 1.122 68 V CA 2.435 64.727 62.300 -0.014 0.000 1.141 68 V CB -0.494 31.331 31.823 0.004 0.000 0.735 68 V HN 0.731 nan 8.190 nan 0.000 0.498 69 E N 1.270 121.378 120.200 -0.153 0.000 2.502 69 E HA -0.095 4.253 4.350 -0.003 0.000 0.194 69 E C 0.850 177.435 176.600 -0.024 0.000 1.062 69 E CA 0.160 56.448 56.400 -0.187 0.000 0.867 69 E CB -0.309 29.159 29.700 -0.388 0.000 0.888 69 E HN 0.709 nan 8.360 nan 0.000 0.510 70 E N 3.315 123.526 120.200 0.019 0.000 2.868 70 E HA -0.080 4.269 4.350 -0.003 0.000 0.246 70 E C -1.616 175.000 176.600 0.026 0.000 0.962 70 E CA -0.749 55.694 56.400 0.072 0.000 0.955 70 E CB 0.968 30.707 29.700 0.065 0.000 0.903 70 E HN 0.037 nan 8.360 nan 0.000 0.524 71 P HA 0.062 nan 4.420 nan 0.000 0.232 71 P C 0.059 177.308 177.300 -0.085 0.000 1.170 71 P CA 0.475 63.532 63.100 -0.072 0.000 0.824 71 P CB 0.600 32.191 31.700 -0.181 0.000 0.896 72 N N 0.561 119.226 118.700 -0.059 0.000 2.508 72 N HA 0.081 4.819 4.740 -0.003 0.000 0.186 72 N C 0.959 176.442 175.510 -0.046 0.000 1.034 72 N CA 0.537 53.543 53.050 -0.074 0.000 0.885 72 N CB -0.582 37.864 38.487 -0.068 0.000 1.135 72 N HN -0.009 nan 8.380 nan 0.000 0.435 73 A N 2.179 124.992 122.820 -0.012 0.000 3.015 73 A HA 0.437 4.755 4.320 -0.003 0.000 0.293 73 A C -0.100 177.472 177.584 -0.020 0.000 1.572 73 A CA -0.262 51.765 52.037 -0.016 0.000 1.274 73 A CB -0.921 18.079 19.000 0.000 0.000 1.156 73 A HN 0.144 nan 8.150 nan 0.000 0.562 74 L N 2.483 123.685 121.223 -0.035 0.000 2.343 74 L HA 0.699 5.037 4.340 -0.003 0.000 0.275 74 L C 0.101 176.949 176.870 -0.037 0.000 1.056 74 L CA -0.621 54.197 54.840 -0.035 0.000 0.804 74 L CB 1.386 43.418 42.059 -0.046 0.000 1.203 74 L HN 0.677 nan 8.230 nan 0.000 0.440 75 I N -2.030 118.521 120.570 -0.031 0.000 2.865 75 I HA 0.516 4.684 4.170 -0.003 0.000 0.302 75 I C -0.592 175.506 176.117 -0.031 0.000 1.140 75 I CA -0.574 60.707 61.300 -0.032 0.000 1.021 75 I CB 2.368 40.352 38.000 -0.026 0.000 1.233 75 I HN 0.309 nan 8.210 nan 0.000 0.427 76 T N 3.705 118.239 114.554 -0.033 0.000 2.771 76 T HA 0.440 4.788 4.350 -0.003 0.000 0.291 76 T C -0.112 174.572 174.700 -0.027 0.000 0.954 76 T CA -0.341 61.739 62.100 -0.032 0.000 1.045 76 T CB 1.383 70.230 68.868 -0.035 0.000 0.917 76 T HN 0.383 nan 8.240 nan 0.000 0.484 77 V N 3.516 123.416 119.914 -0.024 0.000 2.383 77 V HA 0.529 4.647 4.120 -0.003 0.000 0.275 77 V C 1.049 177.126 176.094 -0.029 0.000 1.036 77 V CA -0.816 61.471 62.300 -0.022 0.000 0.889 77 V CB 1.304 33.120 31.823 -0.013 0.000 0.985 77 V HN 1.025 nan 8.190 nan 0.000 0.459 78 G N 3.597 112.378 108.800 -0.031 0.000 2.442 78 G HA2 0.475 4.433 3.960 -0.003 0.000 0.249 78 G HA3 0.475 4.433 3.960 -0.003 0.000 0.249 78 G C 0.465 175.334 174.900 -0.051 0.000 1.263 78 G CA 0.065 45.143 45.100 -0.036 0.000 0.846 78 G HN 1.235 nan 8.290 nan 0.000 0.555 79 A N 2.510 125.294 122.820 -0.061 0.000 2.608 79 A HA 0.015 4.333 4.320 -0.003 0.000 0.246 79 A C 1.753 179.263 177.584 -0.124 0.000 0.998 79 A CA 0.236 52.211 52.037 -0.102 0.000 0.796 79 A CB 0.208 19.160 19.000 -0.080 0.000 0.895 79 A HN 0.757 nan 8.150 nan 0.000 0.508 80 R N 1.553 121.919 120.500 -0.223 0.000 2.093 80 R HA 0.014 4.352 4.340 -0.003 0.000 0.224 80 R C 0.510 176.746 176.300 -0.106 0.000 1.101 80 R CA 1.914 57.910 56.100 -0.172 0.000 0.979 80 R CB -0.477 29.720 30.300 -0.172 0.000 0.877 80 R HN 1.050 nan 8.270 nan 0.000 0.441 81 H N -3.293 115.778 119.070 0.002 0.000 3.199 81 H HA 0.331 4.886 4.556 -0.003 0.000 0.292 81 H C 0.605 175.933 175.328 0.001 0.000 1.600 81 H CA -0.853 55.194 56.048 -0.002 0.000 1.235 81 H CB 0.229 29.987 29.762 -0.007 0.000 1.839 81 H HN -0.401 nan 8.280 nan 0.000 0.623 82 Q N -0.180 119.751 119.800 0.218 0.000 2.224 82 Q HA 0.109 4.448 4.340 -0.003 0.000 0.203 82 Q C 1.118 177.212 176.000 0.157 0.000 0.970 82 Q CA 1.307 57.187 55.803 0.127 0.000 0.865 82 Q CB -0.153 28.634 28.738 0.083 0.000 0.922 82 Q HN 0.712 nan 8.270 nan 0.000 0.445 83 A N 0.668 123.702 122.820 0.357 0.000 2.579 83 A HA 0.143 4.461 4.320 -0.003 0.000 0.273 83 A C -0.422 177.271 177.584 0.182 0.000 1.363 83 A CA -0.133 52.069 52.037 0.276 0.000 0.953 83 A CB -0.049 19.086 19.000 0.226 0.000 1.034 83 A HN 0.005 nan 8.150 nan 0.000 0.536 84 D N -0.555 119.844 120.400 -0.003 0.000 2.596 84 D HA 0.650 5.288 4.640 -0.003 0.000 0.234 84 D C -0.500 175.765 176.300 -0.058 0.000 1.181 84 D CA -0.300 53.618 54.000 -0.136 0.000 0.856 84 D CB 1.794 42.304 40.800 -0.483 0.000 1.498 84 D HN 0.275 nan 8.370 nan 0.000 0.446 85 I N -1.319 119.230 120.570 -0.034 0.000 3.206 85 I HA 0.634 4.802 4.170 -0.003 0.000 0.313 85 I C -0.393 175.704 176.117 -0.032 0.000 1.103 85 I CA -1.075 60.213 61.300 -0.020 0.000 0.985 85 I CB 1.480 39.484 38.000 0.007 0.000 1.240 85 I HN 0.038 nan 8.210 nan 0.000 0.464 86 N N 2.417 121.100 118.700 -0.028 0.000 2.492 86 N HA 0.155 4.893 4.740 -0.003 0.000 0.262 86 N C -0.867 174.627 175.510 -0.026 0.000 1.202 86 N CA 0.162 53.194 53.050 -0.030 0.000 0.926 86 N CB 0.601 39.071 38.487 -0.029 0.000 1.078 86 N HN 0.672 nan 8.380 nan 0.000 0.454 87 E N 0.431 120.615 120.200 -0.025 0.000 2.224 87 E HA 0.337 4.685 4.350 -0.003 0.000 0.265 87 E C -1.190 175.391 176.600 -0.031 0.000 0.878 87 E CA -0.462 55.923 56.400 -0.024 0.000 0.759 87 E CB 1.214 30.911 29.700 -0.005 0.000 1.164 87 E HN 0.389 nan 8.360 nan 0.000 0.414 88 S N 3.349 119.022 115.700 -0.044 0.000 2.722 88 S HA 0.447 4.916 4.470 -0.003 0.000 0.292 88 S C 0.194 174.765 174.600 -0.048 0.000 1.135 88 S CA -0.320 57.852 58.200 -0.047 0.000 1.003 88 S CB 0.677 63.843 63.200 -0.055 0.000 1.067 88 S HN 0.763 nan 8.310 nan 0.000 0.546 89 M N 0.696 120.268 119.600 -0.046 0.000 2.732 89 M HA -0.150 4.328 4.480 -0.003 0.000 0.207 89 M C -1.197 175.081 176.300 -0.036 0.000 0.513 89 M CA 0.613 55.885 55.300 -0.046 0.000 0.652 89 M CB -2.440 30.128 32.600 -0.054 0.000 2.410 89 M HN 0.473 nan 8.290 nan 0.000 0.660 90 L N 1.156 122.363 121.223 -0.028 0.000 2.307 90 L HA 0.450 4.789 4.340 -0.003 0.000 0.282 90 L C -1.716 175.147 176.870 -0.012 0.000 1.051 90 L CA -1.781 53.050 54.840 -0.015 0.000 0.804 90 L CB 1.258 43.314 42.059 -0.005 0.000 1.197 90 L HN -0.104 nan 8.230 nan 0.000 0.431 91 P HA 0.054 nan 4.420 nan 0.000 0.271 91 P C 0.122 177.429 177.300 0.012 0.000 1.226 91 P CA -0.129 62.972 63.100 0.002 0.000 0.765 91 P CB 1.169 32.873 31.700 0.007 0.000 0.835 92 A N 3.455 126.280 122.820 0.008 0.000 2.070 92 A HA -0.141 4.178 4.320 -0.003 0.000 0.220 92 A C 1.783 179.378 177.584 0.018 0.000 1.159 92 A CA 2.083 54.123 52.037 0.004 0.000 0.656 92 A CB -1.515 17.479 19.000 -0.010 0.000 0.800 92 A HN 0.576 nan 8.150 nan 0.000 0.453 93 T N -3.293 111.286 114.554 0.042 0.000 3.085 93 T HA -0.019 4.330 4.350 -0.003 0.000 0.263 93 T C 1.244 175.987 174.700 0.072 0.000 1.127 93 T CA 1.624 63.765 62.100 0.069 0.000 1.103 93 T CB -0.510 68.416 68.868 0.098 0.000 0.921 93 T HN 0.597 nan 8.240 nan 0.000 0.510 94 T N -1.344 113.246 114.554 0.059 0.000 3.091 94 T HA 0.413 4.761 4.350 -0.003 0.000 0.277 94 T C 0.126 174.866 174.700 0.066 0.000 0.996 94 T CA -0.446 61.697 62.100 0.071 0.000 0.897 94 T CB -0.050 68.855 68.868 0.061 0.000 1.109 94 T HN 0.153 nan 8.240 nan 0.000 0.534 95 V N 3.029 122.975 119.914 0.053 0.000 2.368 95 V HA 0.370 4.488 4.120 -0.003 0.000 0.266 95 V C 0.368 176.503 176.094 0.068 0.000 1.045 95 V CA -0.526 61.807 62.300 0.055 0.000 0.899 95 V CB 0.670 32.513 31.823 0.033 0.000 1.006 95 V HN 0.465 nan 8.190 nan 0.000 0.470 96 S N 4.312 120.070 115.700 0.097 0.000 2.533 96 S HA 0.221 4.690 4.470 -0.003 0.000 0.282 96 S C 0.204 174.861 174.600 0.096 0.000 1.304 96 S CA -0.471 57.800 58.200 0.119 0.000 1.063 96 S CB 1.092 64.389 63.200 0.162 0.000 0.881 96 S HN 0.487 nan 8.310 nan 0.000 0.493 97 V N 4.690 124.652 119.914 0.081 0.000 2.599 97 V HA 0.172 4.290 4.120 -0.003 0.000 0.300 97 V C 0.977 177.111 176.094 0.068 0.000 1.034 97 V CA -0.021 62.312 62.300 0.054 0.000 1.115 97 V CB 0.161 32.005 31.823 0.035 0.000 0.934 97 V HN 1.030 nan 8.190 nan 0.000 0.485 98 T N 0.802 115.386 114.554 0.049 0.000 2.940 98 T HA 0.426 4.774 4.350 -0.003 0.000 0.288 98 T C -0.502 174.214 174.700 0.027 0.000 1.033 98 T CA -0.925 61.202 62.100 0.045 0.000 1.033 98 T CB 1.652 70.547 68.868 0.045 0.000 1.079 98 T HN 0.533 nan 8.240 nan 0.000 0.496 99 D N 0.222 120.637 120.400 0.025 0.000 2.417 99 D HA 0.397 5.036 4.640 -0.003 0.000 0.250 99 D C 1.571 177.877 176.300 0.009 0.000 1.166 99 D CA 1.584 55.592 54.000 0.013 0.000 0.881 99 D CB 0.005 40.814 40.800 0.015 0.000 1.164 99 D HN 1.094 nan 8.370 nan 0.000 0.467 100 G N 3.186 111.985 108.800 -0.002 0.000 2.153 100 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.252 100 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.252 100 G C 0.522 175.418 174.900 -0.006 0.000 0.994 100 G CA 0.329 45.426 45.100 -0.005 0.000 0.698 100 G HN 0.627 nan 8.290 nan 0.000 0.521 101 L N 0.149 121.369 121.223 -0.005 0.000 2.525 101 L HA 0.411 4.750 4.340 -0.003 0.000 0.278 101 L C 0.359 177.219 176.870 -0.016 0.000 1.218 101 L CA -0.026 54.809 54.840 -0.008 0.000 0.878 101 L CB 0.472 42.530 42.059 -0.001 0.000 1.127 101 L HN 0.260 nan 8.230 nan 0.000 0.492 102 N N 3.488 122.176 118.700 -0.019 0.000 2.407 102 N HA 0.692 5.430 4.740 -0.003 0.000 0.277 102 N C -1.400 174.096 175.510 -0.024 0.000 0.995 102 N CA -0.192 52.844 53.050 -0.022 0.000 0.903 102 N CB 1.744 40.218 38.487 -0.022 0.000 1.218 102 N HN 0.735 nan 8.380 nan 0.000 0.487 103 A N 2.110 124.914 122.820 -0.025 0.000 2.386 103 A HA 0.717 5.036 4.320 -0.003 0.000 0.311 103 A C -0.832 176.734 177.584 -0.030 0.000 1.068 103 A CA -0.600 51.421 52.037 -0.027 0.000 0.743 103 A CB 1.161 20.145 19.000 -0.027 0.000 1.258 103 A HN 0.529 nan 8.150 nan 0.000 0.429 104 T N 2.704 117.239 114.554 -0.031 0.000 2.792 104 T HA 0.473 4.821 4.350 -0.003 0.000 0.280 104 T C -0.173 174.505 174.700 -0.036 0.000 0.990 104 T CA -0.239 61.841 62.100 -0.033 0.000 0.960 104 T CB 0.627 69.475 68.868 -0.032 0.000 0.939 104 T HN 0.473 nan 8.240 nan 0.000 0.439 105 L N 4.173 125.373 121.223 -0.039 0.000 2.418 105 L HA 0.314 4.652 4.340 -0.003 0.000 0.274 105 L C 0.184 177.026 176.870 -0.048 0.000 1.135 105 L CA -0.278 54.536 54.840 -0.043 0.000 0.870 105 L CB 0.059 42.092 42.059 -0.044 0.000 1.154 105 L HN 0.391 nan 8.230 nan 0.000 0.462 106 L N 2.477 123.668 121.223 -0.052 0.000 2.400 106 L HA 0.382 4.720 4.340 -0.003 0.000 0.264 106 L C 0.527 177.352 176.870 -0.075 0.000 1.061 106 L CA -0.363 54.441 54.840 -0.061 0.000 0.799 106 L CB 1.470 43.493 42.059 -0.060 0.000 1.240 106 L HN 0.535 nan 8.230 nan 0.000 0.461 107 S N 0.365 116.011 115.700 -0.090 0.000 2.384 107 S HA 0.389 4.857 4.470 -0.003 0.000 0.227 107 S C 0.714 175.223 174.600 -0.153 0.000 1.257 107 S CA 0.201 58.330 58.200 -0.118 0.000 1.249 107 S CB 0.772 63.901 63.200 -0.118 0.000 1.018 107 S HN 1.055 nan 8.310 nan 0.000 0.478 108 G N 1.041 109.764 108.800 -0.129 0.000 2.195 108 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.246 108 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.246 108 G C -0.298 174.533 174.900 -0.115 0.000 0.984 108 G CA -0.002 45.015 45.100 -0.138 0.000 0.633 108 G HN 0.538 nan 8.290 nan 0.000 0.525 109 L N 1.668 122.828 121.223 -0.104 0.000 2.376 109 L HA 0.798 5.136 4.340 -0.003 0.000 0.275 109 L C 0.754 177.585 176.870 -0.065 0.000 0.987 109 L CA 0.199 54.992 54.840 -0.079 0.000 0.828 109 L CB 1.376 43.388 42.059 -0.080 0.000 1.249 109 L HN 0.408 nan 8.230 nan 0.000 0.409 110 G N 3.403 112.167 108.800 -0.060 0.000 2.547 110 G HA2 0.566 4.525 3.960 -0.003 0.000 0.291 110 G HA3 0.566 4.525 3.960 -0.003 0.000 0.291 110 G C -1.264 173.603 174.900 -0.055 0.000 1.211 110 G CA -0.487 44.578 45.100 -0.059 0.000 0.950 110 G HN 0.472 nan 8.290 nan 0.000 0.504 111 V N 0.525 120.407 119.914 -0.054 0.000 2.483 111 V HA 0.328 4.447 4.120 -0.003 0.000 0.297 111 V C -0.037 176.023 176.094 -0.056 0.000 1.027 111 V CA -0.564 61.706 62.300 -0.049 0.000 0.855 111 V CB 1.441 33.240 31.823 -0.040 0.000 0.995 111 V HN 0.557 nan 8.190 nan 0.000 0.424 112 L N 3.489 124.676 121.223 -0.061 0.000 2.331 112 L HA 0.390 4.729 4.340 -0.003 0.000 0.278 112 L C 0.433 177.275 176.870 -0.047 0.000 1.106 112 L CA -0.217 54.583 54.840 -0.068 0.000 0.824 112 L CB 0.661 42.670 42.059 -0.083 0.000 1.142 112 L HN 0.590 nan 8.230 nan 0.000 0.443 113 D N 4.742 125.117 120.400 -0.041 0.000 2.371 113 D HA 0.084 4.722 4.640 -0.003 0.000 0.256 113 D C -1.557 174.730 176.300 -0.021 0.000 1.193 113 D CA -1.337 52.647 54.000 -0.027 0.000 0.881 113 D CB 1.640 42.427 40.800 -0.021 0.000 1.143 113 D HN 0.277 nan 8.370 nan 0.000 0.473 114 P HA 0.027 nan 4.420 nan 0.000 0.229 114 P C -0.062 177.238 177.300 -0.001 0.000 1.160 114 P CA 0.096 63.191 63.100 -0.009 0.000 0.777 114 P CB 0.295 31.991 31.700 -0.007 0.000 0.814 115 S N 0.946 116.647 115.700 0.001 0.000 2.560 115 S HA 0.036 4.504 4.470 -0.003 0.000 0.284 115 S C 0.400 175.010 174.600 0.017 0.000 1.327 115 S CA -0.226 57.980 58.200 0.009 0.000 1.055 115 S CB 0.140 63.345 63.200 0.009 0.000 0.868 115 S HN 0.181 nan 8.310 nan 0.000 0.506 116 E N 1.618 121.833 120.200 0.025 0.000 2.392 116 E HA -0.011 4.337 4.350 -0.003 0.000 0.264 116 E C -0.443 176.188 176.600 0.051 0.000 1.024 116 E CA -0.163 56.260 56.400 0.038 0.000 0.903 116 E CB 0.434 30.158 29.700 0.040 0.000 0.963 116 E HN 0.425 nan 8.360 nan 0.000 0.432 117 D N 3.482 123.926 120.400 0.074 0.000 2.325 117 D HA 0.071 4.709 4.640 -0.003 0.000 0.251 117 D C -1.630 174.738 176.300 0.113 0.000 1.196 117 D CA -1.993 52.070 54.000 0.105 0.000 0.866 117 D CB 0.994 41.892 40.800 0.162 0.000 1.101 117 D HN 0.149 nan 8.370 nan 0.000 0.476 118 P HA 0.224 nan 4.420 nan 0.000 0.255 118 P C -0.055 177.288 177.300 0.073 0.000 1.248 118 P CA -0.256 62.894 63.100 0.082 0.000 0.807 118 P CB 0.197 31.938 31.700 0.068 0.000 1.150 119 A N 0.404 123.253 122.820 0.048 0.000 2.406 119 A HA 0.206 4.524 4.320 -0.003 0.000 0.243 119 A C -0.694 176.763 177.584 -0.212 0.000 1.082 119 A CA -0.115 51.858 52.037 -0.106 0.000 0.786 119 A CB -0.268 18.583 19.000 -0.248 0.000 1.029 119 A HN 0.246 nan 8.150 nan 0.000 0.495 120 Y N 0.585 120.637 120.300 -0.414 0.000 2.341 120 Y HA 0.589 5.137 4.550 -0.003 0.000 0.337 120 Y C -1.426 174.192 175.900 -0.470 0.000 1.014 120 Y CA -0.411 57.522 58.100 -0.279 0.000 1.111 120 Y CB 1.055 39.438 38.460 -0.128 0.000 1.194 120 Y HN 0.566 nan 8.280 nan 0.000 0.462 121 Y N 4.691 124.875 120.300 -0.193 0.000 2.409 121 Y HA 0.420 4.969 4.550 -0.003 0.000 0.343 121 Y C -0.616 175.176 175.900 -0.180 0.000 0.973 121 Y CA -0.950 57.115 58.100 -0.057 0.000 1.064 121 Y CB 1.627 40.094 38.460 0.010 0.000 1.207 121 Y HN 0.708 nan 8.280 nan 0.000 0.452 122 D N -0.943 119.557 120.400 0.166 0.000 2.744 122 D HA 0.459 5.097 4.640 -0.003 0.000 0.304 122 D C -1.446 175.074 176.300 0.366 0.000 1.179 122 D CA -0.695 53.383 54.000 0.130 0.000 1.024 122 D CB 1.247 42.093 40.800 0.076 0.000 1.453 122 D HN 0.408 nan 8.370 nan 0.000 0.529 123 H N -1.921 117.146 119.070 -0.005 0.000 2.768 123 H HA 0.710 5.265 4.556 -0.003 0.000 0.371 123 H C -0.618 174.614 175.328 -0.160 0.000 1.151 123 H CA -0.822 55.203 56.048 -0.037 0.000 1.165 123 H CB 1.860 31.665 29.762 0.071 0.000 1.722 123 H HN 0.474 nan 8.280 nan 0.000 0.543 124 V N -0.415 119.344 119.914 -0.258 0.000 2.962 124 V HA 0.634 4.753 4.120 -0.003 0.000 0.313 124 V C -0.901 175.000 176.094 -0.322 0.000 1.099 124 V CA -0.821 61.286 62.300 -0.322 0.000 0.971 124 V CB 2.269 33.659 31.823 -0.721 0.000 1.028 124 V HN 0.803 nan 8.190 nan 0.000 0.430 125 H N 2.316 121.350 119.070 -0.059 0.000 2.646 125 H HA 0.804 5.358 4.556 -0.003 0.000 0.328 125 H C -0.150 175.242 175.328 0.105 0.000 0.998 125 H CA -0.188 55.882 56.048 0.038 0.000 1.225 125 H CB 1.824 31.587 29.762 0.002 0.000 1.457 125 H HN 0.971 nan 8.280 nan 0.000 0.505 126 V N 0.114 120.175 119.914 0.245 0.000 3.102 126 V HA 0.616 4.734 4.120 -0.003 0.000 0.312 126 V C -0.567 175.682 176.094 0.258 0.000 1.135 126 V CA -0.957 61.517 62.300 0.290 0.000 1.022 126 V CB 2.194 34.211 31.823 0.324 0.000 1.056 126 V HN 0.682 nan 8.190 nan 0.000 0.436 127 H N 0.152 119.304 119.070 0.137 0.000 2.533 127 H HA 0.892 5.446 4.556 -0.003 0.000 0.343 127 H C -0.012 175.370 175.328 0.089 0.000 1.160 127 H CA 0.170 56.286 56.048 0.113 0.000 1.218 127 H CB 1.944 31.768 29.762 0.104 0.000 1.566 127 H HN 1.060 nan 8.280 nan 0.000 0.522 128 T N -0.328 114.328 114.554 0.171 0.000 2.843 128 T HA 0.170 4.519 4.350 -0.003 0.000 0.302 128 T C 0.044 174.795 174.700 0.086 0.000 1.232 128 T CA -0.616 61.544 62.100 0.099 0.000 1.009 128 T CB 1.149 70.042 68.868 0.042 0.000 1.254 128 T HN 0.569 nan 8.240 nan 0.000 0.504 129 D N 0.458 120.887 120.400 0.048 0.000 2.197 129 D HA 0.151 4.790 4.640 -0.003 0.000 0.212 129 D C 0.396 176.718 176.300 0.036 0.000 0.963 129 D CA 1.133 55.171 54.000 0.064 0.000 0.864 129 D CB 0.351 41.182 40.800 0.051 0.000 1.009 129 D HN 0.274 nan 8.370 nan 0.000 0.479 130 V N 2.054 121.960 119.914 -0.013 0.000 2.443 130 V HA 0.268 4.386 4.120 -0.003 0.000 0.293 130 V C -0.672 175.395 176.094 -0.046 0.000 1.021 130 V CA -0.922 61.361 62.300 -0.029 0.000 0.848 130 V CB 2.275 34.060 31.823 -0.063 0.000 0.998 130 V HN -0.037 nan 8.190 nan 0.000 0.424 131 L N 6.959 128.159 121.223 -0.038 0.000 2.272 131 L HA 0.721 5.060 4.340 -0.003 0.000 0.289 131 L C -0.465 176.365 176.870 -0.066 0.000 1.032 131 L CA 0.133 54.935 54.840 -0.063 0.000 0.810 131 L CB 1.613 43.632 42.059 -0.067 0.000 1.205 131 L HN 0.446 nan 8.230 nan 0.000 0.422 132 V N 5.962 125.824 119.914 -0.086 0.000 2.398 132 V HA 0.443 4.562 4.120 -0.003 0.000 0.286 132 V C -0.289 175.748 176.094 -0.095 0.000 1.026 132 V CA -0.702 61.547 62.300 -0.085 0.000 0.868 132 V CB 1.601 33.366 31.823 -0.096 0.000 0.982 132 V HN 0.524 nan 8.190 nan 0.000 0.443 133 V N 4.137 123.997 119.914 -0.090 0.000 2.328 133 V HA 0.893 5.012 4.120 -0.003 0.000 0.278 133 V C 0.568 176.604 176.094 -0.096 0.000 1.021 133 V CA 0.233 62.471 62.300 -0.103 0.000 0.838 133 V CB 0.561 32.312 31.823 -0.120 0.000 0.999 133 V HN 1.313 nan 8.190 nan 0.000 0.447 134 G N 3.998 112.748 108.800 -0.082 0.000 2.906 134 G HA2 0.361 4.319 3.960 -0.003 0.000 0.686 134 G HA3 0.361 4.319 3.960 -0.003 0.000 0.686 134 G C -0.265 174.603 174.900 -0.054 0.000 1.170 134 G CA -0.220 44.842 45.100 -0.064 0.000 0.775 134 G HN 1.522 nan 8.290 nan 0.000 0.630 135 A N 1.323 124.125 122.820 -0.030 0.000 2.749 135 A HA 0.805 5.123 4.320 -0.003 0.000 0.299 135 A C 1.268 178.853 177.584 0.002 0.000 1.105 135 A CA 1.108 53.127 52.037 -0.030 0.000 0.987 135 A CB -0.133 18.860 19.000 -0.011 0.000 1.180 135 A HN 2.179 nan 8.150 nan 0.000 0.528 136 G N 0.358 109.158 108.800 -0.000 0.000 2.516 136 G HA2 0.421 4.380 3.960 -0.003 0.000 0.276 136 G HA3 0.421 4.380 3.960 -0.003 0.000 0.276 136 G C -0.747 174.180 174.900 0.044 0.000 1.390 136 G CA -0.640 44.468 45.100 0.014 0.000 1.050 136 G HN 0.110 nan 8.290 nan 0.000 0.519 137 P HA -0.181 nan 4.420 nan 0.000 0.216 137 P C 1.950 179.271 177.300 0.034 0.000 1.153 137 P CA 2.342 65.462 63.100 0.033 0.000 0.858 137 P CB -0.069 31.568 31.700 -0.105 0.000 0.789 138 A N 0.513 123.324 122.820 -0.015 0.000 1.858 138 A HA -0.084 4.234 4.320 -0.003 0.000 0.216 138 A C 2.691 180.272 177.584 -0.005 0.000 1.190 138 A CA 2.315 54.341 52.037 -0.019 0.000 0.617 138 A CB -1.974 16.998 19.000 -0.046 0.000 0.827 138 A HN 0.305 nan 8.150 nan 0.000 0.443 139 G N -0.667 108.122 108.800 -0.018 0.000 2.443 139 G HA2 -0.074 3.884 3.960 -0.003 0.000 0.219 139 G HA3 -0.074 3.884 3.960 -0.003 0.000 0.219 139 G C 1.544 176.419 174.900 -0.041 0.000 1.131 139 G CA 0.922 45.998 45.100 -0.039 0.000 0.775 139 G HN 0.414 nan 8.290 nan 0.000 0.547 140 L N 0.464 121.691 121.223 0.007 0.000 2.056 140 L HA -0.008 4.330 4.340 -0.003 0.000 0.207 140 L C 3.382 180.282 176.870 0.049 0.000 1.078 140 L CA 1.020 55.860 54.840 -0.001 0.000 0.749 140 L CB -0.326 41.794 42.059 0.101 0.000 0.901 140 L HN 0.293 nan 8.230 nan 0.000 0.433 141 A N -0.112 122.819 122.820 0.185 0.000 1.902 141 A HA -0.160 4.158 4.320 -0.003 0.000 0.217 141 A C 2.498 180.106 177.584 0.040 0.000 1.181 141 A CA 1.681 53.821 52.037 0.172 0.000 0.623 141 A CB -0.697 18.400 19.000 0.161 0.000 0.818 141 A HN 0.403 nan 8.150 nan 0.000 0.443 142 A N -0.198 122.621 122.820 -0.001 0.000 1.902 142 A HA 0.182 4.500 4.320 -0.003 0.000 0.217 142 A C 2.481 180.023 177.584 -0.069 0.000 1.181 142 A CA 2.038 54.049 52.037 -0.043 0.000 0.623 142 A CB -0.927 18.040 19.000 -0.056 0.000 0.818 142 A HN 1.020 nan 8.150 nan 0.000 0.443 143 A N -0.630 122.139 122.820 -0.085 0.000 1.929 143 A HA -0.091 4.227 4.320 -0.003 0.000 0.216 143 A C 2.240 179.753 177.584 -0.118 0.000 1.176 143 A CA 1.457 53.422 52.037 -0.120 0.000 0.628 143 A CB -0.474 18.426 19.000 -0.167 0.000 0.816 143 A HN 0.520 nan 8.150 nan 0.000 0.444 144 R N -0.304 120.131 120.500 -0.109 0.000 2.080 144 R HA -0.159 4.179 4.340 -0.003 0.000 0.236 144 R C 1.977 178.233 176.300 -0.073 0.000 1.137 144 R CA 1.742 57.779 56.100 -0.104 0.000 0.943 144 R CB -0.220 30.021 30.300 -0.098 0.000 0.846 144 R HN 0.477 nan 8.270 nan 0.000 0.431 145 E N 0.180 120.350 120.200 -0.050 0.000 2.077 145 E HA -0.167 4.182 4.350 -0.003 0.000 0.193 145 E C 1.870 178.437 176.600 -0.055 0.000 0.989 145 E CA 1.341 57.716 56.400 -0.041 0.000 0.800 145 E CB -0.304 29.378 29.700 -0.030 0.000 0.746 145 E HN 0.449 nan 8.360 nan 0.000 0.452 146 A N 0.965 123.741 122.820 -0.074 0.000 1.930 146 A HA -0.157 4.162 4.320 -0.003 0.000 0.217 146 A C 2.422 179.941 177.584 -0.107 0.000 1.175 146 A CA 1.863 53.848 52.037 -0.087 0.000 0.627 146 A CB -0.567 18.372 19.000 -0.100 0.000 0.815 146 A HN 0.250 nan 8.150 nan 0.000 0.443 147 S N -0.417 115.219 115.700 -0.107 0.000 2.356 147 S HA -0.182 4.287 4.470 -0.003 0.000 0.223 147 S C 2.124 176.664 174.600 -0.100 0.000 1.032 147 S CA 1.432 59.563 58.200 -0.115 0.000 1.005 147 S CB -0.340 62.794 63.200 -0.110 0.000 0.867 147 S HN 0.617 nan 8.310 nan 0.000 0.449 148 R N 0.900 121.356 120.500 -0.074 0.000 2.241 148 R HA -0.036 4.302 4.340 -0.003 0.000 0.224 148 R C 2.535 178.816 176.300 -0.033 0.000 1.101 148 R CA 1.335 57.404 56.100 -0.050 0.000 0.995 148 R CB -0.378 29.900 30.300 -0.037 0.000 0.870 148 R HN 0.637 nan 8.270 nan 0.000 0.463 149 S N -0.925 114.753 115.700 -0.037 0.000 2.481 149 S HA 0.027 4.495 4.470 -0.003 0.000 0.231 149 S C 1.550 176.158 174.600 0.014 0.000 0.996 149 S CA 0.727 58.938 58.200 0.017 0.000 0.942 149 S CB 0.368 63.595 63.200 0.046 0.000 0.768 149 S HN 0.495 nan 8.310 nan 0.000 0.520 150 G N 0.580 109.305 108.800 -0.124 0.000 2.176 150 G HA2 -0.070 3.888 3.960 -0.003 0.000 0.232 150 G HA3 -0.070 3.888 3.960 -0.003 0.000 0.232 150 G C 0.289 174.763 174.900 -0.710 0.000 0.986 150 G CA -0.000 44.979 45.100 -0.201 0.000 0.643 150 G HN 1.254 nan 8.290 nan 0.000 0.522 151 A N 0.258 122.525 122.820 -0.923 0.000 2.406 151 A HA 0.663 4.981 4.320 -0.003 0.000 0.243 151 A C 0.862 178.101 177.584 -0.576 0.000 1.082 151 A CA 0.035 51.323 52.037 -1.247 0.000 0.786 151 A CB 0.251 18.873 19.000 -0.630 0.000 1.029 151 A HN 0.488 nan 8.150 nan 0.000 0.495 152 R N 0.076 120.331 120.500 -0.409 0.000 2.401 152 R HA 0.396 4.734 4.340 -0.003 0.000 0.299 152 R C -1.155 175.064 176.300 -0.134 0.000 1.064 152 R CA 0.001 55.993 56.100 -0.181 0.000 1.000 152 R CB 0.494 30.751 30.300 -0.073 0.000 0.973 152 R HN 0.412 nan 8.270 nan 0.000 0.438 153 V N 5.171 125.019 119.914 -0.110 0.000 2.760 153 V HA 0.417 4.535 4.120 -0.003 0.000 0.309 153 V C -0.266 175.776 176.094 -0.087 0.000 1.077 153 V CA -0.755 61.484 62.300 -0.102 0.000 0.910 153 V CB 2.182 33.932 31.823 -0.121 0.000 1.008 153 V HN 0.713 nan 8.190 nan 0.000 0.424 154 M N 5.208 124.752 119.600 -0.093 0.000 2.321 154 M HA 0.587 5.065 4.480 -0.003 0.000 0.315 154 M C -1.471 174.754 176.300 -0.125 0.000 1.052 154 M CA -0.693 54.537 55.300 -0.117 0.000 0.936 154 M CB 2.235 34.749 32.600 -0.143 0.000 1.639 154 M HN 0.469 nan 8.290 nan 0.000 0.433 155 L N 4.938 126.087 121.223 -0.122 0.000 2.319 155 L HA 0.661 5.000 4.340 -0.003 0.000 0.281 155 L C -1.884 174.946 176.870 -0.067 0.000 1.005 155 L CA -0.416 54.350 54.840 -0.123 0.000 0.828 155 L CB 1.060 42.984 42.059 -0.225 0.000 1.227 155 L HN 0.552 nan 8.230 nan 0.000 0.415 156 L N 4.743 125.908 121.223 -0.097 0.000 2.346 156 L HA 0.673 5.011 4.340 -0.003 0.000 0.276 156 L C -0.713 176.126 176.870 -0.052 0.000 1.006 156 L CA -0.273 54.510 54.840 -0.096 0.000 0.817 156 L CB 1.819 43.775 42.059 -0.172 0.000 1.272 156 L HN 0.661 nan 8.230 nan 0.000 0.421 157 D N -0.515 119.875 120.400 -0.017 0.000 2.859 157 D HA 0.265 4.903 4.640 -0.003 0.000 0.223 157 D C 0.334 176.641 176.300 0.011 0.000 1.218 157 D CA -0.368 53.634 54.000 0.003 0.000 0.850 157 D CB 1.649 42.470 40.800 0.035 0.000 1.656 157 D HN 0.672 nan 8.370 nan 0.000 0.484 158 E N 2.219 122.440 120.200 0.035 0.000 2.358 158 E HA 0.041 4.389 4.350 -0.003 0.000 0.195 158 E C 0.116 176.745 176.600 0.048 0.000 1.010 158 E CA 0.183 56.620 56.400 0.060 0.000 0.856 158 E CB 0.394 30.165 29.700 0.118 0.000 0.795 158 E HN 0.266 nan 8.360 nan 0.000 0.504 159 R N 0.845 121.368 120.500 0.038 0.000 2.546 159 R HA 0.184 4.522 4.340 -0.003 0.000 0.266 159 R C -1.751 174.545 176.300 -0.006 0.000 1.086 159 R CA -1.802 54.316 56.100 0.030 0.000 1.160 159 R CB 0.007 30.328 30.300 0.034 0.000 1.138 159 R HN -0.091 nan 8.270 nan 0.000 0.567 160 P HA -0.166 nan 4.420 nan 0.000 0.218 160 P C -0.576 176.691 177.300 -0.055 0.000 1.149 160 P CA 1.410 64.479 63.100 -0.053 0.000 0.817 160 P CB 0.249 31.940 31.700 -0.016 0.000 0.785 161 E N -2.022 118.163 120.200 -0.026 0.000 2.408 161 E HA 0.653 5.002 4.350 -0.003 0.000 0.275 161 E C -1.105 175.508 176.600 0.022 0.000 0.935 161 E CA -1.399 54.993 56.400 -0.014 0.000 0.775 161 E CB 1.290 30.980 29.700 -0.016 0.000 1.277 161 E HN -0.146 nan 8.360 nan 0.000 0.455 162 A N 0.221 123.082 122.820 0.069 0.000 2.429 162 A HA 0.538 4.856 4.320 -0.003 0.000 0.242 162 A C 1.130 178.740 177.584 0.044 0.000 1.088 162 A CA 0.766 52.856 52.037 0.088 0.000 0.784 162 A CB -0.371 18.702 19.000 0.123 0.000 1.038 162 A HN 1.391 nan 8.150 nan 0.000 0.501 163 G N -1.046 107.780 108.800 0.043 0.000 2.480 163 G HA2 0.297 4.256 3.960 -0.003 0.000 0.193 163 G HA3 0.297 4.256 3.960 -0.003 0.000 0.193 163 G C 1.721 176.637 174.900 0.027 0.000 1.004 163 G CA 0.778 45.907 45.100 0.049 0.000 0.696 163 G HN 2.743 nan 8.290 nan 0.000 0.478 164 G N -0.101 108.708 108.800 0.016 0.000 2.634 164 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.309 164 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.309 164 G C 1.173 176.071 174.900 -0.003 0.000 1.265 164 G CA 1.893 46.999 45.100 0.009 0.000 0.998 164 G HN 1.334 nan 8.290 nan 0.000 0.551 165 T N 1.601 116.150 114.554 -0.008 0.000 3.007 165 T HA 0.090 4.438 4.350 -0.003 0.000 0.270 165 T C 2.497 177.179 174.700 -0.030 0.000 1.107 165 T CA 1.448 63.538 62.100 -0.017 0.000 1.118 165 T CB -0.181 68.673 68.868 -0.023 0.000 0.889 165 T HN 0.415 nan 8.240 nan 0.000 0.506 166 L N 0.518 121.725 121.223 -0.025 0.000 2.127 166 L HA -0.104 4.235 4.340 -0.003 0.000 0.211 166 L C 2.746 179.597 176.870 -0.031 0.000 1.089 166 L CA 0.964 55.789 54.840 -0.025 0.000 0.757 166 L CB -0.481 41.578 42.059 0.000 0.000 0.899 166 L HN 0.066 nan 8.230 nan 0.000 0.434 167 R N 0.549 121.025 120.500 -0.040 0.000 2.152 167 R HA -0.113 4.225 4.340 -0.003 0.000 0.232 167 R C 1.698 177.936 176.300 -0.103 0.000 1.117 167 R CA 0.983 57.037 56.100 -0.076 0.000 0.981 167 R CB -0.494 29.747 30.300 -0.098 0.000 0.870 167 R HN 0.558 nan 8.270 nan 0.000 0.451 168 E N 0.051 120.202 120.200 -0.082 0.000 2.478 168 E HA 0.172 4.520 4.350 -0.003 0.000 0.194 168 E C 0.335 176.906 176.600 -0.047 0.000 1.045 168 E CA 0.045 56.398 56.400 -0.077 0.000 0.868 168 E CB 0.466 30.132 29.700 -0.056 0.000 0.885 168 E HN 0.180 nan 8.360 nan 0.000 0.505 169 A N 1.146 123.940 122.820 -0.042 0.000 2.312 169 A HA 0.707 5.026 4.320 -0.003 0.000 0.310 169 A C -0.095 177.471 177.584 -0.029 0.000 1.139 169 A CA -0.312 51.706 52.037 -0.032 0.000 0.886 169 A CB 1.546 20.524 19.000 -0.038 0.000 1.350 169 A HN 0.078 nan 8.150 nan 0.000 0.479 170 S N -2.338 113.348 115.700 -0.023 0.000 2.636 170 S HA 0.571 5.039 4.470 -0.003 0.000 0.268 170 S C 0.474 175.063 174.600 -0.019 0.000 1.159 170 S CA 0.526 58.714 58.200 -0.020 0.000 0.815 170 S CB 0.677 63.869 63.200 -0.014 0.000 1.130 170 S HN 2.741 nan 8.310 nan 0.000 0.471 171 G N 0.310 109.099 108.800 -0.018 0.000 2.168 171 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.263 171 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.263 171 G C -0.135 174.748 174.900 -0.029 0.000 0.977 171 G CA 0.789 45.877 45.100 -0.019 0.000 0.659 171 G HN 1.036 nan 8.290 nan 0.000 0.533 172 E N 0.409 120.586 120.200 -0.039 0.000 2.158 172 E HA 0.512 4.861 4.350 -0.003 0.000 0.271 172 E C 0.268 176.828 176.600 -0.066 0.000 0.911 172 E CA -0.588 55.777 56.400 -0.058 0.000 0.767 172 E CB 0.609 30.265 29.700 -0.073 0.000 1.120 172 E HN 0.449 nan 8.360 nan 0.000 0.405 173 Q N 3.215 122.970 119.800 -0.075 0.000 2.214 173 Q HA 0.511 4.849 4.340 -0.003 0.000 0.251 173 Q C -0.442 175.466 176.000 -0.153 0.000 0.936 173 Q CA -0.678 55.077 55.803 -0.081 0.000 0.894 173 Q CB 1.997 30.704 28.738 -0.052 0.000 1.252 173 Q HN 0.545 nan 8.270 nan 0.000 0.448 174 I N 1.290 121.742 120.570 -0.196 0.000 2.498 174 I HA 0.151 4.320 4.170 -0.003 0.000 0.290 174 I C -0.617 175.365 176.117 -0.225 0.000 1.032 174 I CA -0.603 60.465 61.300 -0.388 0.000 1.073 174 I CB 1.908 39.346 38.000 -0.936 0.000 1.251 174 I HN 0.585 nan 8.210 nan 0.000 0.426 175 D N 4.856 125.152 120.400 -0.173 0.000 2.737 175 D HA -0.199 4.439 4.640 -0.003 0.000 0.233 175 D C 1.149 177.458 176.300 0.015 0.000 1.155 175 D CA 1.715 55.704 54.000 -0.018 0.000 0.667 175 D CB -0.923 39.953 40.800 0.127 0.000 1.060 175 D HN 1.180 nan 8.370 nan 0.000 0.427 176 G N -0.450 108.338 108.800 -0.020 0.000 2.155 176 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.257 176 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.257 176 G C 0.478 175.385 174.900 0.013 0.000 0.983 176 G CA 0.742 45.838 45.100 -0.006 0.000 0.676 176 G HN 0.822 nan 8.290 nan 0.000 0.528 177 I N -3.736 116.853 120.570 0.032 0.000 3.002 177 I HA 0.703 4.872 4.170 -0.003 0.000 0.310 177 I C -0.546 175.597 176.117 0.044 0.000 1.087 177 I CA -1.564 59.766 61.300 0.050 0.000 1.017 177 I CB 1.511 39.564 38.000 0.089 0.000 1.226 177 I HN -0.193 nan 8.210 nan 0.000 0.443 178 D N 2.658 123.082 120.400 0.041 0.000 2.472 178 D HA 0.108 4.747 4.640 -0.003 0.000 0.237 178 D C 1.146 177.489 176.300 0.072 0.000 1.141 178 D CA 0.535 54.555 54.000 0.034 0.000 0.875 178 D CB 1.589 42.404 40.800 0.024 0.000 1.192 178 D HN 0.752 nan 8.370 nan 0.000 0.450 179 A N 2.802 125.649 122.820 0.045 0.000 1.917 179 A HA -0.197 4.121 4.320 -0.003 0.000 0.219 179 A C 2.091 179.765 177.584 0.150 0.000 1.182 179 A CA 2.326 54.414 52.037 0.085 0.000 0.633 179 A CB -0.628 18.378 19.000 0.010 0.000 0.819 179 A HN 0.638 nan 8.150 nan 0.000 0.448 180 A N -0.824 122.045 122.820 0.082 0.000 1.902 180 A HA -0.231 4.088 4.320 -0.003 0.000 0.217 180 A C 2.127 179.751 177.584 0.066 0.000 1.181 180 A CA 1.690 53.764 52.037 0.061 0.000 0.623 180 A CB -0.570 18.443 19.000 0.022 0.000 0.818 180 A HN 0.683 nan 8.150 nan 0.000 0.443 181 Q N -2.213 117.631 119.800 0.074 0.000 2.084 181 Q HA -0.229 4.110 4.340 -0.003 0.000 0.202 181 Q C 1.956 178.008 176.000 0.086 0.000 0.978 181 Q CA 1.583 57.422 55.803 0.061 0.000 0.844 181 Q CB -0.270 28.503 28.738 0.060 0.000 0.898 181 Q HN 0.880 nan 8.270 nan 0.000 0.426 182 W N 1.467 122.750 121.300 -0.028 0.000 2.335 182 W HA -0.184 4.475 4.660 -0.003 0.000 0.311 182 W C 1.693 178.192 176.519 -0.033 0.000 1.213 182 W CA 1.425 58.751 57.345 -0.031 0.000 1.274 182 W CB -0.181 29.258 29.460 -0.034 0.000 1.148 182 W HN 0.015 nan 8.180 nan 0.000 0.498 183 I N 0.335 120.981 120.570 0.127 0.000 2.226 183 I HA -0.322 3.846 4.170 -0.003 0.000 0.245 183 I C 2.102 178.130 176.117 -0.148 0.000 1.100 183 I CA 1.760 63.043 61.300 -0.029 0.000 1.374 183 I CB -0.688 37.365 38.000 0.088 0.000 1.057 183 I HN -0.105 nan 8.210 nan 0.000 0.413 184 D N 1.061 121.411 120.400 -0.084 0.000 2.117 184 D HA -0.152 4.486 4.640 -0.003 0.000 0.197 184 D C 2.289 178.506 176.300 -0.138 0.000 0.987 184 D CA 1.623 55.573 54.000 -0.083 0.000 0.829 184 D CB -0.234 40.540 40.800 -0.044 0.000 0.961 184 D HN 0.345 nan 8.370 nan 0.000 0.460 185 A N 0.584 123.290 122.820 -0.190 0.000 1.883 185 A HA -0.164 4.154 4.320 -0.003 0.000 0.217 185 A C 2.559 179.952 177.584 -0.318 0.000 1.186 185 A CA 1.512 53.408 52.037 -0.234 0.000 0.624 185 A CB -0.814 18.033 19.000 -0.255 0.000 0.822 185 A HN 0.154 nan 8.150 nan 0.000 0.444 186 V N 0.553 120.163 119.914 -0.506 0.000 2.261 186 V HA -0.247 3.872 4.120 -0.003 0.000 0.246 186 V C 3.043 178.959 176.094 -0.297 0.000 1.047 186 V CA 2.530 64.526 62.300 -0.506 0.000 1.015 186 V CB -1.507 29.841 31.823 -0.791 0.000 0.642 186 V HN 0.848 nan 8.190 nan 0.000 0.446 187 T N -1.721 112.700 114.554 -0.222 0.000 2.788 187 T HA -0.226 4.122 4.350 -0.003 0.000 0.268 187 T C 1.642 176.311 174.700 -0.051 0.000 1.044 187 T CA 1.705 63.749 62.100 -0.093 0.000 1.139 187 T CB -0.427 68.454 68.868 0.022 0.000 0.867 187 T HN 0.562 nan 8.240 nan 0.000 0.454 188 E N 1.152 121.305 120.200 -0.079 0.000 2.058 188 E HA -0.174 4.175 4.350 -0.003 0.000 0.194 188 E C 2.317 178.874 176.600 -0.071 0.000 0.997 188 E CA 1.453 57.815 56.400 -0.063 0.000 0.801 188 E CB -0.183 29.476 29.700 -0.068 0.000 0.746 188 E HN 0.746 nan 8.360 nan 0.000 0.450 189 E N 0.807 120.943 120.200 -0.107 0.000 2.077 189 E HA -0.210 4.138 4.350 -0.003 0.000 0.193 189 E C 2.110 178.657 176.600 -0.089 0.000 0.989 189 E CA 0.850 57.189 56.400 -0.102 0.000 0.800 189 E CB -0.032 29.589 29.700 -0.131 0.000 0.746 189 E HN 0.228 nan 8.360 nan 0.000 0.452 190 L N 0.340 121.502 121.223 -0.102 0.000 2.083 190 L HA -0.160 4.178 4.340 -0.003 0.000 0.209 190 L C 2.695 179.545 176.870 -0.032 0.000 1.083 190 L CA 1.023 55.813 54.840 -0.083 0.000 0.752 190 L CB -0.532 41.455 42.059 -0.120 0.000 0.899 190 L HN 0.215 nan 8.230 nan 0.000 0.433 191 A N 0.085 122.897 122.820 -0.013 0.000 1.930 191 A HA -0.054 4.264 4.320 -0.003 0.000 0.217 191 A C 2.435 180.012 177.584 -0.013 0.000 1.175 191 A CA 1.525 53.563 52.037 0.001 0.000 0.627 191 A CB -0.501 18.500 19.000 0.002 0.000 0.815 191 A HN 0.384 nan 8.150 nan 0.000 0.443 192 A N -0.727 122.078 122.820 -0.026 0.000 2.169 192 A HA 0.551 4.869 4.320 -0.003 0.000 0.212 192 A C 1.307 178.874 177.584 -0.028 0.000 1.153 192 A CA 0.746 52.768 52.037 -0.026 0.000 0.756 192 A CB -0.625 18.356 19.000 -0.031 0.000 0.813 192 A HN 0.923 nan 8.150 nan 0.000 0.471 193 A N 0.027 122.826 122.820 -0.036 0.000 2.354 193 A HA 0.463 4.781 4.320 -0.003 0.000 0.281 193 A C 0.675 178.239 177.584 -0.033 0.000 1.174 193 A CA -0.036 51.976 52.037 -0.041 0.000 0.828 193 A CB 0.257 19.221 19.000 -0.059 0.000 1.099 193 A HN 0.439 nan 8.150 nan 0.000 0.516 194 E N 1.312 121.495 120.200 -0.029 0.000 2.274 194 E HA -0.083 4.265 4.350 -0.003 0.000 0.194 194 E C 0.606 177.193 176.600 -0.021 0.000 0.996 194 E CA 0.981 57.370 56.400 -0.019 0.000 0.840 194 E CB 0.258 29.950 29.700 -0.012 0.000 0.772 194 E HN 0.701 nan 8.360 nan 0.000 0.491 195 E N -0.009 120.165 120.200 -0.044 0.000 2.499 195 E HA 0.109 4.458 4.350 -0.003 0.000 0.199 195 E C -0.621 175.941 176.600 -0.064 0.000 1.016 195 E CA 0.115 56.482 56.400 -0.055 0.000 0.933 195 E CB 1.256 30.900 29.700 -0.093 0.000 1.050 195 E HN -0.018 nan 8.360 nan 0.000 0.462 196 T N 0.992 115.514 114.554 -0.053 0.000 2.797 196 T HA 0.403 4.751 4.350 -0.003 0.000 0.279 196 T C -0.093 174.592 174.700 -0.025 0.000 0.991 196 T CA -0.281 61.785 62.100 -0.056 0.000 0.979 196 T CB 1.803 70.630 68.868 -0.069 0.000 0.943 196 T HN -0.187 nan 8.240 nan 0.000 0.444 197 T N 2.960 117.496 114.554 -0.030 0.000 2.786 197 T HA 0.323 4.672 4.350 -0.003 0.000 0.283 197 T C -0.740 173.955 174.700 -0.008 0.000 0.992 197 T CA -0.571 61.516 62.100 -0.021 0.000 0.954 197 T CB 0.521 69.360 68.868 -0.047 0.000 0.934 197 T HN 0.679 nan 8.240 nan 0.000 0.440 198 H N 4.110 123.113 119.070 -0.111 0.000 2.595 198 H HA 0.529 5.084 4.556 -0.003 0.000 0.313 198 H C -1.088 174.162 175.328 -0.129 0.000 1.023 198 H CA -0.987 54.988 56.048 -0.121 0.000 1.218 198 H CB 0.527 30.232 29.762 -0.095 0.000 1.403 198 H HN 0.405 nan 8.280 nan 0.000 0.477 199 L N 5.492 126.683 121.223 -0.054 0.000 2.294 199 L HA 0.279 4.618 4.340 -0.003 0.000 0.283 199 L C -0.169 176.614 176.870 -0.146 0.000 1.015 199 L CA -0.799 53.927 54.840 -0.190 0.000 0.831 199 L CB 1.540 43.407 42.059 -0.319 0.000 1.217 199 L HN 0.570 nan 8.230 nan 0.000 0.420 200 Q N 2.466 122.139 119.800 -0.212 0.000 2.199 200 Q HA 0.386 4.724 4.340 -0.003 0.000 0.232 200 Q C 0.270 176.217 176.000 -0.089 0.000 0.969 200 Q CA -0.565 55.158 55.803 -0.133 0.000 0.925 200 Q CB 1.114 29.747 28.738 -0.174 0.000 1.198 200 Q HN 0.407 nan 8.270 nan 0.000 0.494 201 R N -1.041 119.423 120.500 -0.059 0.000 3.741 201 R HA -0.128 4.210 4.340 -0.003 0.000 0.292 201 R C -0.637 175.670 176.300 0.011 0.000 1.176 201 R CA 0.810 56.892 56.100 -0.030 0.000 0.794 201 R CB -2.305 27.949 30.300 -0.077 0.000 1.213 201 R HN 0.460 nan 8.270 nan 0.000 0.494 202 T N 0.335 114.888 114.554 -0.001 0.000 2.809 202 T HA 0.328 4.676 4.350 -0.003 0.000 0.284 202 T C -0.074 174.644 174.700 0.029 0.000 0.992 202 T CA -0.472 61.631 62.100 0.005 0.000 0.957 202 T CB 2.145 70.952 68.868 -0.100 0.000 0.942 202 T HN -0.026 nan 8.240 nan 0.000 0.439 203 T N 2.818 117.434 114.554 0.102 0.000 2.758 203 T HA 0.357 4.706 4.350 -0.003 0.000 0.285 203 T C 0.363 175.155 174.700 0.153 0.000 0.981 203 T CA -0.521 61.673 62.100 0.158 0.000 0.965 203 T CB 0.879 69.898 68.868 0.252 0.000 0.927 203 T HN 0.356 nan 8.240 nan 0.000 0.448 204 V N 6.082 126.020 119.914 0.040 0.000 2.397 204 V HA 0.120 4.238 4.120 -0.003 0.000 0.262 204 V C 0.728 176.852 176.094 0.050 0.000 1.047 204 V CA 0.115 62.384 62.300 -0.053 0.000 1.003 204 V CB -0.834 30.910 31.823 -0.131 0.000 1.037 204 V HN 0.954 nan 8.190 nan 0.000 0.480 205 F N 2.539 122.515 119.950 0.042 0.000 2.717 205 F HA 0.709 5.234 4.527 -0.003 0.000 0.297 205 F C 0.861 176.710 175.800 0.081 0.000 1.113 205 F CA -0.166 57.904 58.000 0.116 0.000 1.319 205 F CB 0.139 39.216 39.000 0.129 0.000 1.097 205 F HN 0.400 nan 8.300 nan 0.000 0.595 206 G N 0.055 108.675 108.800 -0.300 0.000 2.682 206 G HA2 0.466 4.425 3.960 -0.003 0.000 0.300 206 G HA3 0.466 4.425 3.960 -0.003 0.000 0.300 206 G C -1.789 172.815 174.900 -0.493 0.000 1.391 206 G CA -0.754 44.163 45.100 -0.305 0.000 0.990 206 G HN 0.159 nan 8.290 nan 0.000 0.501 207 S N 0.708 115.974 115.700 -0.724 0.000 2.707 207 S HA 0.774 5.242 4.470 -0.003 0.000 0.303 207 S C -1.269 172.977 174.600 -0.589 0.000 1.132 207 S CA -0.584 57.343 58.200 -0.455 0.000 1.046 207 S CB 0.332 63.384 63.200 -0.246 0.000 1.004 207 S HN 0.453 nan 8.310 nan 0.000 0.483 208 Y N 1.256 121.586 120.300 0.049 0.000 2.693 208 Y HA 0.441 4.989 4.550 -0.003 0.000 0.331 208 Y C 0.162 176.105 175.900 0.073 0.000 1.092 208 Y CA -1.296 56.852 58.100 0.079 0.000 1.131 208 Y CB 0.376 38.922 38.460 0.144 0.000 1.318 208 Y HN 0.491 nan 8.280 nan 0.000 0.510 209 D N 0.662 121.197 120.400 0.224 0.000 2.571 209 D HA 0.314 4.953 4.640 -0.003 0.000 0.231 209 D C 0.197 176.564 176.300 0.112 0.000 1.133 209 D CA 1.770 55.838 54.000 0.113 0.000 0.862 209 D CB 0.200 41.042 40.800 0.071 0.000 1.179 209 D HN 0.852 nan 8.370 nan 0.000 0.474 210 A N 3.409 126.272 122.820 0.073 0.000 2.687 210 A HA -0.310 4.008 4.320 -0.003 0.000 0.299 210 A C 0.518 178.163 177.584 0.103 0.000 1.497 210 A CA 0.487 52.567 52.037 0.071 0.000 0.751 210 A CB -1.917 17.118 19.000 0.058 0.000 1.048 210 A HN 0.712 nan 8.150 nan 0.000 0.464 211 N N -2.930 115.826 118.700 0.094 0.000 2.738 211 N HA -0.226 4.513 4.740 -0.003 0.000 0.249 211 N C -0.487 175.100 175.510 0.129 0.000 1.047 211 N CA 1.789 54.888 53.050 0.081 0.000 0.707 211 N CB -1.732 36.788 38.487 0.055 0.000 0.937 211 N HN 1.022 nan 8.380 nan 0.000 0.545 212 Y N 1.083 121.409 120.300 0.043 0.000 2.425 212 Y HA 0.435 4.984 4.550 -0.003 0.000 0.347 212 Y C 0.078 176.034 175.900 0.094 0.000 0.976 212 Y CA -0.739 57.399 58.100 0.064 0.000 1.190 212 Y CB 0.450 38.969 38.460 0.098 0.000 1.136 212 Y HN 0.060 nan 8.280 nan 0.000 0.517 213 I N 7.352 127.763 120.570 -0.264 0.000 2.493 213 I HA 0.301 4.469 4.170 -0.003 0.000 0.298 213 I C -0.778 175.083 176.117 -0.427 0.000 0.998 213 I CA -1.189 59.963 61.300 -0.247 0.000 1.137 213 I CB 1.550 39.426 38.000 -0.206 0.000 1.310 213 I HN 0.531 nan 8.210 nan 0.000 0.445 214 L N 4.890 125.844 121.223 -0.449 0.000 2.287 214 L HA 0.732 5.071 4.340 -0.003 0.000 0.287 214 L C 0.023 176.368 176.870 -0.874 0.000 1.022 214 L CA -0.063 54.318 54.840 -0.766 0.000 0.814 214 L CB 1.616 43.109 42.059 -0.943 0.000 1.217 214 L HN 0.782 nan 8.230 nan 0.000 0.420 215 A N 3.040 125.590 122.820 -0.450 0.000 2.401 215 A HA 0.934 5.252 4.320 -0.003 0.000 0.310 215 A C -0.945 176.790 177.584 0.252 0.000 1.075 215 A CA -0.534 51.443 52.037 -0.099 0.000 0.746 215 A CB 1.702 20.645 19.000 -0.093 0.000 1.277 215 A HN 0.676 nan 8.150 nan 0.000 0.425 216 A N 1.364 124.428 122.820 0.407 0.000 2.267 216 A HA 0.603 4.922 4.320 -0.003 0.000 0.315 216 A C -0.245 177.493 177.584 0.257 0.000 1.297 216 A CA -0.415 51.832 52.037 0.351 0.000 0.865 216 A CB 0.353 19.517 19.000 0.274 0.000 1.165 216 A HN 0.844 nan 8.150 nan 0.000 0.513 217 Q N 2.212 122.199 119.800 0.312 0.000 2.296 217 Q HA 0.415 4.753 4.340 -0.003 0.000 0.257 217 Q C -0.814 175.322 176.000 0.226 0.000 0.942 217 Q CA -0.752 55.199 55.803 0.246 0.000 0.939 217 Q CB 0.650 29.607 28.738 0.364 0.000 1.198 217 Q HN 0.580 nan 8.270 nan 0.000 0.429 218 R N 3.184 123.782 120.500 0.163 0.000 2.235 218 R HA 0.198 4.536 4.340 -0.003 0.000 0.338 218 R C 0.537 176.941 176.300 0.173 0.000 1.087 218 R CA 0.085 56.285 56.100 0.168 0.000 0.948 218 R CB 0.387 30.766 30.300 0.131 0.000 1.099 218 R HN 0.700 nan 8.270 nan 0.000 0.483 219 R N 0.157 120.781 120.500 0.206 0.000 2.090 219 R HA 0.012 4.350 4.340 -0.003 0.000 0.219 219 R C 0.863 177.326 176.300 0.272 0.000 1.100 219 R CA 1.499 57.727 56.100 0.213 0.000 0.991 219 R CB 0.344 30.758 30.300 0.190 0.000 0.893 219 R HN 0.588 nan 8.270 nan 0.000 0.443 220 T N -2.830 111.860 114.554 0.227 0.000 3.170 220 T HA 0.186 4.535 4.350 -0.003 0.000 0.288 220 T C 1.473 176.271 174.700 0.162 0.000 0.992 220 T CA -0.271 61.918 62.100 0.149 0.000 0.909 220 T CB 0.422 69.332 68.868 0.069 0.000 1.133 220 T HN -0.127 nan 8.240 nan 0.000 0.530 221 V N 2.861 122.928 119.914 0.256 0.000 2.469 221 V HA -0.158 3.960 4.120 -0.003 0.000 0.251 221 V C 2.630 178.846 176.094 0.203 0.000 1.064 221 V CA 2.046 64.470 62.300 0.206 0.000 1.066 221 V CB -0.939 30.997 31.823 0.187 0.000 0.667 221 V HN 0.837 nan 8.190 nan 0.000 0.461 222 H N -0.821 118.297 119.070 0.080 0.000 2.543 222 H HA 0.256 4.811 4.556 -0.003 0.000 0.269 222 H C 0.485 175.856 175.328 0.073 0.000 1.005 222 H CA -0.246 55.845 56.048 0.073 0.000 1.146 222 H CB -0.586 29.218 29.762 0.069 0.000 1.353 222 H HN 0.344 nan 8.280 nan 0.000 0.595 223 L N 1.209 122.262 121.223 -0.284 0.000 2.325 223 L HA 0.121 4.459 4.340 -0.003 0.000 0.279 223 L C 0.918 177.765 176.870 -0.039 0.000 1.054 223 L CA -0.646 54.044 54.840 -0.249 0.000 0.804 223 L CB 1.399 43.306 42.059 -0.254 0.000 1.200 223 L HN -0.033 nan 8.230 nan 0.000 0.436 224 D N 1.987 122.372 120.400 -0.026 0.000 2.144 224 D HA -0.022 4.616 4.640 -0.003 0.000 0.199 224 D C 0.924 177.270 176.300 0.076 0.000 0.984 224 D CA 1.130 55.150 54.000 0.034 0.000 0.834 224 D CB 0.250 41.059 40.800 0.015 0.000 0.955 224 D HN 0.703 nan 8.370 nan 0.000 0.465 225 G N 1.290 110.078 108.800 -0.020 0.000 2.965 225 G HA2 0.350 4.309 3.960 -0.003 0.000 0.301 225 G HA3 0.350 4.309 3.960 -0.003 0.000 0.301 225 G C -2.901 171.883 174.900 -0.194 0.000 1.878 225 G CA -0.820 44.197 45.100 -0.138 0.000 0.828 225 G HN -0.142 nan 8.290 nan 0.000 0.435 226 P HA 0.284 nan 4.420 nan 0.000 0.280 226 P C 0.948 178.134 177.300 -0.191 0.000 1.244 226 P CA -0.128 62.867 63.100 -0.175 0.000 0.784 226 P CB 1.715 33.343 31.700 -0.119 0.000 0.913 227 S N 2.264 117.887 115.700 -0.128 0.000 2.280 227 S HA 0.254 4.722 4.470 -0.003 0.000 0.204 227 S C 0.878 175.411 174.600 -0.113 0.000 1.402 227 S CA 0.289 58.422 58.200 -0.113 0.000 1.162 227 S CB -1.594 61.557 63.200 -0.081 0.000 0.673 227 S HN 0.883 nan 8.310 nan 0.000 0.428 228 G N 0.943 109.684 108.800 -0.098 0.000 2.527 228 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.183 228 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.183 228 G C -0.361 174.447 174.900 -0.153 0.000 0.167 228 G CA 0.468 45.499 45.100 -0.114 0.000 1.085 228 G HN 0.902 nan 8.290 nan 0.000 0.502 229 Q N 1.298 121.006 119.800 -0.153 0.000 2.337 229 Q HA 0.462 4.800 4.340 -0.003 0.000 0.270 229 Q C 1.626 177.419 176.000 -0.345 0.000 1.002 229 Q CA 1.325 57.005 55.803 -0.204 0.000 0.888 229 Q CB 0.306 28.962 28.738 -0.136 0.000 1.222 229 Q HN 2.171 nan 8.270 nan 0.000 0.400 230 G N 2.179 110.582 108.800 -0.661 0.000 2.168 230 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.263 230 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.263 230 G C -0.234 174.127 174.900 -0.898 0.000 0.977 230 G CA 0.227 44.599 45.100 -1.213 0.000 0.659 230 G HN 0.562 nan 8.290 nan 0.000 0.533 231 V N 2.417 122.039 119.914 -0.486 0.000 2.348 231 V HA 0.519 4.637 4.120 -0.003 0.000 0.270 231 V C 1.073 177.150 176.094 -0.029 0.000 1.037 231 V CA -0.143 62.051 62.300 -0.177 0.000 0.872 231 V CB 1.097 32.859 31.823 -0.102 0.000 1.002 231 V HN 0.826 nan 8.190 nan 0.000 0.464 232 S N 4.984 120.784 115.700 0.167 0.000 2.549 232 S HA 0.156 4.625 4.470 -0.003 0.000 0.286 232 S C 1.115 175.783 174.600 0.113 0.000 1.314 232 S CA -0.326 58.028 58.200 0.257 0.000 1.062 232 S CB 0.963 64.336 63.200 0.287 0.000 0.865 232 S HN 0.758 nan 8.310 nan 0.000 0.498 233 R N 1.982 122.484 120.500 0.004 0.000 2.073 233 R HA -0.017 4.322 4.340 -0.003 0.000 0.234 233 R C 0.149 176.549 176.300 0.166 0.000 1.134 233 R CA 1.279 57.399 56.100 0.034 0.000 0.952 233 R CB 0.085 30.323 30.300 -0.105 0.000 0.850 233 R HN 0.867 nan 8.270 nan 0.000 0.433 234 E N -0.706 119.645 120.200 0.252 0.000 2.367 234 E HA 0.296 4.644 4.350 -0.003 0.000 0.273 234 E C -1.363 175.435 176.600 0.330 0.000 0.903 234 E CA -0.945 55.648 56.400 0.322 0.000 0.764 234 E CB 2.496 32.427 29.700 0.384 0.000 1.252 234 E HN 0.057 nan 8.360 nan 0.000 0.446 235 R N 2.545 123.215 120.500 0.284 0.000 2.574 235 R HA 0.369 4.707 4.340 -0.003 0.000 0.288 235 R C -1.337 175.075 176.300 0.186 0.000 1.004 235 R CA -0.588 55.642 56.100 0.217 0.000 0.895 235 R CB 0.876 31.277 30.300 0.168 0.000 1.191 235 R HN 0.387 nan 8.270 nan 0.000 0.444 236 I N 4.363 124.941 120.570 0.014 0.000 2.304 236 I HA 0.234 4.402 4.170 -0.003 0.000 0.291 236 I C -0.521 175.474 176.117 -0.204 0.000 1.018 236 I CA -0.735 60.488 61.300 -0.130 0.000 1.260 236 I CB 0.437 38.104 38.000 -0.555 0.000 1.390 236 I HN 0.591 nan 8.210 nan 0.000 0.475 237 W N 5.452 126.634 121.300 -0.196 0.000 2.351 237 W HA 0.331 4.989 4.660 -0.003 0.000 0.311 237 W C 0.098 176.375 176.519 -0.404 0.000 1.168 237 W CA -0.079 57.157 57.345 -0.182 0.000 1.200 237 W CB 0.365 29.749 29.460 -0.126 0.000 1.221 237 W HN 0.382 nan 8.180 nan 0.000 0.519 238 H N 3.659 122.586 119.070 -0.239 0.000 2.595 238 H HA 0.491 5.045 4.556 -0.003 0.000 0.313 238 H C -0.455 174.684 175.328 -0.315 0.000 1.023 238 H CA -0.593 55.196 56.048 -0.431 0.000 1.218 238 H CB 0.614 30.108 29.762 -0.446 0.000 1.403 238 H HN 0.197 nan 8.280 nan 0.000 0.477 239 I N 2.738 123.126 120.570 -0.303 0.000 2.410 239 I HA 0.286 4.454 4.170 -0.003 0.000 0.286 239 I C -0.055 175.928 176.117 -0.224 0.000 1.009 239 I CA -0.884 60.327 61.300 -0.148 0.000 1.111 239 I CB 1.408 39.359 38.000 -0.082 0.000 1.262 239 I HN 0.287 nan 8.210 nan 0.000 0.443 240 R N 5.783 126.171 120.500 -0.188 0.000 2.235 240 R HA 0.610 4.948 4.340 -0.003 0.000 0.338 240 R C -0.677 175.584 176.300 -0.064 0.000 1.087 240 R CA -0.182 55.839 56.100 -0.132 0.000 0.948 240 R CB 0.579 30.663 30.300 -0.361 0.000 1.099 240 R HN 0.709 nan 8.270 nan 0.000 0.483 241 A N 4.068 126.888 122.820 -0.001 0.000 2.301 241 A HA 0.322 4.640 4.320 -0.003 0.000 0.312 241 A C 0.344 177.967 177.584 0.065 0.000 1.182 241 A CA -0.661 51.395 52.037 0.031 0.000 0.826 241 A CB 0.829 19.835 19.000 0.009 0.000 1.134 241 A HN 0.877 nan 8.150 nan 0.000 0.501 242 K N 0.374 120.827 120.400 0.088 0.000 2.026 242 K HA -0.072 4.247 4.320 -0.003 0.000 0.208 242 K C 0.178 176.834 176.600 0.093 0.000 1.048 242 K CA 1.207 57.554 56.287 0.099 0.000 0.929 242 K CB -0.014 32.557 32.500 0.118 0.000 0.713 242 K HN 0.690 nan 8.250 nan 0.000 0.439 243 Q N 0.169 120.024 119.800 0.091 0.000 2.372 243 Q HA 0.387 4.726 4.340 -0.003 0.000 0.273 243 Q C -1.287 174.769 176.000 0.093 0.000 1.078 243 Q CA -0.595 55.283 55.803 0.125 0.000 0.806 243 Q CB 2.682 31.507 28.738 0.145 0.000 1.332 243 Q HN -0.133 nan 8.270 nan 0.000 0.435 244 V N 1.651 121.639 119.914 0.125 0.000 2.487 244 V HA 0.452 4.570 4.120 -0.003 0.000 0.298 244 V C -0.282 175.885 176.094 0.122 0.000 1.028 244 V CA -0.825 61.518 62.300 0.070 0.000 0.860 244 V CB 2.091 33.928 31.823 0.024 0.000 0.991 244 V HN 0.510 nan 8.190 nan 0.000 0.427 245 V N 6.273 126.216 119.914 0.048 0.000 2.370 245 V HA 0.430 4.549 4.120 -0.003 0.000 0.279 245 V C -0.072 176.017 176.094 -0.009 0.000 1.029 245 V CA -0.430 61.893 62.300 0.038 0.000 0.870 245 V CB 1.362 33.172 31.823 -0.023 0.000 0.984 245 V HN 0.623 nan 8.190 nan 0.000 0.451 246 L N 4.511 125.729 121.223 -0.009 0.000 2.275 246 L HA 0.733 5.072 4.340 -0.003 0.000 0.288 246 L C 0.497 177.330 176.870 -0.063 0.000 1.046 246 L CA -0.224 54.585 54.840 -0.052 0.000 0.805 246 L CB 1.424 43.449 42.059 -0.056 0.000 1.193 246 L HN 0.745 nan 8.230 nan 0.000 0.426 247 A N 0.935 123.707 122.820 -0.080 0.000 3.234 247 A HA 0.287 4.605 4.320 -0.003 0.000 0.247 247 A C 0.707 178.236 177.584 -0.091 0.000 0.938 247 A CA -0.246 51.745 52.037 -0.076 0.000 1.039 247 A CB -0.098 18.865 19.000 -0.061 0.000 1.197 247 A HN 0.736 nan 8.150 nan 0.000 0.498 248 T N -2.519 111.966 114.554 -0.116 0.000 3.107 248 T HA 0.525 4.873 4.350 -0.003 0.000 0.249 248 T C 1.129 175.745 174.700 -0.139 0.000 1.096 248 T CA 1.139 63.148 62.100 -0.152 0.000 1.012 248 T CB -0.366 68.369 68.868 -0.221 0.000 0.977 248 T HN 2.194 nan 8.240 nan 0.000 0.527 249 A N 1.041 123.797 122.820 -0.107 0.000 6.086 249 A HA 0.303 4.621 4.320 -0.003 0.000 0.252 249 A C 0.300 177.829 177.584 -0.093 0.000 2.197 249 A CA -0.106 51.876 52.037 -0.091 0.000 0.706 249 A CB -1.552 17.406 19.000 -0.069 0.000 1.023 249 A HN 1.973 nan 8.150 nan 0.000 0.358 250 A N -1.233 121.557 122.820 -0.050 0.000 2.449 250 A HA 0.726 5.044 4.320 -0.003 0.000 0.302 250 A C -0.581 177.088 177.584 0.142 0.000 1.048 250 A CA 0.103 52.163 52.037 0.039 0.000 0.708 250 A CB 0.826 19.904 19.000 0.130 0.000 1.274 250 A HN 1.235 nan 8.150 nan 0.000 0.410 251 H N 0.586 119.821 119.070 0.275 0.000 2.511 251 H HA 0.325 4.879 4.556 -0.003 0.000 0.346 251 H C 0.120 175.601 175.328 0.256 0.000 1.128 251 H CA -0.245 55.959 56.048 0.259 0.000 1.342 251 H CB 1.181 31.086 29.762 0.238 0.000 1.470 251 H HN 0.813 nan 8.280 nan 0.000 0.546 252 E N 2.266 122.646 120.200 0.301 0.000 2.398 252 E HA 0.030 4.378 4.350 -0.003 0.000 0.263 252 E C -0.228 176.363 176.600 -0.015 0.000 1.046 252 E CA -0.554 55.789 56.400 -0.095 0.000 0.908 252 E CB 0.657 30.285 29.700 -0.119 0.000 0.963 252 E HN 0.580 nan 8.360 nan 0.000 0.431 253 R N 3.603 124.025 120.500 -0.131 0.000 2.778 253 R HA 0.581 4.919 4.340 -0.003 0.000 0.277 253 R C -2.646 173.686 176.300 0.052 0.000 0.977 253 R CA -1.986 54.144 56.100 0.050 0.000 0.950 253 R CB 1.573 31.959 30.300 0.142 0.000 1.165 253 R HN 0.265 nan 8.270 nan 0.000 0.474 254 P HA 0.284 nan 4.420 nan 0.000 0.282 254 P C -0.556 176.868 177.300 0.207 0.000 1.287 254 P CA -0.563 62.675 63.100 0.231 0.000 0.792 254 P CB 0.898 32.823 31.700 0.375 0.000 1.163 255 I N -0.541 120.188 120.570 0.265 0.000 2.474 255 I HA 0.236 4.404 4.170 -0.003 0.000 0.294 255 I C -0.113 176.195 176.117 0.318 0.000 1.005 255 I CA -1.310 60.168 61.300 0.297 0.000 1.113 255 I CB 2.105 40.308 38.000 0.339 0.000 1.289 255 I HN -0.060 nan 8.210 nan 0.000 0.436 256 V N 7.127 127.213 119.914 0.288 0.000 2.372 256 V HA 0.289 4.407 4.120 -0.003 0.000 0.261 256 V C -0.358 175.923 176.094 0.312 0.000 1.055 256 V CA -0.004 62.438 62.300 0.237 0.000 0.930 256 V CB -0.705 31.288 31.823 0.282 0.000 1.031 256 V HN 0.568 nan 8.190 nan 0.000 0.479 257 F N 1.302 121.256 119.950 0.006 0.000 2.685 257 F HA 0.661 5.186 4.527 -0.003 0.000 0.315 257 F C -0.313 175.118 175.800 -0.616 0.000 1.126 257 F CA -1.631 56.203 58.000 -0.277 0.000 0.950 257 F CB 1.422 40.376 39.000 -0.077 0.000 1.360 257 F HN 0.286 nan 8.300 nan 0.000 0.469 258 E N 1.452 121.318 120.200 -0.557 0.000 2.415 258 E HA 0.100 4.448 4.350 -0.003 0.000 0.263 258 E C -0.352 176.261 176.600 0.022 0.000 0.995 258 E CA 0.345 56.570 56.400 -0.291 0.000 0.915 258 E CB 0.028 29.735 29.700 0.011 0.000 0.951 258 E HN 0.688 nan 8.360 nan 0.000 0.449 259 N N 3.262 122.008 118.700 0.077 0.000 2.714 259 N HA -0.212 4.526 4.740 -0.003 0.000 0.253 259 N C -0.600 174.904 175.510 -0.010 0.000 1.024 259 N CA 0.998 54.116 53.050 0.114 0.000 0.726 259 N CB -1.343 37.194 38.487 0.084 0.000 0.908 259 N HN 0.600 nan 8.380 nan 0.000 0.542 260 N N -0.155 118.376 118.700 -0.281 0.000 2.276 260 N HA -0.017 4.722 4.740 -0.003 0.000 0.212 260 N C 0.399 175.798 175.510 -0.185 0.000 1.127 260 N CA 0.059 52.716 53.050 -0.655 0.000 0.834 260 N CB 0.209 37.789 38.487 -1.512 0.000 1.014 260 N HN 0.387 nan 8.380 nan 0.000 0.491 261 D N -0.604 119.738 120.400 -0.097 0.000 2.433 261 D HA 0.023 4.661 4.640 -0.003 0.000 0.211 261 D C 0.032 176.255 176.300 -0.128 0.000 1.114 261 D CA -0.314 53.555 54.000 -0.219 0.000 0.837 261 D CB 0.172 40.602 40.800 -0.617 0.000 0.984 261 D HN 0.048 nan 8.370 nan 0.000 0.505 262 R N 1.414 121.896 120.500 -0.029 0.000 2.590 262 R HA 0.286 4.624 4.340 -0.003 0.000 0.274 262 R C -2.361 173.952 176.300 0.023 0.000 1.061 262 R CA -1.451 54.644 56.100 -0.009 0.000 1.081 262 R CB -0.237 30.075 30.300 0.021 0.000 0.984 262 R HN 0.016 nan 8.270 nan 0.000 0.448 263 P HA -0.078 nan 4.420 nan 0.000 0.261 263 P C 0.663 177.979 177.300 0.026 0.000 1.183 263 P CA 1.061 64.169 63.100 0.013 0.000 0.761 263 P CB 0.529 32.222 31.700 -0.012 0.000 0.785 264 G N 2.940 111.761 108.800 0.034 0.000 2.259 264 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.217 264 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.217 264 G C 0.119 175.049 174.900 0.050 0.000 1.001 264 G CA -0.458 44.659 45.100 0.028 0.000 0.627 264 G HN 0.492 nan 8.290 nan 0.000 0.501 265 I N 2.175 122.803 120.570 0.096 0.000 2.396 265 I HA 0.549 4.717 4.170 -0.003 0.000 0.289 265 I C 0.592 176.756 176.117 0.079 0.000 1.056 265 I CA 0.438 61.818 61.300 0.133 0.000 1.365 265 I CB 0.751 38.885 38.000 0.223 0.000 1.407 265 I HN 0.147 nan 8.210 nan 0.000 0.509 266 M N 6.279 125.809 119.600 -0.116 0.000 2.520 266 M HA 0.435 4.914 4.480 -0.003 0.000 0.283 266 M C -0.868 175.133 176.300 -0.498 0.000 1.237 266 M CA -0.813 54.238 55.300 -0.416 0.000 0.885 266 M CB 2.604 35.111 32.600 -0.156 0.000 1.727 266 M HN 0.283 nan 8.290 nan 0.000 0.468 267 L N 1.472 122.256 121.223 -0.731 0.000 2.540 267 L HA 0.081 4.419 4.340 -0.003 0.000 0.276 267 L C 1.372 178.135 176.870 -0.178 0.000 1.212 267 L CA -0.110 54.495 54.840 -0.392 0.000 0.893 267 L CB 0.433 42.301 42.059 -0.319 0.000 1.138 267 L HN 1.034 nan 8.230 nan 0.000 0.491 268 A N 3.572 126.323 122.820 -0.115 0.000 1.902 268 A HA -0.099 4.219 4.320 -0.003 0.000 0.217 268 A C 2.155 179.730 177.584 -0.014 0.000 1.181 268 A CA 1.639 53.640 52.037 -0.060 0.000 0.623 268 A CB -0.904 18.057 19.000 -0.064 0.000 0.818 268 A HN 0.969 nan 8.150 nan 0.000 0.443 269 G N -0.891 107.921 108.800 0.020 0.000 2.470 269 G HA2 -0.093 3.865 3.960 -0.003 0.000 0.220 269 G HA3 -0.093 3.865 3.960 -0.003 0.000 0.220 269 G C 1.678 176.584 174.900 0.010 0.000 1.121 269 G CA 1.279 46.413 45.100 0.056 0.000 0.766 269 G HN 0.498 nan 8.290 nan 0.000 0.553 270 S N -0.200 115.489 115.700 -0.018 0.000 2.395 270 S HA -0.035 4.433 4.470 -0.003 0.000 0.225 270 S C 2.481 177.105 174.600 0.041 0.000 1.027 270 S CA 0.751 58.920 58.200 -0.052 0.000 0.965 270 S CB -0.015 63.166 63.200 -0.031 0.000 0.812 270 S HN 0.194 nan 8.310 nan 0.000 0.482 271 V N 2.107 122.077 119.914 0.093 0.000 2.332 271 V HA -0.176 3.943 4.120 -0.003 0.000 0.248 271 V C 2.519 178.688 176.094 0.125 0.000 1.055 271 V CA 1.744 64.137 62.300 0.156 0.000 1.038 271 V CB -0.598 31.264 31.823 0.066 0.000 0.651 271 V HN 0.378 nan 8.190 nan 0.000 0.450 272 R N -0.182 120.350 120.500 0.054 0.000 2.066 272 R HA -0.162 4.177 4.340 -0.003 0.000 0.232 272 R C 2.702 179.014 176.300 0.020 0.000 1.131 272 R CA 1.671 57.792 56.100 0.036 0.000 0.955 272 R CB -0.457 29.853 30.300 0.016 0.000 0.851 272 R HN 0.495 nan 8.270 nan 0.000 0.432 273 S N -0.322 115.357 115.700 -0.035 0.000 2.365 273 S HA -0.212 4.256 4.470 -0.003 0.000 0.225 273 S C 1.816 176.408 174.600 -0.012 0.000 1.039 273 S CA 1.489 59.630 58.200 -0.098 0.000 1.033 273 S CB -0.393 62.691 63.200 -0.193 0.000 0.887 273 S HN 0.440 nan 8.310 nan 0.000 0.447 274 Y N 1.115 121.553 120.300 0.230 0.000 2.165 274 Y HA -0.068 4.481 4.550 -0.003 0.000 0.286 274 Y C 2.283 178.303 175.900 0.200 0.000 1.155 274 Y CA 1.180 59.455 58.100 0.291 0.000 1.164 274 Y CB -0.976 37.573 38.460 0.147 0.000 0.978 274 Y HN 0.295 nan 8.280 nan 0.000 0.513 275 L N 0.287 121.655 121.223 0.241 0.000 1.976 275 L HA -0.225 4.113 4.340 -0.003 0.000 0.209 275 L C 1.875 178.802 176.870 0.095 0.000 1.071 275 L CA 2.015 56.944 54.840 0.148 0.000 0.746 275 L CB -0.703 41.413 42.059 0.096 0.000 0.890 275 L HN 0.145 nan 8.230 nan 0.000 0.432 276 N N -1.036 117.690 118.700 0.042 0.000 2.336 276 N HA -0.068 4.671 4.740 -0.003 0.000 0.177 276 N C 1.960 177.424 175.510 -0.077 0.000 1.018 276 N CA 0.889 53.931 53.050 -0.012 0.000 0.878 276 N CB -0.175 38.295 38.487 -0.027 0.000 0.997 276 N HN 0.342 nan 8.380 nan 0.000 0.433 277 R N -0.581 119.823 120.500 -0.160 0.000 2.127 277 R HA 0.111 4.449 4.340 -0.003 0.000 0.217 277 R C 0.578 176.571 176.300 -0.512 0.000 1.074 277 R CA 0.882 56.722 56.100 -0.433 0.000 0.991 277 R CB 0.134 30.012 30.300 -0.703 0.000 0.895 277 R HN 0.063 nan 8.270 nan 0.000 0.450 278 F N -1.186 118.809 119.950 0.076 0.000 2.706 278 F HA 0.377 4.903 4.527 -0.003 0.000 0.313 278 F C 1.133 177.007 175.800 0.123 0.000 1.096 278 F CA 0.294 58.370 58.000 0.127 0.000 1.219 278 F CB 1.183 40.316 39.000 0.221 0.000 1.051 278 F HN 0.158 nan 8.300 nan 0.000 0.568 279 G N 1.631 110.562 108.800 0.218 0.000 2.249 279 G HA2 -0.235 3.724 3.960 -0.003 0.000 0.273 279 G HA3 -0.235 3.724 3.960 -0.003 0.000 0.273 279 G C -0.299 174.708 174.900 0.178 0.000 1.036 279 G CA 0.319 45.514 45.100 0.158 0.000 0.824 279 G HN 0.191 nan 8.290 nan 0.000 0.504 280 V N 0.152 120.201 119.914 0.225 0.000 2.495 280 V HA 0.534 4.653 4.120 -0.003 0.000 0.298 280 V C 0.718 176.898 176.094 0.143 0.000 1.031 280 V CA -0.978 61.426 62.300 0.173 0.000 0.871 280 V CB 1.827 33.753 31.823 0.173 0.000 0.988 280 V HN 0.401 nan 8.190 nan 0.000 0.432 281 R N 2.994 123.544 120.500 0.083 0.000 2.221 281 R HA 0.516 4.854 4.340 -0.003 0.000 0.327 281 R C 1.075 177.392 176.300 0.028 0.000 1.033 281 R CA 0.112 56.249 56.100 0.062 0.000 0.887 281 R CB 1.392 31.719 30.300 0.045 0.000 1.057 281 R HN 0.896 nan 8.270 nan 0.000 0.455 282 A N 3.268 126.104 122.820 0.028 0.000 2.121 282 A HA 0.142 4.461 4.320 -0.003 0.000 0.218 282 A C 0.811 178.382 177.584 -0.023 0.000 1.154 282 A CA 1.342 53.366 52.037 -0.021 0.000 0.679 282 A CB 0.075 19.075 19.000 0.001 0.000 0.795 282 A HN 0.823 nan 8.150 nan 0.000 0.458 283 G N -3.342 105.457 108.800 -0.002 0.000 2.441 283 G HA2 0.391 4.349 3.960 -0.003 0.000 0.294 283 G HA3 0.391 4.349 3.960 -0.003 0.000 0.294 283 G C 0.022 174.928 174.900 0.009 0.000 1.393 283 G CA 0.418 45.517 45.100 -0.001 0.000 0.796 283 G HN 0.034 nan 8.290 nan 0.000 0.494 284 S N -0.819 114.886 115.700 0.010 0.000 2.524 284 S HA 0.248 4.716 4.470 -0.003 0.000 0.215 284 S C 0.628 175.238 174.600 0.017 0.000 0.986 284 S CA 0.328 58.536 58.200 0.014 0.000 0.911 284 S CB 0.081 63.289 63.200 0.012 0.000 0.805 284 S HN 0.353 nan 8.310 nan 0.000 0.501 285 K N 2.140 122.551 120.400 0.018 0.000 2.687 285 K HA 0.317 4.636 4.320 -0.003 0.000 0.197 285 K C -1.432 175.181 176.600 0.021 0.000 1.049 285 K CA -0.268 56.034 56.287 0.025 0.000 1.030 285 K CB 0.818 33.337 32.500 0.032 0.000 1.261 285 K HN 0.078 nan 8.250 nan 0.000 0.565 286 I N 2.336 122.914 120.570 0.013 0.000 2.337 286 I HA 0.239 4.408 4.170 -0.003 0.000 0.291 286 I C 0.753 176.863 176.117 -0.012 0.000 1.046 286 I CA -0.490 60.812 61.300 0.002 0.000 1.324 286 I CB 0.441 38.441 38.000 -0.001 0.000 1.409 286 I HN 0.403 nan 8.210 nan 0.000 0.494 287 A N 7.022 129.829 122.820 -0.021 0.000 2.293 287 A HA 0.747 5.066 4.320 -0.003 0.000 0.302 287 A C -0.313 177.223 177.584 -0.079 0.000 1.119 287 A CA -0.456 51.543 52.037 -0.063 0.000 0.823 287 A CB 1.059 20.015 19.000 -0.074 0.000 1.097 287 A HN 0.452 nan 8.150 nan 0.000 0.491 288 V N 0.729 120.573 119.914 -0.117 0.000 2.540 288 V HA 0.689 4.808 4.120 -0.003 0.000 0.302 288 V C 0.219 176.220 176.094 -0.154 0.000 1.035 288 V CA -0.246 61.976 62.300 -0.130 0.000 0.873 288 V CB 1.392 33.121 31.823 -0.157 0.000 0.992 288 V HN 1.222 nan 8.190 nan 0.000 0.428 289 A N 3.007 125.745 122.820 -0.137 0.000 2.319 289 A HA 0.847 5.165 4.320 -0.003 0.000 0.310 289 A C -0.337 177.174 177.584 -0.122 0.000 1.152 289 A CA -0.486 51.464 52.037 -0.146 0.000 0.783 289 A CB 1.724 20.625 19.000 -0.165 0.000 1.184 289 A HN 0.742 nan 8.150 nan 0.000 0.474 290 T N 0.219 114.702 114.554 -0.118 0.000 2.903 290 T HA 0.555 4.903 4.350 -0.003 0.000 0.299 290 T C 0.848 175.512 174.700 -0.060 0.000 1.093 290 T CA 0.416 62.459 62.100 -0.093 0.000 1.002 290 T CB 1.457 70.248 68.868 -0.129 0.000 1.127 290 T HN 1.048 nan 8.240 nan 0.000 0.488 291 T N 0.423 114.949 114.554 -0.047 0.000 3.054 291 T HA 0.324 4.672 4.350 -0.003 0.000 0.255 291 T C 0.422 175.135 174.700 0.021 0.000 1.035 291 T CA -0.364 61.714 62.100 -0.037 0.000 0.941 291 T CB -0.372 68.446 68.868 -0.083 0.000 1.026 291 T HN 0.735 nan 8.240 nan 0.000 0.533 292 N N -0.413 118.323 118.700 0.060 0.000 3.020 292 N HA 0.151 4.890 4.740 -0.003 0.000 0.248 292 N C -1.180 174.433 175.510 0.173 0.000 1.480 292 N CA -0.530 52.592 53.050 0.121 0.000 0.874 292 N CB 0.854 39.437 38.487 0.159 0.000 1.433 292 N HN -0.240 nan 8.380 nan 0.000 0.530 293 D N 0.120 120.639 120.400 0.199 0.000 2.363 293 D HA -0.064 4.575 4.640 -0.003 0.000 0.220 293 D C 1.686 178.120 176.300 0.223 0.000 0.994 293 D CA 0.929 55.103 54.000 0.289 0.000 0.890 293 D CB -0.126 40.784 40.800 0.184 0.000 0.906 293 D HN 0.616 nan 8.370 nan 0.000 0.530 294 S N 0.154 115.954 115.700 0.167 0.000 2.419 294 S HA -0.154 4.314 4.470 -0.003 0.000 0.233 294 S C 2.109 176.745 174.600 0.060 0.000 1.016 294 S CA 1.111 59.394 58.200 0.138 0.000 0.974 294 S CB -0.657 62.745 63.200 0.337 0.000 0.786 294 S HN 0.239 nan 8.310 nan 0.000 0.492 295 V N -2.332 117.542 119.914 -0.067 0.000 3.217 295 V HA 0.132 4.250 4.120 -0.003 0.000 0.264 295 V C 1.885 177.820 176.094 -0.264 0.000 1.135 295 V CA 0.603 62.781 62.300 -0.203 0.000 1.142 295 V CB -1.532 30.086 31.823 -0.341 0.000 0.754 295 V HN 0.397 nan 8.190 nan 0.000 0.484 296 Y N 1.127 121.434 120.300 0.013 0.000 2.314 296 Y HA 0.152 4.700 4.550 -0.003 0.000 0.293 296 Y C 0.288 176.187 175.900 -0.002 0.000 1.129 296 Y CA 1.200 59.300 58.100 0.000 0.000 1.201 296 Y CB -1.891 36.566 38.460 -0.005 0.000 0.999 296 Y HN 0.385 nan 8.280 nan 0.000 0.541 297 P HA -0.202 nan 4.420 nan 0.000 0.215 297 P C 1.782 179.100 177.300 0.029 0.000 1.153 297 P CA 1.222 64.355 63.100 0.054 0.000 0.853 297 P CB -0.029 31.689 31.700 0.030 0.000 0.788 298 L N -0.509 120.717 121.223 0.006 0.000 2.017 298 L HA -0.138 4.200 4.340 -0.003 0.000 0.208 298 L C 2.106 178.975 176.870 -0.002 0.000 1.073 298 L CA 1.851 56.689 54.840 -0.003 0.000 0.745 298 L CB -1.228 40.818 42.059 -0.020 0.000 0.894 298 L HN -0.193 nan 8.230 nan 0.000 0.432 299 V N -0.743 119.162 119.914 -0.015 0.000 2.282 299 V HA -0.328 3.791 4.120 -0.003 0.000 0.249 299 V C 2.804 178.920 176.094 0.036 0.000 1.057 299 V CA 2.037 64.341 62.300 0.006 0.000 1.032 299 V CB -1.009 30.828 31.823 0.023 0.000 0.645 299 V HN 0.688 nan 8.190 nan 0.000 0.447 300 S N -0.593 115.138 115.700 0.052 0.000 2.368 300 S HA -0.219 4.249 4.470 -0.003 0.000 0.224 300 S C 1.923 176.540 174.600 0.028 0.000 1.029 300 S CA 1.788 60.014 58.200 0.044 0.000 0.988 300 S CB -0.279 62.949 63.200 0.048 0.000 0.838 300 S HN 0.733 nan 8.310 nan 0.000 0.462 301 E N 0.496 120.710 120.200 0.024 0.000 2.204 301 E HA -0.054 4.294 4.350 -0.003 0.000 0.195 301 E C 1.825 178.438 176.600 0.022 0.000 0.990 301 E CA 1.015 57.427 56.400 0.020 0.000 0.821 301 E CB -0.171 29.540 29.700 0.018 0.000 0.750 301 E HN 0.496 nan 8.360 nan 0.000 0.477 302 L N 0.100 121.336 121.223 0.022 0.000 2.492 302 L HA 0.043 4.381 4.340 -0.003 0.000 0.223 302 L C 2.356 179.239 176.870 0.021 0.000 1.132 302 L CA 0.120 54.974 54.840 0.022 0.000 0.850 302 L CB -0.215 41.855 42.059 0.018 0.000 0.966 302 L HN 0.142 nan 8.230 nan 0.000 0.454 303 A N 0.706 123.539 122.820 0.022 0.000 1.892 303 A HA -0.268 4.051 4.320 -0.003 0.000 0.218 303 A C 2.548 180.143 177.584 0.019 0.000 1.188 303 A CA 1.974 54.024 52.037 0.021 0.000 0.631 303 A CB -0.660 18.353 19.000 0.021 0.000 0.822 303 A HN 0.393 nan 8.150 nan 0.000 0.447 304 A N -0.055 122.776 122.820 0.018 0.000 1.972 304 A HA -0.046 4.273 4.320 -0.003 0.000 0.219 304 A C 2.192 179.787 177.584 0.018 0.000 1.169 304 A CA 2.121 54.167 52.037 0.017 0.000 0.635 304 A CB -0.715 18.295 19.000 0.015 0.000 0.810 304 A HN 1.116 nan 8.150 nan 0.000 0.446 305 S N -2.673 113.039 115.700 0.021 0.000 2.582 305 S HA 0.471 4.939 4.470 -0.003 0.000 0.234 305 S C 1.031 175.644 174.600 0.021 0.000 0.961 305 S CA 0.780 58.993 58.200 0.022 0.000 0.953 305 S CB 0.093 63.309 63.200 0.026 0.000 0.800 305 S HN 1.736 nan 8.310 nan 0.000 0.471 306 G N -0.353 108.459 108.800 0.020 0.000 2.260 306 G HA2 0.323 4.281 3.960 -0.003 0.000 0.179 306 G HA3 0.323 4.281 3.960 -0.003 0.000 0.179 306 G C 0.854 175.767 174.900 0.021 0.000 1.002 306 G CA 0.049 45.161 45.100 0.020 0.000 0.677 306 G HN 1.703 nan 8.290 nan 0.000 0.486 307 G N -1.463 107.349 108.800 0.020 0.000 2.593 307 G HA2 0.295 4.253 3.960 -0.003 0.000 0.237 307 G HA3 0.295 4.253 3.960 -0.003 0.000 0.237 307 G C 0.450 175.360 174.900 0.016 0.000 1.312 307 G CA 1.350 46.462 45.100 0.020 0.000 0.896 307 G HN 2.093 nan 8.290 nan 0.000 0.574 308 V N -3.005 116.918 119.914 0.014 0.000 3.001 308 V HA 0.786 4.905 4.120 -0.003 0.000 0.314 308 V C 1.335 177.435 176.094 0.011 0.000 1.099 308 V CA 0.121 62.423 62.300 0.004 0.000 0.989 308 V CB 1.264 33.077 31.823 -0.016 0.000 1.040 308 V HN 1.419 nan 8.190 nan 0.000 0.434 309 V N 1.519 121.439 119.914 0.009 0.000 2.295 309 V HA 0.291 4.410 4.120 -0.003 0.000 0.246 309 V C 1.148 177.241 176.094 -0.002 0.000 1.049 309 V CA 2.437 64.759 62.300 0.036 0.000 1.024 309 V CB -0.467 31.389 31.823 0.055 0.000 0.648 309 V HN 1.605 nan 8.190 nan 0.000 0.447 310 A N -1.835 120.932 122.820 -0.088 0.000 2.569 310 A HA 0.593 4.912 4.320 -0.003 0.000 0.292 310 A C -1.474 176.013 177.584 -0.163 0.000 1.032 310 A CA -0.441 51.504 52.037 -0.155 0.000 0.669 310 A CB 1.131 19.904 19.000 -0.379 0.000 1.290 310 A HN -0.005 nan 8.150 nan 0.000 0.422 311 V N 2.387 122.227 119.914 -0.123 0.000 2.370 311 V HA 0.438 4.556 4.120 -0.003 0.000 0.283 311 V C -0.526 175.490 176.094 -0.129 0.000 1.023 311 V CA -0.500 61.730 62.300 -0.115 0.000 0.857 311 V CB 1.332 33.139 31.823 -0.028 0.000 0.985 311 V HN 0.615 nan 8.190 nan 0.000 0.443 312 I N 4.083 124.553 120.570 -0.166 0.000 2.307 312 I HA 0.383 4.551 4.170 -0.003 0.000 0.287 312 I C -0.118 175.937 176.117 -0.103 0.000 1.054 312 I CA -0.113 61.089 61.300 -0.163 0.000 1.218 312 I CB 0.963 38.831 38.000 -0.219 0.000 1.398 312 I HN 0.572 nan 8.210 nan 0.000 0.475 313 D N 5.051 125.421 120.400 -0.049 0.000 2.303 313 D HA 0.431 5.070 4.640 -0.003 0.000 0.236 313 D C 0.834 177.120 176.300 -0.022 0.000 1.068 313 D CA -0.352 53.645 54.000 -0.005 0.000 0.830 313 D CB 2.322 43.170 40.800 0.080 0.000 1.109 313 D HN 0.566 nan 8.370 nan 0.000 0.496 314 A N 4.879 127.677 122.820 -0.037 0.000 2.070 314 A HA -0.083 4.235 4.320 -0.003 0.000 0.220 314 A C 1.190 178.757 177.584 -0.028 0.000 1.159 314 A CA 0.722 52.732 52.037 -0.045 0.000 0.656 314 A CB -0.035 18.924 19.000 -0.068 0.000 0.800 314 A HN 0.547 nan 8.150 nan 0.000 0.453 315 R N 0.084 120.579 120.500 -0.009 0.000 2.543 315 R HA 0.172 4.510 4.340 -0.003 0.000 0.277 315 R C 0.772 177.072 176.300 -0.001 0.000 1.074 315 R CA -0.397 55.703 56.100 -0.001 0.000 1.076 315 R CB 0.396 30.707 30.300 0.017 0.000 0.993 315 R HN 0.359 nan 8.270 nan 0.000 0.459 316 Q N 1.380 121.179 119.800 -0.001 0.000 2.167 316 Q HA -0.065 4.273 4.340 -0.003 0.000 0.202 316 Q C -0.094 175.905 176.000 -0.001 0.000 0.970 316 Q CA 1.437 57.239 55.803 -0.001 0.000 0.855 316 Q CB -0.048 28.690 28.738 0.001 0.000 0.911 316 Q HN 0.562 nan 8.270 nan 0.000 0.438 317 N N -0.569 118.130 118.700 -0.002 0.000 2.328 317 N HA 0.412 5.150 4.740 -0.003 0.000 0.299 317 N C -0.878 174.624 175.510 -0.014 0.000 1.179 317 N CA -0.604 52.441 53.050 -0.007 0.000 0.793 317 N CB 1.885 40.368 38.487 -0.008 0.000 1.366 317 N HN -0.086 nan 8.380 nan 0.000 0.493 318 I N 1.598 122.152 120.570 -0.027 0.000 2.517 318 I HA 0.030 4.198 4.170 -0.003 0.000 0.285 318 I C 0.824 176.902 176.117 -0.064 0.000 1.106 318 I CA -0.007 61.260 61.300 -0.054 0.000 1.402 318 I CB 0.198 38.160 38.000 -0.063 0.000 1.399 318 I HN 0.581 nan 8.210 nan 0.000 0.535 319 S N 5.243 120.894 115.700 -0.082 0.000 2.624 319 S HA 0.392 4.861 4.470 -0.003 0.000 0.263 319 S C 1.292 175.820 174.600 -0.120 0.000 1.287 319 S CA -0.197 57.956 58.200 -0.080 0.000 0.990 319 S CB 1.538 64.703 63.200 -0.058 0.000 0.950 319 S HN 0.693 nan 8.310 nan 0.000 0.561 320 A N 1.410 124.174 122.820 -0.093 0.000 1.908 320 A HA 0.118 4.436 4.320 -0.003 0.000 0.218 320 A C 2.420 179.919 177.584 -0.142 0.000 1.181 320 A CA 1.947 53.925 52.037 -0.097 0.000 0.627 320 A CB -1.755 17.206 19.000 -0.066 0.000 0.818 320 A HN 1.366 nan 8.150 nan 0.000 0.445 321 A N -0.196 122.529 122.820 -0.159 0.000 1.902 321 A HA 0.169 4.487 4.320 -0.003 0.000 0.217 321 A C 2.499 179.758 177.584 -0.543 0.000 1.181 321 A CA 2.052 53.956 52.037 -0.221 0.000 0.623 321 A CB -1.023 17.925 19.000 -0.087 0.000 0.818 321 A HN 1.111 nan 8.150 nan 0.000 0.443 322 A N -0.153 122.210 122.820 -0.761 0.000 1.972 322 A HA 0.150 4.468 4.320 -0.003 0.000 0.219 322 A C 2.428 179.723 177.584 -0.481 0.000 1.169 322 A CA 1.959 53.360 52.037 -1.060 0.000 0.635 322 A CB -0.884 17.737 19.000 -0.632 0.000 0.810 322 A HN 1.077 nan 8.150 nan 0.000 0.446 323 A N -1.063 121.585 122.820 -0.288 0.000 2.019 323 A HA -0.147 4.171 4.320 -0.003 0.000 0.219 323 A C 2.046 179.553 177.584 -0.128 0.000 1.164 323 A CA 1.621 53.563 52.037 -0.159 0.000 0.644 323 A CB -0.338 18.593 19.000 -0.115 0.000 0.805 323 A HN 0.490 nan 8.150 nan 0.000 0.449 324 Q N -0.324 119.387 119.800 -0.147 0.000 2.172 324 Q HA 0.019 4.357 4.340 -0.003 0.000 0.200 324 Q C 2.337 178.302 176.000 -0.059 0.000 0.964 324 Q CA 1.461 57.212 55.803 -0.087 0.000 0.855 324 Q CB -0.951 27.745 28.738 -0.070 0.000 0.918 324 Q HN 0.640 nan 8.270 nan 0.000 0.444 325 A N 0.617 123.388 122.820 -0.082 0.000 1.877 325 A HA -0.130 4.188 4.320 -0.003 0.000 0.216 325 A C 2.449 180.031 177.584 -0.003 0.000 1.186 325 A CA 1.620 53.660 52.037 0.006 0.000 0.620 325 A CB -0.806 18.255 19.000 0.102 0.000 0.822 325 A HN 0.192 nan 8.150 nan 0.000 0.443 326 V N 0.799 120.689 119.914 -0.041 0.000 2.282 326 V HA -0.279 3.839 4.120 -0.003 0.000 0.249 326 V C 2.923 179.007 176.094 -0.016 0.000 1.057 326 V CA 2.562 64.847 62.300 -0.024 0.000 1.032 326 V CB -1.515 30.283 31.823 -0.042 0.000 0.645 326 V HN 0.842 nan 8.190 nan 0.000 0.447 327 T N -2.928 111.611 114.554 -0.025 0.000 3.055 327 T HA -0.102 4.246 4.350 -0.003 0.000 0.265 327 T C 1.247 175.943 174.700 -0.006 0.000 1.111 327 T CA 1.047 63.138 62.100 -0.016 0.000 1.118 327 T CB -0.332 68.524 68.868 -0.021 0.000 0.909 327 T HN 0.403 nan 8.240 nan 0.000 0.501 328 D N 1.539 121.938 120.400 -0.001 0.000 2.363 328 D HA 0.218 4.856 4.640 -0.003 0.000 0.226 328 D C 1.693 178.001 176.300 0.013 0.000 1.020 328 D CA 0.870 54.874 54.000 0.008 0.000 0.892 328 D CB -0.339 40.471 40.800 0.016 0.000 0.900 328 D HN 0.647 nan 8.370 nan 0.000 0.531 329 G N 0.058 108.865 108.800 0.012 0.000 2.141 329 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.242 329 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.242 329 G C 0.392 175.306 174.900 0.024 0.000 0.982 329 G CA 0.139 45.248 45.100 0.016 0.000 0.662 329 G HN 0.279 nan 8.290 nan 0.000 0.527 330 V N 1.083 121.014 119.914 0.029 0.000 2.811 330 V HA 0.439 4.557 4.120 -0.003 0.000 0.302 330 V C 1.182 177.296 176.094 0.034 0.000 1.063 330 V CA 0.591 62.914 62.300 0.038 0.000 1.088 330 V CB 1.449 33.308 31.823 0.060 0.000 0.982 330 V HN 0.321 nan 8.190 nan 0.000 0.485 331 T N 4.279 118.852 114.554 0.031 0.000 2.723 331 T HA 0.395 4.743 4.350 -0.003 0.000 0.297 331 T C -0.262 174.443 174.700 0.008 0.000 0.925 331 T CA -0.117 61.999 62.100 0.026 0.000 1.030 331 T CB 0.499 69.391 68.868 0.040 0.000 0.905 331 T HN 0.386 nan 8.240 nan 0.000 0.502 332 V N 5.471 125.395 119.914 0.017 0.000 2.448 332 V HA 0.419 4.537 4.120 -0.003 0.000 0.295 332 V C -0.691 175.402 176.094 -0.002 0.000 1.025 332 V CA -0.982 61.330 62.300 0.021 0.000 0.859 332 V CB 1.614 33.473 31.823 0.059 0.000 0.988 332 V HN 0.570 nan 8.190 nan 0.000 0.431 333 L N 5.227 126.431 121.223 -0.033 0.000 2.298 333 L HA 0.574 4.913 4.340 -0.003 0.000 0.284 333 L C 0.676 177.532 176.870 -0.023 0.000 1.013 333 L CA 0.104 54.925 54.840 -0.032 0.000 0.824 333 L CB 1.541 43.556 42.059 -0.074 0.000 1.221 333 L HN 0.884 nan 8.230 nan 0.000 0.418 334 T N -1.372 113.178 114.554 -0.006 0.000 2.881 334 T HA 0.577 4.925 4.350 -0.003 0.000 0.278 334 T C 1.059 175.754 174.700 -0.009 0.000 0.982 334 T CA -0.123 61.975 62.100 -0.003 0.000 0.989 334 T CB 1.447 70.316 68.868 0.001 0.000 1.058 334 T HN 0.983 nan 8.240 nan 0.000 0.529 335 G N 0.674 109.468 108.800 -0.010 0.000 2.233 335 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.270 335 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.270 335 G C 0.113 175.002 174.900 -0.019 0.000 1.011 335 G CA 0.335 45.428 45.100 -0.012 0.000 0.762 335 G HN 1.047 nan 8.290 nan 0.000 0.511 336 S N -1.528 114.153 115.700 -0.032 0.000 2.568 336 S HA 0.823 5.292 4.470 -0.003 0.000 0.293 336 S C -0.035 174.520 174.600 -0.074 0.000 1.089 336 S CA -0.163 58.010 58.200 -0.044 0.000 0.945 336 S CB 2.924 66.097 63.200 -0.045 0.000 1.077 336 S HN 1.520 nan 8.310 nan 0.000 0.485 337 V N -0.848 119.014 119.914 -0.086 0.000 2.962 337 V HA 0.748 4.867 4.120 -0.003 0.000 0.313 337 V C -0.516 175.461 176.094 -0.195 0.000 1.099 337 V CA -0.984 61.232 62.300 -0.140 0.000 0.971 337 V CB 1.456 33.214 31.823 -0.109 0.000 1.028 337 V HN 0.561 nan 8.190 nan 0.000 0.430 338 V N 3.034 122.743 119.914 -0.343 0.000 2.446 338 V HA 0.463 4.581 4.120 -0.003 0.000 0.276 338 V C 1.289 177.103 176.094 -0.467 0.000 1.030 338 V CA 0.953 62.983 62.300 -0.451 0.000 1.033 338 V CB 0.448 31.850 31.823 -0.701 0.000 0.993 338 V HN 1.279 nan 8.190 nan 0.000 0.477 339 A N 4.520 127.230 122.820 -0.182 0.000 2.288 339 A HA 0.356 4.674 4.320 -0.003 0.000 0.216 339 A C 0.757 178.393 177.584 0.087 0.000 1.199 339 A CA 0.230 52.253 52.037 -0.025 0.000 0.891 339 A CB 0.066 19.076 19.000 0.018 0.000 0.923 339 A HN 0.689 nan 8.150 nan 0.000 0.500 340 N N -1.375 117.373 118.700 0.081 0.000 3.046 340 N HA 0.420 5.158 4.740 -0.003 0.000 0.243 340 N C -1.281 174.319 175.510 0.150 0.000 1.452 340 N CA 0.601 53.746 53.050 0.157 0.000 0.882 340 N CB 1.556 40.104 38.487 0.101 0.000 1.425 340 N HN 0.228 nan 8.380 nan 0.000 0.517 341 T N -2.261 112.388 114.554 0.159 0.000 2.864 341 T HA 0.725 5.073 4.350 -0.003 0.000 0.299 341 T C -1.010 173.735 174.700 0.074 0.000 1.166 341 T CA -0.679 61.498 62.100 0.129 0.000 1.007 341 T CB 2.153 71.132 68.868 0.186 0.000 1.219 341 T HN 0.396 nan 8.240 nan 0.000 0.506 342 E N -0.301 119.932 120.200 0.055 0.000 2.299 342 E HA 0.712 5.060 4.350 -0.003 0.000 0.265 342 E C -0.888 175.724 176.600 0.020 0.000 0.911 342 E CA -1.447 54.968 56.400 0.025 0.000 0.789 342 E CB 2.362 32.075 29.700 0.020 0.000 1.246 342 E HN 0.960 nan 8.360 nan 0.000 0.427 343 A N 1.387 124.208 122.820 0.001 0.000 2.356 343 A HA 0.513 4.831 4.320 -0.003 0.000 0.323 343 A C -0.855 176.726 177.584 -0.005 0.000 1.119 343 A CA -0.816 51.219 52.037 -0.003 0.000 0.790 343 A CB 0.920 19.910 19.000 -0.016 0.000 1.273 343 A HN 0.694 nan 8.150 nan 0.000 0.452 344 D N 0.584 120.982 120.400 -0.004 0.000 2.440 344 D HA 0.455 5.094 4.640 -0.003 0.000 0.269 344 D C 1.146 177.440 176.300 -0.011 0.000 1.249 344 D CA 0.164 54.161 54.000 -0.006 0.000 1.055 344 D CB 0.386 41.184 40.800 -0.004 0.000 1.104 344 D HN 0.460 nan 8.370 nan 0.000 0.561 345 A N -0.474 122.340 122.820 -0.010 0.000 2.015 345 A HA -0.083 4.235 4.320 -0.003 0.000 0.219 345 A C 1.965 179.541 177.584 -0.014 0.000 1.163 345 A CA 1.783 53.813 52.037 -0.012 0.000 0.646 345 A CB -1.079 17.916 19.000 -0.010 0.000 0.806 345 A HN 0.602 nan 8.150 nan 0.000 0.448 346 S N -1.829 113.862 115.700 -0.014 0.000 2.607 346 S HA 0.350 4.818 4.470 -0.003 0.000 0.224 346 S C 1.423 176.012 174.600 -0.020 0.000 0.969 346 S CA 1.086 59.276 58.200 -0.017 0.000 0.927 346 S CB -0.384 62.806 63.200 -0.017 0.000 0.772 346 S HN 1.878 nan 8.310 nan 0.000 0.533 347 G N 0.393 109.181 108.800 -0.020 0.000 2.176 347 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.253 347 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.253 347 G C -0.217 174.671 174.900 -0.020 0.000 0.979 347 G CA 0.138 45.224 45.100 -0.024 0.000 0.641 347 G HN 0.617 nan 8.290 nan 0.000 0.530 348 E N -0.259 119.932 120.200 -0.014 0.000 2.318 348 E HA 0.530 4.879 4.350 -0.003 0.000 0.265 348 E C 0.410 177.012 176.600 0.003 0.000 1.069 348 E CA -1.033 55.362 56.400 -0.008 0.000 0.893 348 E CB 1.492 31.186 29.700 -0.010 0.000 1.076 348 E HN 0.239 nan 8.360 nan 0.000 0.414 349 L N 2.310 123.542 121.223 0.015 0.000 2.640 349 L HA -0.129 4.210 4.340 -0.003 0.000 0.280 349 L C 0.731 177.616 176.870 0.025 0.000 1.229 349 L CA 1.062 55.919 54.840 0.030 0.000 0.919 349 L CB 0.420 42.506 42.059 0.046 0.000 1.168 349 L HN 0.636 nan 8.230 nan 0.000 0.496 350 S N 2.702 118.419 115.700 0.028 0.000 2.589 350 S HA 0.739 5.207 4.470 -0.003 0.000 0.235 350 S C 0.284 174.907 174.600 0.038 0.000 1.051 350 S CA 0.131 58.347 58.200 0.026 0.000 0.978 350 S CB 0.341 63.550 63.200 0.015 0.000 0.929 350 S HN 1.108 nan 8.310 nan 0.000 0.523 351 A N 0.948 123.798 122.820 0.050 0.000 2.597 351 A HA 0.663 4.981 4.320 -0.003 0.000 0.292 351 A C -1.070 176.563 177.584 0.081 0.000 1.057 351 A CA -0.349 51.729 52.037 0.068 0.000 0.674 351 A CB 1.022 20.053 19.000 0.052 0.000 1.278 351 A HN 1.159 nan 8.150 nan 0.000 0.416 352 V N -0.845 119.133 119.914 0.105 0.000 2.581 352 V HA 0.885 5.003 4.120 -0.003 0.000 0.303 352 V C -1.038 175.130 176.094 0.123 0.000 1.041 352 V CA -0.891 61.463 62.300 0.091 0.000 0.907 352 V CB 1.244 33.089 31.823 0.037 0.000 0.994 352 V HN 0.719 nan 8.190 nan 0.000 0.442 353 L N 4.957 126.226 121.223 0.077 0.000 2.280 353 L HA 0.634 4.973 4.340 -0.003 0.000 0.287 353 L C -0.067 176.832 176.870 0.048 0.000 1.023 353 L CA -0.030 54.858 54.840 0.080 0.000 0.819 353 L CB 1.538 43.630 42.059 0.055 0.000 1.212 353 L HN 0.642 nan 8.230 nan 0.000 0.420 354 V N 2.886 122.862 119.914 0.105 0.000 2.459 354 V HA 0.926 5.044 4.120 -0.003 0.000 0.295 354 V C 0.043 176.171 176.094 0.056 0.000 1.029 354 V CA -0.523 61.806 62.300 0.049 0.000 0.874 354 V CB 1.504 33.366 31.823 0.065 0.000 0.985 354 V HN 0.850 nan 8.190 nan 0.000 0.438 355 A N 2.762 125.587 122.820 0.009 0.000 2.539 355 A HA 0.833 5.152 4.320 -0.003 0.000 0.296 355 A C -0.028 177.556 177.584 0.001 0.000 1.073 355 A CA -0.418 51.628 52.037 0.016 0.000 0.700 355 A CB 1.716 20.726 19.000 0.016 0.000 1.296 355 A HN 0.925 nan 8.150 nan 0.000 0.405 356 T N -0.646 113.913 114.554 0.009 0.000 2.926 356 T HA 0.441 4.790 4.350 -0.003 0.000 0.307 356 T C -0.319 174.382 174.700 0.002 0.000 1.059 356 T CA 0.061 62.162 62.100 0.003 0.000 1.122 356 T CB 0.483 69.356 68.868 0.009 0.000 0.972 356 T HN 1.258 nan 8.240 nan 0.000 0.545 357 L N 3.211 124.432 121.223 -0.003 0.000 2.406 357 L HA 0.460 4.798 4.340 -0.003 0.000 0.270 357 L C -0.593 176.279 176.870 0.002 0.000 0.982 357 L CA -0.493 54.350 54.840 0.004 0.000 0.843 357 L CB 1.449 43.508 42.059 -0.000 0.000 1.225 357 L HN 0.969 nan 8.230 nan 0.000 0.412 358 D N 2.244 122.649 120.400 0.009 0.000 2.447 358 D HA 0.094 4.733 4.640 -0.003 0.000 0.265 358 D C 0.485 176.790 176.300 0.009 0.000 1.250 358 D CA -0.126 53.879 54.000 0.008 0.000 1.046 358 D CB 0.588 41.394 40.800 0.011 0.000 1.095 358 D HN 0.609 nan 8.370 nan 0.000 0.555 359 E N -1.273 118.933 120.200 0.010 0.000 2.338 359 E HA -0.119 4.229 4.350 -0.003 0.000 0.197 359 E C 1.282 177.893 176.600 0.019 0.000 1.007 359 E CA 0.619 57.026 56.400 0.012 0.000 0.849 359 E CB 0.049 29.758 29.700 0.014 0.000 0.774 359 E HN 0.408 nan 8.360 nan 0.000 0.506 360 Q N 0.108 119.920 119.800 0.020 0.000 2.360 360 Q HA 0.123 4.462 4.340 -0.003 0.000 0.202 360 Q C 0.025 176.043 176.000 0.030 0.000 0.915 360 Q CA 0.005 55.823 55.803 0.025 0.000 0.943 360 Q CB 0.392 29.143 28.738 0.021 0.000 1.064 360 Q HN 0.192 nan 8.270 nan 0.000 0.511 361 R N 0.648 121.166 120.500 0.030 0.000 3.532 361 R HA -0.136 4.202 4.340 -0.003 0.000 0.284 361 R C -0.957 175.368 176.300 0.042 0.000 1.140 361 R CA 0.300 56.424 56.100 0.040 0.000 0.768 361 R CB -2.373 27.960 30.300 0.055 0.000 1.252 361 R HN 0.411 nan 8.270 nan 0.000 0.454 362 N N 0.631 119.349 118.700 0.031 0.000 2.472 362 N HA 0.347 5.086 4.740 -0.003 0.000 0.277 362 N C -0.186 175.339 175.510 0.026 0.000 1.081 362 N CA -0.395 52.672 53.050 0.028 0.000 0.973 362 N CB 1.018 39.518 38.487 0.021 0.000 1.105 362 N HN 0.066 nan 8.380 nan 0.000 0.470 363 L N 1.486 122.726 121.223 0.028 0.000 2.312 363 L HA 0.442 4.780 4.340 -0.003 0.000 0.281 363 L C 1.318 178.199 176.870 0.018 0.000 1.070 363 L CA -0.552 54.303 54.840 0.025 0.000 0.805 363 L CB 1.058 43.136 42.059 0.032 0.000 1.174 363 L HN 0.634 nan 8.230 nan 0.000 0.434 364 G N 1.894 110.703 108.800 0.016 0.000 2.508 364 G HA2 0.177 4.136 3.960 -0.003 0.000 0.278 364 G HA3 0.177 4.136 3.960 -0.003 0.000 0.278 364 G C -0.297 174.612 174.900 0.016 0.000 1.389 364 G CA -0.525 44.585 45.100 0.015 0.000 1.050 364 G HN 0.501 nan 8.290 nan 0.000 0.522 365 E N -0.252 119.957 120.200 0.015 0.000 2.373 365 E HA 0.404 4.753 4.350 -0.003 0.000 0.267 365 E C 0.522 177.136 176.600 0.022 0.000 1.032 365 E CA -0.156 56.253 56.400 0.015 0.000 0.889 365 E CB 1.393 31.099 29.700 0.011 0.000 0.984 365 E HN 0.527 nan 8.360 nan 0.000 0.425 366 A N 2.964 125.797 122.820 0.023 0.000 2.340 366 A HA 0.240 4.559 4.320 -0.003 0.000 0.268 366 A C 0.061 177.665 177.584 0.033 0.000 1.100 366 A CA -0.275 51.783 52.037 0.034 0.000 0.803 366 A CB 0.595 19.615 19.000 0.033 0.000 1.043 366 A HN 0.584 nan 8.150 nan 0.000 0.488 367 Q N 0.885 120.724 119.800 0.065 0.000 2.356 367 Q HA 0.483 4.822 4.340 -0.003 0.000 0.270 367 Q C -0.643 175.386 176.000 0.047 0.000 1.058 367 Q CA -0.720 55.101 55.803 0.030 0.000 0.802 367 Q CB 1.423 30.203 28.738 0.069 0.000 1.303 367 Q HN 0.797 nan 8.270 nan 0.000 0.444 368 R N 3.451 123.894 120.500 -0.095 0.000 2.297 368 R HA 0.395 4.733 4.340 -0.003 0.000 0.308 368 R C -1.534 174.594 176.300 -0.287 0.000 1.029 368 R CA -0.072 55.988 56.100 -0.067 0.000 0.929 368 R CB 0.545 30.806 30.300 -0.065 0.000 1.046 368 R HN 0.469 nan 8.270 nan 0.000 0.461 369 F N 2.428 122.372 119.950 -0.011 0.000 2.507 369 F HA 0.289 4.814 4.527 -0.003 0.000 0.325 369 F C 0.172 175.969 175.800 -0.006 0.000 1.116 369 F CA -0.778 57.216 58.000 -0.009 0.000 0.930 369 F CB 1.941 40.932 39.000 -0.014 0.000 1.146 369 F HN 0.409 nan 8.300 nan 0.000 0.447 370 E N 2.283 122.556 120.200 0.122 0.000 2.338 370 E HA 0.603 4.952 4.350 -0.003 0.000 0.272 370 E C -0.671 175.987 176.600 0.098 0.000 1.029 370 E CA -0.417 56.033 56.400 0.082 0.000 0.872 370 E CB 1.271 30.996 29.700 0.041 0.000 1.015 370 E HN 0.623 nan 8.360 nan 0.000 0.417 371 A N 2.402 125.264 122.820 0.070 0.000 2.540 371 A HA 0.234 4.553 4.320 -0.003 0.000 0.297 371 A C -0.465 177.142 177.584 0.039 0.000 1.056 371 A CA -0.824 51.246 52.037 0.056 0.000 0.700 371 A CB 1.123 20.157 19.000 0.056 0.000 1.280 371 A HN 0.699 nan 8.150 nan 0.000 0.398 372 D N 0.676 121.093 120.400 0.028 0.000 2.346 372 D HA 0.189 4.827 4.640 -0.003 0.000 0.206 372 D C 0.209 176.520 176.300 0.018 0.000 1.001 372 D CA 0.592 54.604 54.000 0.019 0.000 0.871 372 D CB 0.252 41.058 40.800 0.011 0.000 0.943 372 D HN 0.271 nan 8.370 nan 0.000 0.518 373 V N 0.822 120.747 119.914 0.019 0.000 2.709 373 V HA 0.378 4.497 4.120 -0.003 0.000 0.308 373 V C -1.311 174.794 176.094 0.018 0.000 1.062 373 V CA -1.082 61.228 62.300 0.016 0.000 0.901 373 V CB 2.428 34.255 31.823 0.006 0.000 1.003 373 V HN 0.085 nan 8.190 nan 0.000 0.425 374 L N 4.598 125.839 121.223 0.029 0.000 2.316 374 L HA 0.842 5.181 4.340 -0.003 0.000 0.280 374 L C 0.336 177.208 176.870 0.004 0.000 1.006 374 L CA -0.288 54.566 54.840 0.022 0.000 0.836 374 L CB 1.122 43.222 42.059 0.069 0.000 1.221 374 L HN 0.769 nan 8.230 nan 0.000 0.418 375 A N 5.630 128.433 122.820 -0.028 0.000 2.376 375 A HA 0.599 4.918 4.320 -0.003 0.000 0.298 375 A C -0.549 176.998 177.584 -0.061 0.000 1.271 375 A CA -0.363 51.643 52.037 -0.051 0.000 0.926 375 A CB -0.035 18.934 19.000 -0.051 0.000 1.141 375 A HN 0.509 nan 8.150 nan 0.000 0.539 376 V N 2.648 122.526 119.914 -0.060 0.000 2.427 376 V HA 0.540 4.659 4.120 -0.003 0.000 0.286 376 V C 0.488 176.538 176.094 -0.073 0.000 1.034 376 V CA -0.256 62.026 62.300 -0.030 0.000 0.893 376 V CB 1.646 33.516 31.823 0.079 0.000 0.982 376 V HN 0.824 nan 8.190 nan 0.000 0.452 377 S N 3.137 118.788 115.700 -0.082 0.000 2.718 377 S HA 0.516 4.984 4.470 -0.003 0.000 0.294 377 S C 0.754 175.279 174.600 -0.125 0.000 1.157 377 S CA -0.027 58.091 58.200 -0.138 0.000 1.121 377 S CB 0.863 63.995 63.200 -0.113 0.000 1.015 377 S HN 0.998 nan 8.310 nan 0.000 0.479 378 G N 2.314 111.039 108.800 -0.125 0.000 3.314 378 G HA2 0.536 4.494 3.960 -0.003 0.000 0.238 378 G HA3 0.536 4.494 3.960 -0.003 0.000 0.238 378 G C 0.797 175.612 174.900 -0.141 0.000 1.184 378 G CA 0.139 45.182 45.100 -0.095 0.000 0.806 378 G HN 1.363 nan 8.290 nan 0.000 0.536 379 G N -0.705 107.935 108.800 -0.266 0.000 2.409 379 G HA2 0.148 4.107 3.960 -0.003 0.000 0.421 379 G HA3 0.148 4.107 3.960 -0.003 0.000 0.421 379 G C -1.148 173.394 174.900 -0.597 0.000 1.259 379 G CA -1.073 43.914 45.100 -0.190 0.000 1.011 379 G HN 0.384 nan 8.290 nan 0.000 0.497 380 F N 0.519 120.534 119.950 0.108 0.000 2.581 380 F HA 0.558 5.084 4.527 -0.003 0.000 0.311 380 F C -0.217 175.668 175.800 0.142 0.000 1.113 380 F CA -0.988 57.083 58.000 0.118 0.000 0.935 380 F CB 2.585 41.624 39.000 0.064 0.000 1.232 380 F HN 0.326 nan 8.300 nan 0.000 0.445 381 N N 3.615 122.510 118.700 0.324 0.000 2.501 381 N HA 0.338 5.077 4.740 -0.003 0.000 0.245 381 N C -2.852 172.809 175.510 0.251 0.000 0.974 381 N CA -1.713 51.520 53.050 0.306 0.000 0.941 381 N CB 1.551 40.255 38.487 0.363 0.000 1.122 381 N HN 0.105 nan 8.380 nan 0.000 0.507 382 P HA -0.082 nan 4.420 nan 0.000 0.264 382 P C -0.055 177.309 177.300 0.107 0.000 1.179 382 P CA 0.101 63.254 63.100 0.088 0.000 0.763 382 P CB 0.683 32.409 31.700 0.043 0.000 0.806 383 V N 4.668 124.594 119.914 0.020 0.000 2.223 383 V HA -0.009 4.110 4.120 -0.003 0.000 0.249 383 V C 1.539 177.686 176.094 0.089 0.000 1.233 383 V CA 0.195 62.541 62.300 0.076 0.000 1.131 383 V CB -0.123 31.574 31.823 -0.210 0.000 1.298 383 V HN 0.462 nan 8.190 nan 0.000 0.498 384 V N -0.112 119.857 119.914 0.092 0.000 3.649 384 V HA 0.024 4.143 4.120 -0.003 0.000 0.275 384 V C 1.912 177.859 176.094 -0.244 0.000 1.281 384 V CA 0.568 62.793 62.300 -0.124 0.000 1.143 384 V CB -1.260 30.429 31.823 -0.224 0.000 0.892 384 V HN 0.735 nan 8.190 nan 0.000 0.441 385 H N 1.553 120.422 119.070 -0.334 0.000 2.289 385 H HA -0.147 4.408 4.556 -0.003 0.000 0.294 385 H C 2.044 177.273 175.328 -0.165 0.000 1.095 385 H CA 2.564 58.470 56.048 -0.236 0.000 1.256 385 H CB -0.696 29.213 29.762 0.244 0.000 1.359 385 H HN 0.413 nan 8.280 nan 0.000 0.487 386 L N -0.658 120.557 121.223 -0.012 0.000 2.093 386 L HA -0.171 4.168 4.340 -0.003 0.000 0.208 386 L C 2.633 179.462 176.870 -0.069 0.000 1.085 386 L CA 1.396 56.197 54.840 -0.065 0.000 0.755 386 L CB -0.573 41.415 42.059 -0.118 0.000 0.904 386 L HN 0.479 nan 8.230 nan 0.000 0.435 387 H N 0.194 119.172 119.070 -0.153 0.000 2.290 387 H HA -0.152 4.402 4.556 -0.003 0.000 0.298 387 H C 2.189 177.427 175.328 -0.150 0.000 1.087 387 H CA 2.001 57.963 56.048 -0.143 0.000 1.291 387 H CB 0.343 30.020 29.762 -0.142 0.000 1.369 387 H HN 0.252 nan 8.280 nan 0.000 0.492 388 S N 0.775 116.328 115.700 -0.244 0.000 2.428 388 S HA -0.092 4.377 4.470 -0.003 0.000 0.230 388 S C 2.054 176.584 174.600 -0.117 0.000 1.014 388 S CA 0.603 58.655 58.200 -0.247 0.000 0.957 388 S CB -0.097 62.900 63.200 -0.338 0.000 0.784 388 S HN 0.510 nan 8.310 nan 0.000 0.499 389 Q N 0.598 120.348 119.800 -0.083 0.000 2.234 389 Q HA -0.018 4.320 4.340 -0.003 0.000 0.206 389 Q C 1.131 177.065 176.000 -0.109 0.000 0.980 389 Q CA 0.801 56.568 55.803 -0.060 0.000 0.869 389 Q CB -0.047 28.633 28.738 -0.097 0.000 0.912 389 Q HN 0.226 nan 8.270 nan 0.000 0.436 390 R N 0.648 121.055 120.500 -0.155 0.000 2.568 390 R HA 0.058 4.396 4.340 -0.003 0.000 0.288 390 R C -0.190 176.019 176.300 -0.152 0.000 1.077 390 R CA 0.050 56.066 56.100 -0.139 0.000 1.102 390 R CB 0.344 30.558 30.300 -0.143 0.000 1.278 390 R HN 0.222 nan 8.270 nan 0.000 0.560 391 Q N -1.503 118.212 119.800 -0.141 0.000 2.480 391 Q HA -0.155 4.183 4.340 -0.003 0.000 0.265 391 Q C 0.396 176.272 176.000 -0.207 0.000 1.072 391 Q CA 1.175 56.904 55.803 -0.124 0.000 1.018 391 Q CB -2.084 26.613 28.738 -0.068 0.000 1.433 391 Q HN 0.545 nan 8.270 nan 0.000 0.513 392 G N 0.472 109.009 108.800 -0.438 0.000 2.432 392 G HA2 0.283 4.242 3.960 -0.003 0.000 0.239 392 G HA3 0.283 4.242 3.960 -0.003 0.000 0.239 392 G C -0.087 174.652 174.900 -0.268 0.000 1.291 392 G CA -0.475 44.200 45.100 -0.708 0.000 0.863 392 G HN 0.088 nan 8.290 nan 0.000 0.560 393 K N 0.521 120.926 120.400 0.010 0.000 2.087 393 K HA 0.521 4.840 4.320 -0.003 0.000 0.255 393 K C -0.212 176.528 176.600 0.232 0.000 0.988 393 K CA -0.390 55.962 56.287 0.109 0.000 0.915 393 K CB 1.435 33.985 32.500 0.085 0.000 1.043 393 K HN 0.278 nan 8.250 nan 0.000 0.457 394 L N 1.735 123.071 121.223 0.188 0.000 2.354 394 L HA 0.412 4.750 4.340 -0.003 0.000 0.269 394 L C -0.399 176.629 176.870 0.264 0.000 1.005 394 L CA -1.160 53.818 54.840 0.230 0.000 0.819 394 L CB 1.715 43.928 42.059 0.257 0.000 1.311 394 L HN 0.538 nan 8.230 nan 0.000 0.423 395 N N 0.522 119.368 118.700 0.243 0.000 2.384 395 N HA 0.286 5.024 4.740 -0.003 0.000 0.301 395 N C -1.358 174.312 175.510 0.266 0.000 1.133 395 N CA -0.488 52.694 53.050 0.221 0.000 0.853 395 N CB 2.440 40.991 38.487 0.107 0.000 1.241 395 N HN 0.573 nan 8.380 nan 0.000 0.502 396 W N 2.169 123.476 121.300 0.011 0.000 2.322 396 W HA 0.143 4.801 4.660 -0.003 0.000 0.307 396 W C -0.623 175.834 176.519 -0.104 0.000 1.220 396 W CA -0.166 57.070 57.345 -0.181 0.000 1.210 396 W CB 0.683 29.983 29.460 -0.267 0.000 1.223 396 W HN 0.405 nan 8.180 nan 0.000 0.511 397 D N 4.556 124.536 120.400 -0.700 0.000 2.359 397 D HA 0.015 4.654 4.640 -0.003 0.000 0.230 397 D C 1.243 177.095 176.300 -0.746 0.000 1.118 397 D CA 0.020 53.697 54.000 -0.538 0.000 0.844 397 D CB 1.365 41.922 40.800 -0.404 0.000 1.059 397 D HN 0.451 nan 8.370 nan 0.000 0.493 398 T N 0.045 114.346 114.554 -0.421 0.000 3.148 398 T HA -0.054 4.294 4.350 -0.003 0.000 0.253 398 T C 1.581 175.918 174.700 -0.604 0.000 1.134 398 T CA 0.428 62.309 62.100 -0.365 0.000 1.051 398 T CB 0.278 69.135 68.868 -0.018 0.000 0.959 398 T HN 0.192 nan 8.240 nan 0.000 0.525 399 S N 1.623 117.040 115.700 -0.473 0.000 2.387 399 S HA 0.127 4.595 4.470 -0.003 0.000 0.221 399 S C 1.843 176.208 174.600 -0.393 0.000 1.041 399 S CA 0.515 58.498 58.200 -0.361 0.000 0.959 399 S CB -0.337 62.744 63.200 -0.198 0.000 0.843 399 S HN 0.741 nan 8.310 nan 0.000 0.488 400 I N -2.489 117.857 120.570 -0.373 0.000 3.968 400 I HA 0.361 4.529 4.170 -0.003 0.000 0.328 400 I C -0.488 175.537 176.117 -0.154 0.000 1.290 400 I CA -0.070 61.124 61.300 -0.176 0.000 1.163 400 I CB -0.392 37.554 38.000 -0.090 0.000 1.024 400 I HN 0.188 nan 8.210 nan 0.000 0.413 401 H N 1.645 120.540 119.070 -0.292 0.000 2.794 401 H HA -0.030 4.525 4.556 -0.003 0.000 0.334 401 H C -0.062 174.849 175.328 -0.696 0.000 1.154 401 H CA 0.613 56.421 56.048 -0.399 0.000 1.129 401 H CB -1.415 28.479 29.762 0.220 0.000 1.600 401 H HN 0.749 nan 8.280 nan 0.000 0.410 402 A N 1.116 123.163 122.820 -1.288 0.000 2.608 402 A HA 0.606 4.924 4.320 -0.003 0.000 0.292 402 A C -0.799 176.357 177.584 -0.714 0.000 1.066 402 A CA -0.885 50.753 52.037 -0.665 0.000 0.676 402 A CB 1.072 19.992 19.000 -0.134 0.000 1.277 402 A HN 0.085 nan 8.150 nan 0.000 0.413 403 F N 0.927 120.887 119.950 0.017 0.000 2.456 403 F HA 0.455 4.980 4.527 -0.003 0.000 0.358 403 F C 0.884 176.694 175.800 0.017 0.000 1.095 403 F CA 0.360 58.436 58.000 0.127 0.000 1.216 403 F CB 1.380 40.537 39.000 0.262 0.000 1.125 403 F HN 0.534 nan 8.300 nan 0.000 0.549 404 V N 1.327 121.326 119.914 0.142 0.000 3.001 404 V HA 0.709 4.828 4.120 -0.003 0.000 0.314 404 V C -2.863 173.235 176.094 0.007 0.000 1.099 404 V CA -3.277 59.038 62.300 0.025 0.000 0.989 404 V CB 1.843 33.633 31.823 -0.054 0.000 1.040 404 V HN 0.387 nan 8.190 nan 0.000 0.434 405 P HA 0.387 nan 4.420 nan 0.000 0.271 405 P C 0.108 177.334 177.300 -0.122 0.000 1.216 405 P CA 0.420 63.344 63.100 -0.293 0.000 0.776 405 P CB 0.951 32.197 31.700 -0.757 0.000 0.881 406 A N 3.324 126.149 122.820 0.010 0.000 3.720 406 A HA 0.146 4.464 4.320 -0.003 0.000 0.157 406 A C 0.229 177.830 177.584 0.029 0.000 1.736 406 A CA 0.227 52.290 52.037 0.043 0.000 1.289 406 A CB -0.843 18.213 19.000 0.093 0.000 1.598 406 A HN 0.436 nan 8.150 nan 0.000 0.692 407 D N 0.536 120.976 120.400 0.067 0.000 2.414 407 D HA 0.445 5.083 4.640 -0.003 0.000 0.242 407 D C 0.366 176.738 176.300 0.119 0.000 1.129 407 D CA 0.819 54.850 54.000 0.051 0.000 0.885 407 D CB 0.929 41.751 40.800 0.036 0.000 1.198 407 D HN 0.619 nan 8.370 nan 0.000 0.437 408 A N 2.113 124.963 122.820 0.049 0.000 2.483 408 A HA 0.179 4.497 4.320 -0.003 0.000 0.238 408 A C 0.540 178.154 177.584 0.051 0.000 1.070 408 A CA -0.439 51.639 52.037 0.068 0.000 0.770 408 A CB 0.307 19.272 19.000 -0.058 0.000 1.008 408 A HN 0.402 nan 8.150 nan 0.000 0.497 409 V N 1.478 121.423 119.914 0.051 0.000 3.178 409 V HA 0.248 4.366 4.120 -0.003 0.000 0.306 409 V C 1.354 177.420 176.094 -0.048 0.000 1.107 409 V CA 0.264 62.544 62.300 -0.033 0.000 1.195 409 V CB 0.393 32.173 31.823 -0.071 0.000 0.993 409 V HN 1.221 nan 8.190 nan 0.000 0.493 410 A N 4.117 126.911 122.820 -0.043 0.000 2.567 410 A HA 0.184 4.503 4.320 -0.003 0.000 0.240 410 A C 1.052 178.608 177.584 -0.046 0.000 1.053 410 A CA 0.295 52.307 52.037 -0.042 0.000 0.755 410 A CB -0.586 18.402 19.000 -0.021 0.000 0.978 410 A HN 1.143 nan 8.150 nan 0.000 0.507 411 N N 0.112 118.770 118.700 -0.070 0.000 2.776 411 N HA -0.138 4.600 4.740 -0.003 0.000 0.250 411 N C -0.337 175.148 175.510 -0.041 0.000 1.112 411 N CA 1.688 54.720 53.050 -0.031 0.000 0.733 411 N CB -1.240 37.265 38.487 0.029 0.000 1.097 411 N HN 0.897 nan 8.380 nan 0.000 0.558 412 Q N -0.629 119.067 119.800 -0.173 0.000 2.458 412 Q HA 0.621 4.959 4.340 -0.003 0.000 0.282 412 Q C -0.970 174.794 176.000 -0.393 0.000 1.106 412 Q CA -0.561 55.170 55.803 -0.120 0.000 0.814 412 Q CB 1.955 30.674 28.738 -0.030 0.000 1.425 412 Q HN 0.330 nan 8.270 nan 0.000 0.437 413 H N -0.473 118.594 119.070 -0.005 0.000 2.930 413 H HA 0.558 5.112 4.556 -0.003 0.000 0.371 413 H C -1.295 174.011 175.328 -0.036 0.000 1.169 413 H CA -0.521 55.517 56.048 -0.018 0.000 1.157 413 H CB 1.497 31.248 29.762 -0.018 0.000 1.789 413 H HN 0.294 nan 8.280 nan 0.000 0.547 414 L N 1.671 122.923 121.223 0.050 0.000 2.385 414 L HA 0.887 5.225 4.340 -0.003 0.000 0.273 414 L C -0.509 176.347 176.870 -0.024 0.000 0.990 414 L CA -0.788 54.036 54.840 -0.026 0.000 0.821 414 L CB 1.836 43.838 42.059 -0.095 0.000 1.279 414 L HN 0.739 nan 8.230 nan 0.000 0.412 415 A N 1.855 124.651 122.820 -0.041 0.000 2.556 415 A HA 0.965 5.284 4.320 -0.003 0.000 0.294 415 A C -0.045 177.502 177.584 -0.061 0.000 1.091 415 A CA -0.043 51.968 52.037 -0.044 0.000 0.704 415 A CB 1.644 20.625 19.000 -0.033 0.000 1.300 415 A HN 1.098 nan 8.150 nan 0.000 0.406 416 G N -0.473 108.288 108.800 -0.065 0.000 2.681 416 G HA2 0.288 4.247 3.960 -0.003 0.000 0.220 416 G HA3 0.288 4.247 3.960 -0.003 0.000 0.220 416 G C 1.126 175.974 174.900 -0.086 0.000 1.353 416 G CA 0.729 45.784 45.100 -0.076 0.000 0.872 416 G HN 2.267 nan 8.290 nan 0.000 0.557 417 A N -1.110 121.654 122.820 -0.095 0.000 2.042 417 A HA 0.023 4.342 4.320 -0.003 0.000 0.222 417 A C 2.616 180.153 177.584 -0.078 0.000 1.167 417 A CA 2.870 54.847 52.037 -0.100 0.000 0.649 417 A CB -0.385 18.546 19.000 -0.114 0.000 0.809 417 A HN 2.011 nan 8.150 nan 0.000 0.457 418 L N 0.669 121.844 121.223 -0.080 0.000 2.051 418 L HA -0.189 4.150 4.340 -0.003 0.000 0.214 418 L C 2.540 179.356 176.870 -0.091 0.000 1.076 418 L CA 3.004 57.794 54.840 -0.083 0.000 0.758 418 L CB -1.057 40.942 42.059 -0.099 0.000 0.890 418 L HN 0.583 nan 8.230 nan 0.000 0.433 419 T N -3.981 110.518 114.554 -0.092 0.000 3.148 419 T HA 0.333 4.682 4.350 -0.003 0.000 0.253 419 T C 1.467 176.115 174.700 -0.087 0.000 1.134 419 T CA 0.505 62.548 62.100 -0.095 0.000 1.051 419 T CB -0.196 68.622 68.868 -0.084 0.000 0.959 419 T HN 0.742 nan 8.240 nan 0.000 0.525 420 G N 0.988 109.739 108.800 -0.081 0.000 2.194 420 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.236 420 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.236 420 G C -0.086 174.758 174.900 -0.093 0.000 0.987 420 G CA -0.101 44.947 45.100 -0.086 0.000 0.635 420 G HN 0.602 nan 8.290 nan 0.000 0.520 421 L N 1.330 122.497 121.223 -0.093 0.000 2.260 421 L HA 0.519 4.858 4.340 -0.003 0.000 0.289 421 L C 1.359 178.159 176.870 -0.117 0.000 1.057 421 L CA -0.572 54.209 54.840 -0.097 0.000 0.811 421 L CB 1.158 43.165 42.059 -0.087 0.000 1.184 421 L HN 0.060 nan 8.230 nan 0.000 0.429 422 L N 2.413 123.555 121.223 -0.135 0.000 2.769 422 L HA 0.166 4.504 4.340 -0.003 0.000 0.240 422 L C 0.321 177.082 176.870 -0.180 0.000 1.163 422 L CA -0.118 54.607 54.840 -0.192 0.000 0.962 422 L CB -0.190 41.718 42.059 -0.252 0.000 1.258 422 L HN 0.679 nan 8.230 nan 0.000 0.513 423 D N -2.013 118.305 120.400 -0.137 0.000 2.326 423 D HA 0.139 4.778 4.640 -0.003 0.000 0.248 423 D C 0.482 176.707 176.300 -0.125 0.000 1.001 423 D CA -0.420 53.506 54.000 -0.124 0.000 0.961 423 D CB 1.760 42.500 40.800 -0.101 0.000 1.183 423 D HN -0.253 nan 8.370 nan 0.000 0.502 424 T N 0.534 115.011 114.554 -0.128 0.000 2.857 424 T HA -0.021 4.327 4.350 -0.003 0.000 0.266 424 T C 1.898 176.505 174.700 -0.154 0.000 1.048 424 T CA 1.520 63.532 62.100 -0.146 0.000 1.139 424 T CB -0.294 68.479 68.868 -0.158 0.000 0.874 424 T HN 0.626 nan 8.240 nan 0.000 0.455 425 A N 1.641 124.380 122.820 -0.136 0.000 1.883 425 A HA -0.135 4.183 4.320 -0.003 0.000 0.217 425 A C 2.582 180.101 177.584 -0.109 0.000 1.186 425 A CA 2.122 54.083 52.037 -0.127 0.000 0.624 425 A CB -0.934 18.004 19.000 -0.103 0.000 0.822 425 A HN 0.459 nan 8.150 nan 0.000 0.444 426 S N -0.108 115.533 115.700 -0.098 0.000 2.402 426 S HA 0.018 4.487 4.470 -0.003 0.000 0.229 426 S C 2.259 176.807 174.600 -0.086 0.000 1.021 426 S CA 1.038 59.187 58.200 -0.085 0.000 0.974 426 S CB -0.464 62.687 63.200 -0.082 0.000 0.800 426 S HN 0.807 nan 8.310 nan 0.000 0.484 427 A N 1.768 124.527 122.820 -0.100 0.000 1.883 427 A HA -0.042 4.276 4.320 -0.003 0.000 0.217 427 A C 2.118 179.650 177.584 -0.087 0.000 1.186 427 A CA 1.274 53.255 52.037 -0.094 0.000 0.624 427 A CB -0.782 18.155 19.000 -0.105 0.000 0.822 427 A HN 0.452 nan 8.150 nan 0.000 0.444 428 L N -0.723 120.429 121.223 -0.118 0.000 2.093 428 L HA -0.136 4.202 4.340 -0.003 0.000 0.208 428 L C 2.936 179.765 176.870 -0.068 0.000 1.085 428 L CA 1.453 56.223 54.840 -0.116 0.000 0.755 428 L CB -0.417 41.515 42.059 -0.212 0.000 0.904 428 L HN 0.528 nan 8.230 nan 0.000 0.435 429 S N -0.380 115.276 115.700 -0.072 0.000 2.345 429 S HA -0.191 4.278 4.470 -0.003 0.000 0.220 429 S C 2.195 176.772 174.600 -0.039 0.000 1.031 429 S CA 1.941 60.111 58.200 -0.051 0.000 0.996 429 S CB -0.397 62.771 63.200 -0.054 0.000 0.882 429 S HN 0.602 nan 8.310 nan 0.000 0.445 430 T N -0.947 113.581 114.554 -0.043 0.000 2.788 430 T HA 0.044 4.392 4.350 -0.003 0.000 0.268 430 T C 1.989 176.672 174.700 -0.029 0.000 1.044 430 T CA 1.553 63.632 62.100 -0.034 0.000 1.139 430 T CB -1.448 67.395 68.868 -0.040 0.000 0.867 430 T HN 0.435 nan 8.240 nan 0.000 0.454 431 G N 1.615 110.396 108.800 -0.032 0.000 2.459 431 G HA2 -0.023 3.935 3.960 -0.003 0.000 0.217 431 G HA3 -0.023 3.935 3.960 -0.003 0.000 0.217 431 G C 1.964 176.852 174.900 -0.020 0.000 1.183 431 G CA 1.171 46.258 45.100 -0.023 0.000 0.776 431 G HN 0.769 nan 8.290 nan 0.000 0.552 432 A N 1.182 123.997 122.820 -0.009 0.000 1.865 432 A HA 0.207 4.526 4.320 -0.003 0.000 0.217 432 A C 2.859 180.429 177.584 -0.023 0.000 1.191 432 A CA 2.619 54.653 52.037 -0.006 0.000 0.623 432 A CB -0.967 18.037 19.000 0.008 0.000 0.826 432 A HN 0.918 nan 8.150 nan 0.000 0.444 433 A N -0.393 122.414 122.820 -0.023 0.000 1.902 433 A HA -0.111 4.208 4.320 -0.003 0.000 0.217 433 A C 2.442 180.003 177.584 -0.039 0.000 1.181 433 A CA 2.645 54.668 52.037 -0.023 0.000 0.623 433 A CB -1.412 17.580 19.000 -0.012 0.000 0.818 433 A HN 0.784 nan 8.150 nan 0.000 0.443 434 T N -2.842 111.685 114.554 -0.045 0.000 2.857 434 T HA 0.066 4.415 4.350 -0.003 0.000 0.266 434 T C 1.905 176.478 174.700 -0.212 0.000 1.048 434 T CA 1.452 63.497 62.100 -0.092 0.000 1.139 434 T CB -0.828 68.030 68.868 -0.017 0.000 0.874 434 T HN 0.395 nan 8.240 nan 0.000 0.455 435 G N 1.350 110.071 108.800 -0.131 0.000 2.418 435 G HA2 0.072 4.030 3.960 -0.003 0.000 0.217 435 G HA3 0.072 4.030 3.960 -0.003 0.000 0.217 435 G C 1.911 176.736 174.900 -0.125 0.000 1.158 435 G CA 0.765 45.786 45.100 -0.132 0.000 0.771 435 G HN 0.722 nan 8.290 nan 0.000 0.545 436 A N 1.079 123.846 122.820 -0.088 0.000 1.930 436 A HA 0.318 4.636 4.320 -0.003 0.000 0.217 436 A C 2.771 180.312 177.584 -0.071 0.000 1.175 436 A CA 2.136 54.138 52.037 -0.058 0.000 0.627 436 A CB -0.662 18.320 19.000 -0.030 0.000 0.815 436 A HN 0.740 nan 8.150 nan 0.000 0.443 437 A N -0.341 122.410 122.820 -0.116 0.000 1.968 437 A HA 0.263 4.581 4.320 -0.003 0.000 0.217 437 A C 2.430 179.889 177.584 -0.208 0.000 1.169 437 A CA 1.773 53.745 52.037 -0.109 0.000 0.638 437 A CB -0.779 18.200 19.000 -0.034 0.000 0.812 437 A HN 0.915 nan 8.150 nan 0.000 0.446 438 A N 0.000 122.544 122.820 -0.461 0.000 1.872 438 A HA 0.247 4.565 4.320 -0.003 0.000 0.214 438 A C 2.519 180.051 177.584 -0.088 0.000 1.187 438 A CA 1.833 53.636 52.037 -0.391 0.000 0.614 438 A CB -1.109 17.641 19.000 -0.418 0.000 0.826 438 A HN 0.991 nan 8.150 nan 0.000 0.442 439 A N -0.070 122.710 122.820 -0.067 0.000 1.873 439 A HA -0.155 4.163 4.320 -0.003 0.000 0.218 439 A C 2.457 180.108 177.584 0.111 0.000 1.193 439 A CA 2.412 54.472 52.037 0.038 0.000 0.629 439 A CB -1.116 17.895 19.000 0.018 0.000 0.826 439 A HN 0.488 nan 8.150 nan 0.000 0.447 440 S N 0.028 115.762 115.700 0.057 0.000 2.359 440 S HA -0.105 4.363 4.470 -0.003 0.000 0.224 440 S C 2.256 176.892 174.600 0.059 0.000 1.035 440 S CA 1.366 59.600 58.200 0.056 0.000 1.018 440 S CB -0.590 62.628 63.200 0.030 0.000 0.876 440 S HN 0.865 nan 8.310 nan 0.000 0.448 441 A N 1.044 123.905 122.820 0.068 0.000 2.019 441 A HA 0.248 4.566 4.320 -0.003 0.000 0.219 441 A C 2.078 179.716 177.584 0.091 0.000 1.164 441 A CA 1.411 53.499 52.037 0.086 0.000 0.644 441 A CB -0.636 18.448 19.000 0.141 0.000 0.805 441 A HN 0.521 nan 8.150 nan 0.000 0.449 442 A N -2.029 120.863 122.820 0.119 0.000 2.251 442 A HA 0.444 4.763 4.320 -0.003 0.000 0.209 442 A C 1.569 179.248 177.584 0.159 0.000 1.187 442 A CA 1.098 53.231 52.037 0.161 0.000 0.823 442 A CB -0.635 18.485 19.000 0.201 0.000 0.846 442 A HN 1.762 nan 8.150 nan 0.000 0.486 443 G N -2.168 106.665 108.800 0.055 0.000 2.168 443 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.197 443 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.197 443 G C -0.175 174.496 174.900 -0.382 0.000 0.997 443 G CA -0.128 44.874 45.100 -0.163 0.000 0.658 443 G HN 0.363 nan 8.290 nan 0.000 0.513 444 F N 2.027 121.977 119.950 -0.000 0.000 2.451 444 F HA 0.442 4.967 4.527 -0.003 0.000 0.367 444 F C 0.548 176.341 175.800 -0.011 0.000 1.100 444 F CA -1.082 56.914 58.000 -0.006 0.000 1.171 444 F CB 1.282 40.277 39.000 -0.008 0.000 1.405 444 F HN 0.081 nan 8.300 nan 0.000 0.482 445 E N 3.497 123.746 120.200 0.082 0.000 2.465 445 E HA 0.039 4.387 4.350 -0.003 0.000 0.260 445 E C -0.659 175.979 176.600 0.063 0.000 0.980 445 E CA 0.426 56.856 56.400 0.051 0.000 0.927 445 E CB 0.837 30.546 29.700 0.016 0.000 0.934 445 E HN 0.391 nan 8.360 nan 0.000 0.459 446 K N 4.463 124.887 120.400 0.041 0.000 2.525 446 K HA 0.315 4.634 4.320 -0.003 0.000 0.254 446 K C -1.478 175.130 176.600 0.012 0.000 0.934 446 K CA -0.658 55.645 56.287 0.027 0.000 0.802 446 K CB 0.892 33.404 32.500 0.021 0.000 1.295 446 K HN 0.290 nan 8.250 nan 0.000 0.433 447 I N 3.343 123.918 120.570 0.008 0.000 2.321 447 I HA 0.417 4.585 4.170 -0.003 0.000 0.291 447 I C 0.331 176.449 176.117 0.000 0.000 0.998 447 I CA -1.052 60.250 61.300 0.004 0.000 1.227 447 I CB 0.666 38.668 38.000 0.004 0.000 1.368 447 I HN 0.794 nan 8.210 nan 0.000 0.466 448 A N 6.088 128.906 122.820 -0.003 0.000 2.548 448 A HA 0.086 4.404 4.320 -0.003 0.000 0.247 448 A C 0.480 178.065 177.584 0.001 0.000 1.067 448 A CA 0.044 52.078 52.037 -0.004 0.000 0.757 448 A CB -0.129 18.866 19.000 -0.008 0.000 0.996 448 A HN 0.790 nan 8.150 nan 0.000 0.504 449 E N 2.708 122.911 120.200 0.006 0.000 2.158 449 E HA 0.506 4.855 4.350 -0.003 0.000 0.271 449 E C -1.445 175.168 176.600 0.022 0.000 0.911 449 E CA -0.630 55.777 56.400 0.013 0.000 0.767 449 E CB 1.338 31.048 29.700 0.017 0.000 1.120 449 E HN 0.365 nan 8.360 nan 0.000 0.405 450 V N 6.602 126.524 119.914 0.013 0.000 2.350 450 V HA 0.314 4.432 4.120 -0.003 0.000 0.276 450 V C -2.115 173.981 176.094 0.003 0.000 1.028 450 V CA -1.819 60.483 62.300 0.004 0.000 0.860 450 V CB 0.963 32.776 31.823 -0.017 0.000 0.990 450 V HN 0.757 nan 8.190 nan 0.000 0.453 451 P HA 0.197 nan 4.420 nan 0.000 0.269 451 P C -0.702 176.522 177.300 -0.127 0.000 1.209 451 P CA -0.229 62.851 63.100 -0.032 0.000 0.776 451 P CB 0.454 32.120 31.700 -0.057 0.000 0.876 452 Q N 0.966 120.683 119.800 -0.139 0.000 2.282 452 Q HA 0.730 5.068 4.340 -0.003 0.000 0.260 452 Q C -0.638 175.257 176.000 -0.174 0.000 0.964 452 Q CA -0.552 55.175 55.803 -0.126 0.000 0.880 452 Q CB 2.554 31.246 28.738 -0.076 0.000 1.286 452 Q HN 0.496 nan 8.270 nan 0.000 0.445 453 A N 2.521 125.249 122.820 -0.154 0.000 2.475 453 A HA 0.653 4.972 4.320 -0.003 0.000 0.301 453 A C -0.605 176.914 177.584 -0.108 0.000 1.059 453 A CA -0.732 51.213 52.037 -0.153 0.000 0.710 453 A CB 1.019 19.907 19.000 -0.187 0.000 1.288 453 A HN 0.681 nan 8.150 nan 0.000 0.408 454 L N 1.312 122.480 121.223 -0.093 0.000 2.499 454 L HA 0.301 4.640 4.340 -0.003 0.000 0.281 454 L C 1.206 178.032 176.870 -0.073 0.000 1.234 454 L CA -0.111 54.686 54.840 -0.072 0.000 0.839 454 L CB 0.390 42.413 42.059 -0.061 0.000 1.104 454 L HN 0.854 nan 8.230 nan 0.000 0.500 455 A N 2.836 125.619 122.820 -0.061 0.000 2.488 455 A HA 0.411 4.729 4.320 -0.003 0.000 0.249 455 A C -0.169 177.381 177.584 -0.056 0.000 1.083 455 A CA -0.230 51.772 52.037 -0.059 0.000 0.768 455 A CB 0.177 19.147 19.000 -0.050 0.000 1.017 455 A HN 0.440 nan 8.150 nan 0.000 0.496 456 V N 6.145 126.024 119.914 -0.060 0.000 2.320 456 V HA 0.228 4.346 4.120 -0.003 0.000 0.268 456 V C -2.238 173.826 176.094 -0.051 0.000 1.021 456 V CA -1.110 61.158 62.300 -0.053 0.000 0.813 456 V CB 0.646 32.435 31.823 -0.057 0.000 1.054 456 V HN 0.858 nan 8.190 nan 0.000 0.444 457 P HA 0.300 nan 4.420 nan 0.000 0.268 457 P C 0.192 177.469 177.300 -0.037 0.000 1.205 457 P CA 0.124 63.199 63.100 -0.042 0.000 0.771 457 P CB 0.656 32.334 31.700 -0.037 0.000 0.858 458 A N 2.283 125.080 122.820 -0.039 0.000 2.466 458 A HA 0.508 4.827 4.320 -0.003 0.000 0.238 458 A C 0.802 178.376 177.584 -0.018 0.000 1.074 458 A CA 0.711 52.730 52.037 -0.031 0.000 0.774 458 A CB -0.340 18.636 19.000 -0.039 0.000 1.015 458 A HN 0.642 nan 8.150 nan 0.000 0.498 459 G N -0.370 108.429 108.800 -0.002 0.000 3.013 459 G HA2 0.522 4.481 3.960 -0.003 0.000 0.278 459 G HA3 0.522 4.481 3.960 -0.003 0.000 0.278 459 G C -0.414 174.499 174.900 0.021 0.000 1.353 459 G CA -0.485 44.619 45.100 0.007 0.000 1.043 459 G HN 0.924 nan 8.290 nan 0.000 0.523 460 E N -0.738 119.480 120.200 0.030 0.000 2.442 460 E HA 0.222 4.570 4.350 -0.003 0.000 0.262 460 E C -0.649 175.995 176.600 0.074 0.000 1.004 460 E CA 0.366 56.796 56.400 0.050 0.000 0.928 460 E CB 0.373 30.100 29.700 0.045 0.000 0.937 460 E HN 0.184 nan 8.360 nan 0.000 0.446 461 T N 5.065 119.687 114.554 0.112 0.000 2.786 461 T HA 0.257 4.605 4.350 -0.003 0.000 0.283 461 T C -0.299 174.482 174.700 0.134 0.000 0.992 461 T CA -0.567 61.616 62.100 0.138 0.000 0.954 461 T CB 0.885 69.867 68.868 0.191 0.000 0.934 461 T HN 0.407 nan 8.240 nan 0.000 0.440 462 R N 4.550 125.051 120.500 0.002 0.000 2.265 462 R HA 0.346 4.684 4.340 -0.003 0.000 0.314 462 R C -2.519 173.596 176.300 -0.310 0.000 1.053 462 R CA -1.903 54.127 56.100 -0.117 0.000 0.931 462 R CB 0.608 30.852 30.300 -0.094 0.000 1.024 462 R HN 0.288 nan 8.270 nan 0.000 0.457 463 P HA 0.080 nan 4.420 nan 0.000 0.282 463 P C -1.059 175.769 177.300 -0.787 0.000 1.262 463 P CA -0.186 62.400 63.100 -0.857 0.000 0.773 463 P CB 1.301 32.533 31.700 -0.781 0.000 0.879 464 V N 4.794 124.169 119.914 -0.899 0.000 2.385 464 V HA 0.190 4.308 4.120 -0.003 0.000 0.277 464 V C 0.327 176.159 176.094 -0.436 0.000 1.012 464 V CA -0.241 61.764 62.300 -0.491 0.000 0.832 464 V CB 0.755 32.442 31.823 -0.226 0.000 1.028 464 V HN 0.609 nan 8.190 nan 0.000 0.436 465 W N 3.670 125.020 121.300 0.083 0.000 2.737 465 W HA 0.403 5.061 4.660 -0.003 0.000 0.262 465 W C 0.263 176.856 176.519 0.124 0.000 1.282 465 W CA -0.174 57.230 57.345 0.099 0.000 1.386 465 W CB 0.675 30.175 29.460 0.066 0.000 1.099 465 W HN 0.435 nan 8.180 nan 0.000 0.621 466 L N 0.423 121.827 121.223 0.302 0.000 2.752 466 L HA 0.349 4.687 4.340 -0.003 0.000 0.257 466 L C -0.798 176.245 176.870 0.288 0.000 0.968 466 L CA -1.097 53.925 54.840 0.304 0.000 0.953 466 L CB 0.361 42.560 42.059 0.233 0.000 1.286 466 L HN -0.287 nan 8.230 nan 0.000 0.443 467 V N 6.694 126.810 119.914 0.337 0.000 2.521 467 V HA 0.276 4.394 4.120 -0.003 0.000 0.286 467 V C -1.703 174.645 176.094 0.423 0.000 1.034 467 V CA -0.923 61.558 62.300 0.302 0.000 1.045 467 V CB 0.482 32.461 31.823 0.261 0.000 0.974 467 V HN 0.647 nan 8.190 nan 0.000 0.480 468 P HA 0.036 nan 4.420 nan 0.000 0.268 468 P C -0.074 177.352 177.300 0.210 0.000 1.208 468 P CA 0.139 63.401 63.100 0.269 0.000 0.777 468 P CB 0.422 32.218 31.700 0.159 0.000 0.875 469 S N 1.322 117.014 115.700 -0.014 0.000 2.549 469 S HA 0.101 4.569 4.470 -0.003 0.000 0.279 469 S C 1.423 176.011 174.600 -0.020 0.000 1.321 469 S CA -0.421 57.753 58.200 -0.042 0.000 1.054 469 S CB -0.428 62.596 63.200 -0.294 0.000 0.899 469 S HN 0.303 nan 8.310 nan 0.000 0.497 470 L N 4.181 125.416 121.223 0.020 0.000 2.353 470 L HA -0.057 4.282 4.340 -0.003 0.000 0.220 470 L C 2.169 179.013 176.870 -0.043 0.000 1.133 470 L CA 0.826 55.667 54.840 0.002 0.000 0.798 470 L CB -0.290 41.784 42.059 0.024 0.000 0.922 470 L HN 0.597 nan 8.230 nan 0.000 0.445 471 S N -1.196 114.454 115.700 -0.083 0.000 2.503 471 S HA 0.377 4.846 4.470 -0.003 0.000 0.215 471 S C 0.711 175.046 174.600 -0.441 0.000 1.003 471 S CA 0.483 58.590 58.200 -0.155 0.000 0.910 471 S CB 0.758 63.949 63.200 -0.014 0.000 0.790 471 S HN 0.581 nan 8.310 nan 0.000 0.514 472 G N 0.517 109.031 108.800 -0.476 0.000 2.359 472 G HA2 0.175 4.134 3.960 -0.003 0.000 0.293 472 G HA3 0.175 4.134 3.960 -0.003 0.000 0.293 472 G C -1.476 173.273 174.900 -0.251 0.000 1.300 472 G CA -0.464 44.327 45.100 -0.515 0.000 0.888 472 G HN 0.008 nan 8.290 nan 0.000 0.541 473 D N -0.520 119.862 120.400 -0.029 0.000 2.417 473 D HA 0.138 4.776 4.640 -0.003 0.000 0.207 473 D C 0.408 176.914 176.300 0.344 0.000 1.075 473 D CA 0.244 54.362 54.000 0.196 0.000 0.851 473 D CB 0.662 41.529 40.800 0.111 0.000 0.976 473 D HN 0.430 nan 8.370 nan 0.000 0.505 474 D N -0.076 120.558 120.400 0.389 0.000 2.399 474 D HA 0.220 4.859 4.640 -0.003 0.000 0.241 474 D C 1.432 177.954 176.300 0.369 0.000 1.133 474 D CA -0.015 54.194 54.000 0.348 0.000 0.890 474 D CB 1.352 42.357 40.800 0.341 0.000 1.201 474 D HN -0.054 nan 8.370 nan 0.000 0.432 475 A N 2.794 125.707 122.820 0.155 0.000 1.869 475 A HA -0.231 4.087 4.320 -0.003 0.000 0.218 475 A C 2.376 179.996 177.584 0.061 0.000 1.203 475 A CA 1.863 53.965 52.037 0.108 0.000 0.638 475 A CB -1.232 17.753 19.000 -0.024 0.000 0.831 475 A HN 0.593 nan 8.150 nan 0.000 0.450 476 V N 0.547 120.380 119.914 -0.134 0.000 2.708 476 V HA -0.256 3.862 4.120 -0.003 0.000 0.264 476 V C 1.006 176.860 176.094 -0.401 0.000 1.124 476 V CA 2.217 64.329 62.300 -0.313 0.000 1.138 476 V CB -1.023 30.541 31.823 -0.431 0.000 0.706 476 V HN 0.695 nan 8.190 nan 0.000 0.493 477 H N -1.742 117.324 119.070 -0.006 0.000 2.533 477 H HA 0.271 4.825 4.556 -0.003 0.000 0.281 477 H C -0.488 174.509 175.328 -0.550 0.000 1.238 477 H CA -0.019 55.916 56.048 -0.188 0.000 1.024 477 H CB -0.120 29.507 29.762 -0.225 0.000 1.604 477 H HN 0.607 nan 8.280 nan 0.000 0.531 478 Y N -0.715 119.521 120.300 -0.108 0.000 3.091 478 Y HA 0.100 4.648 4.550 -0.003 0.000 0.284 478 Y C 1.395 177.145 175.900 -0.250 0.000 1.048 478 Y CA -0.324 57.642 58.100 -0.222 0.000 1.290 478 Y CB 0.404 38.667 38.460 -0.328 0.000 1.331 478 Y HN 0.004 nan 8.280 nan 0.000 0.597 479 K N -0.085 120.126 120.400 -0.314 0.000 2.486 479 K HA 0.117 4.435 4.320 -0.003 0.000 0.194 479 K C -0.148 175.824 176.600 -1.047 0.000 1.033 479 K CA 1.065 56.942 56.287 -0.684 0.000 1.004 479 K CB 0.047 31.985 32.500 -0.936 0.000 0.798 479 K HN 0.192 nan 8.250 nan 0.000 0.495 480 F N -0.933 118.935 119.950 -0.136 0.000 2.735 480 F HA 0.190 4.715 4.527 -0.003 0.000 0.308 480 F C -0.219 175.438 175.800 -0.238 0.000 1.112 480 F CA -0.752 57.093 58.000 -0.258 0.000 1.235 480 F CB 0.001 39.021 39.000 0.034 0.000 1.027 480 F HN -0.107 nan 8.300 nan 0.000 0.528 481 H N 0.464 119.395 119.070 -0.232 0.000 2.908 481 H HA 0.274 4.828 4.556 -0.003 0.000 0.269 481 H C -0.525 174.684 175.328 -0.197 0.000 1.303 481 H CA -0.752 55.247 56.048 -0.082 0.000 1.341 481 H CB -0.318 29.502 29.762 0.096 0.000 1.519 481 H HN -0.038 nan 8.280 nan 0.000 0.505 482 F N 1.857 121.827 119.950 0.034 0.000 2.456 482 F HA 0.060 4.585 4.527 -0.003 0.000 0.358 482 F C 1.142 176.948 175.800 0.009 0.000 1.095 482 F CA -0.142 57.863 58.000 0.009 0.000 1.216 482 F CB 0.894 39.865 39.000 -0.048 0.000 1.125 482 F HN 0.287 nan 8.300 nan 0.000 0.549 483 V N 0.265 120.285 119.914 0.178 0.000 2.908 483 V HA 0.029 4.148 4.120 -0.003 0.000 0.240 483 V C 0.031 176.194 176.094 0.114 0.000 1.117 483 V CA 0.760 63.139 62.300 0.133 0.000 1.133 483 V CB 0.132 32.014 31.823 0.098 0.000 0.857 483 V HN 0.664 nan 8.190 nan 0.000 0.478 484 D N 0.099 120.575 120.400 0.125 0.000 2.454 484 D HA 0.311 4.949 4.640 -0.003 0.000 0.247 484 D C 0.807 177.155 176.300 0.079 0.000 1.129 484 D CA -0.152 53.895 54.000 0.078 0.000 0.877 484 D CB 1.654 42.498 40.800 0.073 0.000 1.082 484 D HN 0.059 nan 8.370 nan 0.000 0.537 485 L N 2.503 123.695 121.223 -0.051 0.000 1.989 485 L HA -0.201 4.137 4.340 -0.003 0.000 0.211 485 L C 2.572 179.363 176.870 -0.132 0.000 1.071 485 L CA 1.303 56.034 54.840 -0.182 0.000 0.749 485 L CB -0.259 41.561 42.059 -0.398 0.000 0.890 485 L HN 0.483 nan 8.230 nan 0.000 0.431 486 Q N -0.237 119.502 119.800 -0.102 0.000 2.084 486 Q HA -0.185 4.154 4.340 -0.003 0.000 0.202 486 Q C 2.169 178.162 176.000 -0.012 0.000 0.978 486 Q CA 1.262 57.019 55.803 -0.077 0.000 0.844 486 Q CB 0.150 28.850 28.738 -0.063 0.000 0.898 486 Q HN 0.285 nan 8.270 nan 0.000 0.426 487 R N 0.733 121.268 120.500 0.059 0.000 2.316 487 R HA -0.035 4.304 4.340 -0.003 0.000 0.202 487 R C -0.153 176.306 176.300 0.265 0.000 1.029 487 R CA 0.517 56.718 56.100 0.168 0.000 1.018 487 R CB -0.329 30.052 30.300 0.135 0.000 0.888 487 R HN 0.313 nan 8.270 nan 0.000 0.471 488 D N 1.406 121.936 120.400 0.217 0.000 2.708 488 D HA -0.145 4.493 4.640 -0.003 0.000 0.236 488 D C -0.594 175.926 176.300 0.367 0.000 1.146 488 D CA 1.046 55.258 54.000 0.354 0.000 0.662 488 D CB -0.430 40.590 40.800 0.368 0.000 1.059 488 D HN 0.163 nan 8.370 nan 0.000 0.428 489 Q N -0.297 119.676 119.800 0.287 0.000 2.312 489 Q HA 0.619 4.957 4.340 -0.003 0.000 0.263 489 Q C 0.759 176.802 176.000 0.072 0.000 0.995 489 Q CA -0.330 55.554 55.803 0.134 0.000 0.853 489 Q CB 2.138 30.933 28.738 0.095 0.000 1.300 489 Q HN 0.364 nan 8.270 nan 0.000 0.448 490 T N -3.431 111.078 114.554 -0.074 0.000 2.888 490 T HA 0.430 4.779 4.350 -0.003 0.000 0.288 490 T C 1.148 175.800 174.700 -0.081 0.000 1.063 490 T CA -0.683 61.307 62.100 -0.182 0.000 1.010 490 T CB 0.645 69.271 68.868 -0.403 0.000 1.214 490 T HN 0.127 nan 8.240 nan 0.000 0.533 491 V N 1.212 121.101 119.914 -0.042 0.000 2.380 491 V HA -0.146 3.972 4.120 -0.003 0.000 0.251 491 V C 3.135 179.160 176.094 -0.116 0.000 1.063 491 V CA 2.553 64.815 62.300 -0.063 0.000 1.055 491 V CB -1.586 30.202 31.823 -0.058 0.000 0.657 491 V HN 1.061 nan 8.190 nan 0.000 0.455 492 A N -0.281 122.480 122.820 -0.099 0.000 1.933 492 A HA -0.252 4.066 4.320 -0.003 0.000 0.218 492 A C 2.025 179.554 177.584 -0.092 0.000 1.175 492 A CA 1.953 53.928 52.037 -0.104 0.000 0.628 492 A CB -0.526 18.397 19.000 -0.128 0.000 0.814 492 A HN 0.588 nan 8.150 nan 0.000 0.444 493 D N -0.179 120.174 120.400 -0.078 0.000 2.117 493 D HA -0.095 4.544 4.640 -0.003 0.000 0.198 493 D C 2.088 178.379 176.300 -0.015 0.000 0.982 493 D CA 1.444 55.431 54.000 -0.021 0.000 0.828 493 D CB -0.336 40.461 40.800 -0.006 0.000 0.967 493 D HN 0.250 nan 8.370 nan 0.000 0.464 494 V N 1.593 121.478 119.914 -0.047 0.000 2.332 494 V HA -0.228 3.891 4.120 -0.003 0.000 0.248 494 V C 2.690 178.711 176.094 -0.122 0.000 1.055 494 V CA 1.186 63.443 62.300 -0.072 0.000 1.038 494 V CB -0.501 31.280 31.823 -0.071 0.000 0.651 494 V HN 0.179 nan 8.190 nan 0.000 0.450 495 L N -0.430 120.713 121.223 -0.134 0.000 2.131 495 L HA -0.177 4.161 4.340 -0.003 0.000 0.210 495 L C 2.707 179.489 176.870 -0.146 0.000 1.092 495 L CA 1.660 56.410 54.840 -0.150 0.000 0.759 495 L CB -0.580 41.382 42.059 -0.162 0.000 0.903 495 L HN 0.273 nan 8.230 nan 0.000 0.435 496 R N 0.290 120.717 120.500 -0.121 0.000 2.092 496 R HA -0.152 4.187 4.340 -0.003 0.000 0.231 496 R C 2.313 178.421 176.300 -0.321 0.000 1.119 496 R CA 1.288 57.315 56.100 -0.121 0.000 0.970 496 R CB -0.142 30.163 30.300 0.008 0.000 0.864 496 R HN 0.334 nan 8.270 nan 0.000 0.440 497 A N 0.265 122.821 122.820 -0.440 0.000 1.873 497 A HA -0.149 4.170 4.320 -0.003 0.000 0.215 497 A C 2.206 179.508 177.584 -0.470 0.000 1.186 497 A CA 1.974 53.523 52.037 -0.815 0.000 0.616 497 A CB -0.976 17.709 19.000 -0.524 0.000 0.823 497 A HN 0.612 nan 8.150 nan 0.000 0.442 498 T N -2.702 111.685 114.554 -0.278 0.000 2.867 498 T HA 0.047 4.396 4.350 -0.003 0.000 0.268 498 T C 1.872 176.466 174.700 -0.176 0.000 1.057 498 T CA 1.437 63.421 62.100 -0.194 0.000 1.136 498 T CB -0.815 67.966 68.868 -0.145 0.000 0.874 498 T HN 0.416 nan 8.240 nan 0.000 0.466 499 G N 1.250 109.942 108.800 -0.180 0.000 2.432 499 G HA2 0.074 4.032 3.960 -0.003 0.000 0.219 499 G HA3 0.074 4.032 3.960 -0.003 0.000 0.219 499 G C 1.708 176.520 174.900 -0.147 0.000 1.135 499 G CA 0.557 45.572 45.100 -0.142 0.000 0.767 499 G HN 0.756 nan 8.290 nan 0.000 0.550 500 A N -0.627 122.063 122.820 -0.216 0.000 2.238 500 A HA 0.474 4.793 4.320 -0.003 0.000 0.208 500 A C 1.945 179.434 177.584 -0.158 0.000 1.177 500 A CA 1.387 53.311 52.037 -0.188 0.000 0.804 500 A CB -0.284 18.558 19.000 -0.263 0.000 0.823 500 A HN 1.539 nan 8.150 nan 0.000 0.482 501 G N -2.182 106.525 108.800 -0.156 0.000 2.192 501 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.193 501 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.193 501 G C 0.129 174.957 174.900 -0.119 0.000 0.999 501 G CA 0.023 45.051 45.100 -0.119 0.000 0.659 501 G HN 0.309 nan 8.290 nan 0.000 0.503 502 M N 0.447 119.950 119.600 -0.161 0.000 2.249 502 M HA 0.516 4.995 4.480 -0.003 0.000 0.351 502 M C 1.231 177.499 176.300 -0.053 0.000 1.180 502 M CA 0.340 55.578 55.300 -0.104 0.000 1.127 502 M CB 1.400 33.901 32.600 -0.165 0.000 1.546 502 M HN 0.228 nan 8.290 nan 0.000 0.461 503 Q N 0.145 119.955 119.800 0.016 0.000 2.313 503 Q HA 0.142 4.480 4.340 -0.003 0.000 0.263 503 Q C 0.318 176.311 176.000 -0.013 0.000 0.820 503 Q CA -0.147 55.647 55.803 -0.016 0.000 0.974 503 Q CB 1.049 29.773 28.738 -0.023 0.000 1.156 503 Q HN 0.768 nan 8.270 nan 0.000 0.517 504 S N 0.422 116.132 115.700 0.017 0.000 2.549 504 S HA 0.044 4.512 4.470 -0.003 0.000 0.283 504 S C 1.223 175.792 174.600 -0.052 0.000 1.320 504 S CA -0.347 57.818 58.200 -0.058 0.000 1.058 504 S CB 1.385 64.476 63.200 -0.180 0.000 0.882 504 S HN 0.201 nan 8.310 nan 0.000 0.498 505 V N 4.648 124.518 119.914 -0.074 0.000 2.568 505 V HA -0.101 4.017 4.120 -0.003 0.000 0.253 505 V C 2.209 178.265 176.094 -0.064 0.000 1.072 505 V CA 2.236 64.495 62.300 -0.068 0.000 1.084 505 V CB -0.680 31.090 31.823 -0.088 0.000 0.676 505 V HN 0.918 nan 8.190 nan 0.000 0.469 506 E N -0.792 119.346 120.200 -0.102 0.000 2.107 506 E HA -0.188 4.160 4.350 -0.003 0.000 0.191 506 E C 1.948 178.533 176.600 -0.026 0.000 0.982 506 E CA 1.596 57.934 56.400 -0.105 0.000 0.809 506 E CB -0.332 29.265 29.700 -0.172 0.000 0.756 506 E HN 0.820 nan 8.360 nan 0.000 0.459 507 H N -0.000 119.056 119.070 -0.023 0.000 2.363 507 H HA -0.035 4.519 4.556 -0.003 0.000 0.301 507 H C 2.039 177.376 175.328 0.015 0.000 1.074 507 H CA 0.559 56.605 56.048 -0.003 0.000 1.354 507 H CB 0.280 30.028 29.762 -0.023 0.000 1.397 507 H HN 0.042 nan 8.280 nan 0.000 0.516 508 I N 1.442 122.079 120.570 0.110 0.000 2.226 508 I HA -0.259 3.910 4.170 -0.003 0.000 0.245 508 I C 2.369 178.533 176.117 0.078 0.000 1.100 508 I CA 1.355 62.688 61.300 0.055 0.000 1.374 508 I CB -1.021 36.977 38.000 -0.004 0.000 1.057 508 I HN 0.272 nan 8.210 nan 0.000 0.413 509 K N 1.313 121.740 120.400 0.045 0.000 2.032 509 K HA -0.194 4.124 4.320 -0.003 0.000 0.209 509 K C 2.331 178.962 176.600 0.052 0.000 1.048 509 K CA 1.704 58.007 56.287 0.027 0.000 0.927 509 K CB -0.068 32.424 32.500 -0.013 0.000 0.712 509 K HN 0.191 nan 8.250 nan 0.000 0.441 510 R N -1.020 119.526 120.500 0.076 0.000 2.090 510 R HA -0.099 4.239 4.340 -0.003 0.000 0.228 510 R C 2.348 178.695 176.300 0.078 0.000 1.110 510 R CA 1.397 57.539 56.100 0.069 0.000 0.973 510 R CB -0.381 29.969 30.300 0.084 0.000 0.869 510 R HN 0.328 nan 8.270 nan 0.000 0.440 511 Y N 1.333 121.630 120.300 -0.005 0.000 2.181 511 Y HA -0.246 4.302 4.550 -0.003 0.000 0.288 511 Y C 2.565 178.442 175.900 -0.038 0.000 1.146 511 Y CA 2.028 60.110 58.100 -0.029 0.000 1.164 511 Y CB 0.004 38.440 38.460 -0.038 0.000 0.982 511 Y HN 0.112 nan 8.280 nan 0.000 0.515 512 T N -3.483 111.190 114.554 0.199 0.000 3.035 512 T HA 0.017 4.365 4.350 -0.003 0.000 0.259 512 T C 1.287 176.001 174.700 0.024 0.000 1.078 512 T CA 0.850 63.015 62.100 0.108 0.000 1.132 512 T CB -0.476 68.454 68.868 0.103 0.000 0.900 512 T HN 0.636 nan 8.240 nan 0.000 0.480 513 S N -0.070 115.644 115.700 0.023 0.000 2.931 513 S HA -0.158 4.310 4.470 -0.003 0.000 0.271 513 S C 0.028 174.647 174.600 0.032 0.000 1.309 513 S CA 0.293 58.503 58.200 0.016 0.000 1.181 513 S CB -2.946 60.256 63.200 0.003 0.000 1.435 513 S HN 0.696 nan 8.310 nan 0.000 0.670 514 I N 2.995 123.587 120.570 0.036 0.000 2.683 514 I HA 0.265 4.433 4.170 -0.003 0.000 0.286 514 I C 1.464 177.592 176.117 0.018 0.000 1.175 514 I CA 1.335 62.657 61.300 0.036 0.000 1.429 514 I CB 0.696 38.719 38.000 0.038 0.000 1.371 514 I HN 1.224 nan 8.210 nan 0.000 0.569 515 S N 2.277 117.989 115.700 0.021 0.000 3.091 515 S HA -0.198 4.270 4.470 -0.003 0.000 0.275 515 S C 0.804 175.405 174.600 0.001 0.000 1.306 515 S CA 0.937 59.141 58.200 0.007 0.000 1.083 515 S CB -2.250 60.938 63.200 -0.019 0.000 1.313 515 S HN 0.931 nan 8.310 nan 0.000 0.673 516 T N -1.554 113.007 114.554 0.012 0.000 3.105 516 T HA 0.741 5.089 4.350 -0.003 0.000 0.253 516 T C 0.888 175.599 174.700 0.019 0.000 1.047 516 T CA 0.589 62.696 62.100 0.012 0.000 0.944 516 T CB 0.497 69.374 68.868 0.015 0.000 1.016 516 T HN 1.428 nan 8.240 nan 0.000 0.544 517 A N 2.548 125.379 122.820 0.018 0.000 2.250 517 A HA 0.478 4.797 4.320 -0.003 0.000 0.283 517 A C 1.368 178.952 177.584 -0.001 0.000 1.206 517 A CA -0.150 51.894 52.037 0.011 0.000 0.840 517 A CB -0.077 18.927 19.000 0.006 0.000 1.220 517 A HN 0.577 nan 8.150 nan 0.000 0.505 518 N N -1.274 117.417 118.700 -0.014 0.000 2.571 518 N HA -0.121 4.617 4.740 -0.003 0.000 0.189 518 N C 0.322 175.812 175.510 -0.033 0.000 1.154 518 N CA 1.191 54.227 53.050 -0.023 0.000 0.907 518 N CB -0.013 38.455 38.487 -0.031 0.000 0.977 518 N HN 0.609 nan 8.380 nan 0.000 0.449 519 D N -0.792 119.592 120.400 -0.027 0.000 2.369 519 D HA -0.077 4.562 4.640 -0.003 0.000 0.211 519 D C -0.067 176.231 176.300 -0.003 0.000 1.077 519 D CA 0.037 54.017 54.000 -0.032 0.000 0.842 519 D CB -0.276 40.507 40.800 -0.028 0.000 0.947 519 D HN 0.069 nan 8.370 nan 0.000 0.509 520 Q N 0.163 119.970 119.800 0.011 0.000 2.435 520 Q HA -0.182 4.156 4.340 -0.003 0.000 0.312 520 Q C 1.079 177.119 176.000 0.067 0.000 1.333 520 Q CA 1.133 56.957 55.803 0.035 0.000 0.883 520 Q CB -2.291 26.479 28.738 0.052 0.000 1.170 520 Q HN 0.764 nan 8.270 nan 0.000 0.443 521 G N -0.683 108.150 108.800 0.056 0.000 2.143 521 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.249 521 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.249 521 G C 0.897 175.887 174.900 0.150 0.000 0.981 521 G CA 0.732 45.875 45.100 0.071 0.000 0.665 521 G HN 0.445 nan 8.290 nan 0.000 0.528 522 K N -0.318 120.184 120.400 0.170 0.000 2.147 522 K HA -0.041 4.278 4.320 -0.003 0.000 0.205 522 K C 2.634 179.365 176.600 0.218 0.000 1.049 522 K CA 1.910 58.346 56.287 0.249 0.000 0.936 522 K CB -0.122 32.439 32.500 0.102 0.000 0.722 522 K HN 0.638 nan 8.250 nan 0.000 0.446 523 T N -3.201 111.443 114.554 0.150 0.000 2.990 523 T HA 0.033 4.382 4.350 -0.003 0.000 0.250 523 T C 1.759 176.558 174.700 0.165 0.000 1.041 523 T CA 0.422 62.629 62.100 0.177 0.000 1.010 523 T CB 0.348 69.328 68.868 0.187 0.000 1.003 523 T HN 0.101 nan 8.240 nan 0.000 0.499 524 S N 0.498 116.274 115.700 0.127 0.000 2.502 524 S HA 0.361 4.829 4.470 -0.003 0.000 0.215 524 S C 2.162 176.831 174.600 0.116 0.000 1.009 524 S CA 0.420 58.686 58.200 0.110 0.000 0.908 524 S CB -0.450 62.791 63.200 0.068 0.000 0.801 524 S HN 0.499 nan 8.310 nan 0.000 0.505 525 G N 1.877 110.749 108.800 0.121 0.000 2.404 525 G HA2 -0.016 3.943 3.960 -0.003 0.000 0.213 525 G HA3 -0.016 3.943 3.960 -0.003 0.000 0.213 525 G C 1.339 176.310 174.900 0.118 0.000 1.189 525 G CA 0.986 46.132 45.100 0.076 0.000 0.796 525 G HN 0.422 nan 8.290 nan 0.000 0.532 526 V N 1.660 121.703 119.914 0.214 0.000 2.453 526 V HA -0.023 4.095 4.120 -0.003 0.000 0.247 526 V C 3.307 179.554 176.094 0.255 0.000 1.048 526 V CA 1.617 64.090 62.300 0.289 0.000 1.049 526 V CB -0.772 31.318 31.823 0.446 0.000 0.672 526 V HN 0.451 nan 8.190 nan 0.000 0.457 527 A N 0.628 123.620 122.820 0.287 0.000 1.903 527 A HA -0.289 4.030 4.320 -0.003 0.000 0.219 527 A C 2.441 180.137 177.584 0.187 0.000 1.191 527 A CA 2.691 54.904 52.037 0.294 0.000 0.638 527 A CB -0.929 18.218 19.000 0.246 0.000 0.823 527 A HN 0.610 nan 8.150 nan 0.000 0.451 528 A N -0.416 122.475 122.820 0.117 0.000 1.902 528 A HA -0.060 4.258 4.320 -0.003 0.000 0.217 528 A C 2.127 179.709 177.584 -0.003 0.000 1.181 528 A CA 1.505 53.575 52.037 0.055 0.000 0.623 528 A CB -0.609 18.413 19.000 0.036 0.000 0.818 528 A HN 0.531 nan 8.150 nan 0.000 0.443 529 I N -0.253 120.304 120.570 -0.021 0.000 2.226 529 I HA -0.212 3.956 4.170 -0.003 0.000 0.245 529 I C 2.671 178.628 176.117 -0.267 0.000 1.100 529 I CA 1.140 62.376 61.300 -0.107 0.000 1.374 529 I CB -0.597 37.385 38.000 -0.028 0.000 1.057 529 I HN 0.396 nan 8.210 nan 0.000 0.413 530 G N 0.386 108.982 108.800 -0.341 0.000 2.422 530 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.218 530 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.218 530 G C 1.710 176.528 174.900 -0.136 0.000 1.146 530 G CA 0.787 45.539 45.100 -0.580 0.000 0.769 530 G HN 0.242 nan 8.290 nan 0.000 0.547 531 V N 1.508 121.426 119.914 0.006 0.000 2.307 531 V HA -0.121 3.998 4.120 -0.003 0.000 0.245 531 V C 2.797 178.858 176.094 -0.055 0.000 1.045 531 V CA 1.067 63.382 62.300 0.025 0.000 1.024 531 V CB -0.332 31.518 31.823 0.045 0.000 0.651 531 V HN 0.240 nan 8.190 nan 0.000 0.449 532 I N 1.086 121.606 120.570 -0.083 0.000 2.163 532 I HA -0.246 3.922 4.170 -0.003 0.000 0.243 532 I C 2.716 178.760 176.117 -0.121 0.000 1.085 532 I CA 1.922 63.162 61.300 -0.101 0.000 1.347 532 I CB -1.923 36.016 38.000 -0.101 0.000 1.044 532 I HN 0.285 nan 8.210 nan 0.000 0.408 533 A N 0.823 123.542 122.820 -0.168 0.000 1.883 533 A HA -0.147 4.171 4.320 -0.003 0.000 0.217 533 A C 2.582 180.100 177.584 -0.109 0.000 1.186 533 A CA 2.434 54.362 52.037 -0.181 0.000 0.624 533 A CB -1.018 17.794 19.000 -0.313 0.000 0.822 533 A HN 0.430 nan 8.150 nan 0.000 0.444 534 A N -0.839 121.940 122.820 -0.069 0.000 1.877 534 A HA -0.031 4.288 4.320 -0.003 0.000 0.216 534 A C 2.245 179.799 177.584 -0.050 0.000 1.186 534 A CA 1.855 53.886 52.037 -0.011 0.000 0.620 534 A CB -1.000 18.034 19.000 0.057 0.000 0.822 534 A HN 0.431 nan 8.150 nan 0.000 0.443 535 V N -0.235 119.629 119.914 -0.083 0.000 2.515 535 V HA -0.142 3.977 4.120 -0.003 0.000 0.250 535 V C 2.132 178.170 176.094 -0.092 0.000 1.058 535 V CA 1.697 63.930 62.300 -0.111 0.000 1.064 535 V CB -0.397 31.344 31.823 -0.136 0.000 0.675 535 V HN 0.551 nan 8.190 nan 0.000 0.461 536 L N -0.108 121.064 121.223 -0.084 0.000 2.607 536 L HA 0.348 4.686 4.340 -0.003 0.000 0.228 536 L C 1.525 178.358 176.870 -0.062 0.000 1.123 536 L CA 0.652 55.447 54.840 -0.075 0.000 0.890 536 L CB -0.303 41.709 42.059 -0.079 0.000 1.103 536 L HN 0.487 nan 8.230 nan 0.000 0.468 537 G N 1.594 110.361 108.800 -0.055 0.000 2.295 537 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.287 537 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.287 537 G C 0.052 174.924 174.900 -0.047 0.000 1.055 537 G CA -0.116 44.959 45.100 -0.040 0.000 0.922 537 G HN 0.151 nan 8.290 nan 0.000 0.503 538 I N -0.007 120.521 120.570 -0.069 0.000 2.440 538 I HA 0.327 4.496 4.170 -0.003 0.000 0.294 538 I C 1.161 177.225 176.117 -0.088 0.000 0.995 538 I CA -0.916 60.332 61.300 -0.086 0.000 1.306 538 I CB 1.336 39.266 38.000 -0.117 0.000 1.407 538 I HN 0.126 nan 8.210 nan 0.000 0.501 539 E N 3.112 123.266 120.200 -0.077 0.000 2.099 539 E HA -0.016 4.332 4.350 -0.003 0.000 0.191 539 E C 0.600 177.127 176.600 -0.122 0.000 0.962 539 E CA 0.507 56.873 56.400 -0.057 0.000 0.826 539 E CB 0.175 29.864 29.700 -0.018 0.000 0.788 539 E HN 0.576 nan 8.360 nan 0.000 0.461 540 N N 2.026 120.624 118.700 -0.169 0.000 2.500 540 N HA 0.080 4.818 4.740 -0.003 0.000 0.236 540 N C -2.138 173.104 175.510 -0.448 0.000 1.022 540 N CA -1.749 51.127 53.050 -0.289 0.000 0.935 540 N CB 1.418 39.809 38.487 -0.161 0.000 1.147 540 N HN -0.288 nan 8.380 nan 0.000 0.512 541 P HA -0.215 nan 4.420 nan 0.000 0.218 541 P C 0.869 177.865 177.300 -0.507 0.000 1.150 541 P CA 1.163 63.739 63.100 -0.873 0.000 0.841 541 P CB 0.226 30.882 31.700 -1.739 0.000 0.784 542 A N -0.806 121.710 122.820 -0.508 0.000 2.070 542 A HA -0.250 4.069 4.320 -0.003 0.000 0.220 542 A C 2.177 179.763 177.584 0.004 0.000 1.159 542 A CA 1.395 53.424 52.037 -0.013 0.000 0.656 542 A CB -1.018 18.022 19.000 0.066 0.000 0.800 542 A HN 0.252 nan 8.150 nan 0.000 0.453 543 Q N -0.691 119.052 119.800 -0.096 0.000 2.167 543 Q HA -0.098 4.240 4.340 -0.003 0.000 0.202 543 Q C 1.830 177.791 176.000 -0.064 0.000 0.970 543 Q CA 1.050 56.813 55.803 -0.067 0.000 0.855 543 Q CB -0.169 28.515 28.738 -0.089 0.000 0.911 543 Q HN 0.626 nan 8.270 nan 0.000 0.438 544 I N -0.296 120.219 120.570 -0.091 0.000 2.193 544 I HA -0.035 4.133 4.170 -0.003 0.000 0.240 544 I C 1.429 177.518 176.117 -0.047 0.000 1.084 544 I CA 1.624 62.875 61.300 -0.082 0.000 1.365 544 I CB -1.657 36.273 38.000 -0.117 0.000 1.064 544 I HN 0.286 nan 8.210 nan 0.000 0.410 545 G N 1.072 109.882 108.800 0.017 0.000 2.828 545 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.463 545 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.463 545 G C 0.103 174.894 174.900 -0.181 0.000 1.394 545 G CA -0.079 45.003 45.100 -0.030 0.000 0.862 545 G HN 0.579 nan 8.290 nan 0.000 0.540 546 T N -2.290 112.069 114.554 -0.325 0.000 2.936 546 T HA 0.811 5.160 4.350 -0.003 0.000 0.282 546 T C 0.894 175.448 174.700 -0.244 0.000 1.003 546 T CA 0.549 62.443 62.100 -0.344 0.000 1.005 546 T CB 1.546 70.176 68.868 -0.396 0.000 1.097 546 T HN 1.996 nan 8.240 nan 0.000 0.532 547 T N -0.743 113.631 114.554 -0.300 0.000 2.874 547 T HA 0.420 4.768 4.350 -0.003 0.000 0.281 547 T C 0.285 174.775 174.700 -0.349 0.000 0.994 547 T CA -0.803 61.135 62.100 -0.270 0.000 1.015 547 T CB 0.075 68.798 68.868 -0.243 0.000 1.028 547 T HN 0.712 nan 8.240 nan 0.000 0.523 548 T N 2.143 116.573 114.554 -0.208 0.000 2.934 548 T HA 0.184 4.532 4.350 -0.003 0.000 0.306 548 T C -0.339 174.231 174.700 -0.217 0.000 1.042 548 T CA 0.221 62.249 62.100 -0.120 0.000 1.145 548 T CB -0.503 68.336 68.868 -0.049 0.000 0.982 548 T HN 0.431 nan 8.240 nan 0.000 0.544 549 F N 3.233 123.153 119.950 -0.049 0.000 2.411 549 F HA 0.441 4.966 4.527 -0.003 0.000 0.355 549 F C 1.173 176.987 175.800 0.024 0.000 1.117 549 F CA -0.705 57.282 58.000 -0.023 0.000 1.139 549 F CB 0.829 39.800 39.000 -0.048 0.000 1.120 549 F HN 0.154 nan 8.300 nan 0.000 0.493 550 R N 2.009 122.630 120.500 0.202 0.000 2.740 550 R HA 0.679 5.017 4.340 -0.003 0.000 0.282 550 R C -0.509 175.916 176.300 0.209 0.000 0.969 550 R CA -1.185 55.014 56.100 0.164 0.000 0.918 550 R CB 1.837 32.203 30.300 0.109 0.000 1.175 550 R HN 0.696 nan 8.270 nan 0.000 0.464 551 A N 4.037 126.974 122.820 0.197 0.000 2.425 551 A HA 0.395 4.713 4.320 -0.003 0.000 0.242 551 A C -1.728 176.001 177.584 0.243 0.000 1.077 551 A CA -0.760 51.436 52.037 0.264 0.000 0.781 551 A CB -0.424 18.758 19.000 0.303 0.000 1.020 551 A HN 0.448 nan 8.150 nan 0.000 0.494 552 P HA 0.146 nan 4.420 nan 0.000 0.281 552 P C 0.167 177.642 177.300 0.293 0.000 1.249 552 P CA -0.329 62.960 63.100 0.315 0.000 0.810 552 P CB 0.642 32.356 31.700 0.022 0.000 1.008 553 Y N 2.536 122.984 120.300 0.247 0.000 2.081 553 Y HA -0.174 4.375 4.550 -0.003 0.000 0.280 553 Y C 0.944 176.920 175.900 0.127 0.000 1.163 553 Y CA 2.311 60.518 58.100 0.179 0.000 1.135 553 Y CB -0.512 38.024 38.460 0.126 0.000 0.970 553 Y HN 0.488 nan 8.280 nan 0.000 0.498 554 T N -2.181 112.324 114.554 -0.082 0.000 2.906 554 T HA 0.570 4.919 4.350 -0.003 0.000 0.295 554 T C -2.886 171.771 174.700 -0.073 0.000 1.075 554 T CA -2.263 59.737 62.100 -0.168 0.000 1.005 554 T CB 2.231 70.992 68.868 -0.177 0.000 1.136 554 T HN -0.184 nan 8.240 nan 0.000 0.498 555 P HA 0.476 nan 4.420 nan 0.000 0.272 555 P C -1.091 176.135 177.300 -0.124 0.000 1.223 555 P CA -0.568 62.483 63.100 -0.082 0.000 0.784 555 P CB 0.569 32.240 31.700 -0.048 0.000 0.923 556 V N 0.911 120.724 119.914 -0.168 0.000 2.656 556 V HA 0.333 4.452 4.120 -0.003 0.000 0.307 556 V C 0.187 176.243 176.094 -0.062 0.000 1.051 556 V CA -0.822 61.361 62.300 -0.195 0.000 0.893 556 V CB 1.730 33.261 31.823 -0.487 0.000 0.999 556 V HN 0.679 nan 8.190 nan 0.000 0.426 557 S N 3.456 119.128 115.700 -0.047 0.000 2.560 557 S HA 0.213 4.681 4.470 -0.003 0.000 0.284 557 S C 0.908 175.559 174.600 0.085 0.000 1.327 557 S CA -0.119 58.074 58.200 -0.012 0.000 1.055 557 S CB 0.188 63.329 63.200 -0.097 0.000 0.868 557 S HN 0.427 nan 8.310 nan 0.000 0.506 558 F N 2.143 122.002 119.950 -0.151 0.000 2.091 558 F HA -0.093 4.432 4.527 -0.003 0.000 0.299 558 F C 2.764 178.453 175.800 -0.185 0.000 1.103 558 F CA 1.066 58.989 58.000 -0.128 0.000 1.228 558 F CB -1.618 37.329 39.000 -0.088 0.000 0.984 558 F HN 0.812 nan 8.300 nan 0.000 0.477 559 A N -0.240 122.524 122.820 -0.093 0.000 1.933 559 A HA -0.009 4.310 4.320 -0.003 0.000 0.218 559 A C 2.468 179.666 177.584 -0.644 0.000 1.175 559 A CA 1.760 53.582 52.037 -0.359 0.000 0.628 559 A CB -1.225 17.479 19.000 -0.492 0.000 0.814 559 A HN 0.302 nan 8.150 nan 0.000 0.444 560 A N -0.078 122.286 122.820 -0.760 0.000 1.902 560 A HA -0.053 4.265 4.320 -0.003 0.000 0.217 560 A C 2.137 179.754 177.584 0.055 0.000 1.181 560 A CA 1.517 53.349 52.037 -0.341 0.000 0.623 560 A CB -0.626 18.287 19.000 -0.144 0.000 0.818 560 A HN 0.479 nan 8.150 nan 0.000 0.443 561 L N -0.815 120.421 121.223 0.020 0.000 2.141 561 L HA -0.163 4.175 4.340 -0.003 0.000 0.209 561 L C 3.006 180.007 176.870 0.220 0.000 1.094 561 L CA 0.912 55.840 54.840 0.146 0.000 0.763 561 L CB -0.542 41.531 42.059 0.023 0.000 0.908 561 L HN 0.429 nan 8.230 nan 0.000 0.437 562 A N -0.092 122.764 122.820 0.060 0.000 1.972 562 A HA 0.109 4.428 4.320 -0.003 0.000 0.219 562 A C 1.849 179.380 177.584 -0.088 0.000 1.169 562 A CA 1.235 53.271 52.037 -0.003 0.000 0.635 562 A CB -0.839 18.148 19.000 -0.022 0.000 0.810 562 A HN 0.505 nan 8.150 nan 0.000 0.446 563 G N -0.604 108.182 108.800 -0.024 0.000 2.622 563 G HA2 -0.345 3.614 3.960 -0.003 0.000 0.307 563 G HA3 -0.345 3.614 3.960 -0.003 0.000 0.307 563 G C 0.638 175.431 174.900 -0.177 0.000 1.226 563 G CA 0.492 45.490 45.100 -0.171 0.000 0.997 563 G HN 0.454 nan 8.290 nan 0.000 0.551 564 R N 0.998 121.343 120.500 -0.258 0.000 2.466 564 R HA 0.249 4.587 4.340 -0.003 0.000 0.279 564 R C 0.835 177.051 176.300 -0.141 0.000 0.976 564 R CA 0.599 56.574 56.100 -0.209 0.000 1.081 564 R CB -0.364 29.808 30.300 -0.214 0.000 1.215 564 R HN 0.397 nan 8.270 nan 0.000 0.546 565 T N 2.546 117.017 114.554 -0.139 0.000 3.945 565 T HA 0.275 4.623 4.350 -0.003 0.000 0.306 565 T C 0.165 174.826 174.700 -0.064 0.000 1.475 565 T CA -0.080 61.962 62.100 -0.097 0.000 1.177 565 T CB 0.109 68.917 68.868 -0.100 0.000 1.272 565 T HN -0.194 nan 8.240 nan 0.000 0.930 566 R N 0.487 120.955 120.500 -0.053 0.000 2.740 566 R HA 0.692 5.030 4.340 -0.003 0.000 0.273 566 R C 0.879 177.168 176.300 -0.019 0.000 0.998 566 R CA -0.184 55.900 56.100 -0.028 0.000 0.900 566 R CB 1.419 31.705 30.300 -0.023 0.000 1.223 566 R HN 0.550 nan 8.270 nan 0.000 0.466 567 G N 2.013 110.810 108.800 -0.005 0.000 2.622 567 G HA2 -0.358 3.600 3.960 -0.003 0.000 0.307 567 G HA3 -0.358 3.600 3.960 -0.003 0.000 0.307 567 G C 0.531 175.424 174.900 -0.012 0.000 1.226 567 G CA 0.515 45.614 45.100 -0.002 0.000 0.997 567 G HN 0.543 nan 8.290 nan 0.000 0.551 568 E N 0.635 120.826 120.200 -0.015 0.000 2.358 568 E HA 0.135 4.484 4.350 -0.003 0.000 0.195 568 E C 2.636 179.213 176.600 -0.039 0.000 1.010 568 E CA 0.460 56.844 56.400 -0.027 0.000 0.856 568 E CB -0.068 29.616 29.700 -0.026 0.000 0.795 568 E HN 0.533 nan 8.360 nan 0.000 0.504 569 L N 0.563 121.764 121.223 -0.037 0.000 2.599 569 L HA -0.016 4.323 4.340 -0.003 0.000 0.230 569 L C 2.116 178.954 176.870 -0.053 0.000 1.141 569 L CA -0.127 54.685 54.840 -0.048 0.000 0.877 569 L CB -0.240 41.791 42.059 -0.046 0.000 1.009 569 L HN 0.107 nan 8.230 nan 0.000 0.447 570 L N -0.167 121.029 121.223 -0.045 0.000 2.042 570 L HA -0.054 4.284 4.340 -0.003 0.000 0.210 570 L C 0.266 177.105 176.870 -0.050 0.000 1.076 570 L CA 1.892 56.705 54.840 -0.044 0.000 0.749 570 L CB -0.027 42.014 42.059 -0.031 0.000 0.893 570 L HN 0.176 nan 8.230 nan 0.000 0.432 571 D N -1.440 118.927 120.400 -0.055 0.000 2.927 571 D HA 0.347 4.985 4.640 -0.003 0.000 0.219 571 D C -2.703 173.548 176.300 -0.082 0.000 1.248 571 D CA -1.483 52.478 54.000 -0.066 0.000 0.861 571 D CB 1.633 42.399 40.800 -0.057 0.000 1.677 571 D HN -0.095 nan 8.370 nan 0.000 0.511 572 P HA 0.331 nan 4.420 nan 0.000 0.269 572 P C -1.227 175.986 177.300 -0.145 0.000 1.209 572 P CA -0.483 62.541 63.100 -0.127 0.000 0.776 572 P CB 0.692 32.300 31.700 -0.153 0.000 0.876 573 A N 3.965 126.694 122.820 -0.151 0.000 2.273 573 A HA 0.392 4.710 4.320 -0.003 0.000 0.320 573 A C 0.284 177.736 177.584 -0.219 0.000 1.358 573 A CA -0.781 51.155 52.037 -0.167 0.000 0.910 573 A CB 0.238 19.146 19.000 -0.152 0.000 1.159 573 A HN 0.428 nan 8.150 nan 0.000 0.526 574 R N 1.937 122.268 120.500 -0.282 0.000 2.340 574 R HA 0.541 4.880 4.340 -0.003 0.000 0.300 574 R C -0.990 175.251 176.300 -0.098 0.000 1.069 574 R CA -0.054 55.815 56.100 -0.384 0.000 0.984 574 R CB 0.750 30.434 30.300 -1.027 0.000 1.003 574 R HN 0.641 nan 8.270 nan 0.000 0.459 575 L N 2.159 123.348 121.223 -0.057 0.000 2.346 575 L HA 0.403 4.742 4.340 -0.003 0.000 0.276 575 L C 0.802 177.829 176.870 0.261 0.000 1.006 575 L CA -1.000 53.834 54.840 -0.009 0.000 0.817 575 L CB 1.939 43.829 42.059 -0.282 0.000 1.272 575 L HN 0.722 nan 8.230 nan 0.000 0.421 576 T N -0.881 113.872 114.554 0.332 0.000 2.788 576 T HA 0.322 4.671 4.350 -0.003 0.000 0.287 576 T C 1.316 176.123 174.700 0.178 0.000 1.007 576 T CA 0.033 62.286 62.100 0.256 0.000 1.005 576 T CB 1.439 70.387 68.868 0.134 0.000 1.012 576 T HN 0.656 nan 8.240 nan 0.000 0.530 577 A N 1.595 124.489 122.820 0.124 0.000 2.024 577 A HA -0.037 4.281 4.320 -0.003 0.000 0.220 577 A C 2.148 179.750 177.584 0.030 0.000 1.164 577 A CA 1.603 53.697 52.037 0.095 0.000 0.643 577 A CB -0.787 18.276 19.000 0.105 0.000 0.806 577 A HN 0.856 nan 8.150 nan 0.000 0.451 578 M N -1.677 117.875 119.600 -0.079 0.000 2.431 578 M HA 0.207 4.685 4.480 -0.003 0.000 0.237 578 M C 1.113 177.145 176.300 -0.446 0.000 1.130 578 M CA 0.501 55.581 55.300 -0.367 0.000 1.002 578 M CB -1.900 30.197 32.600 -0.839 0.000 1.524 578 M HN 0.498 nan 8.290 nan 0.000 0.482 579 H N 2.830 121.834 119.070 -0.110 0.000 2.319 579 H HA -0.081 4.473 4.556 -0.003 0.000 0.297 579 H C -0.925 174.452 175.328 0.081 0.000 1.097 579 H CA 2.938 59.039 56.048 0.089 0.000 1.285 579 H CB -1.093 28.728 29.762 0.099 0.000 1.368 579 H HN 0.179 nan 8.280 nan 0.000 0.495 580 P HA -0.193 nan 4.420 nan 0.000 0.216 580 P C 1.034 178.386 177.300 0.086 0.000 1.153 580 P CA 1.745 64.892 63.100 0.079 0.000 0.858 580 P CB -0.327 31.437 31.700 0.107 0.000 0.789 581 W N -0.131 121.085 121.300 -0.141 0.000 2.381 581 W HA -0.184 4.474 4.660 -0.003 0.000 0.301 581 W C 2.370 178.900 176.519 0.019 0.000 1.205 581 W CA 1.724 59.028 57.345 -0.067 0.000 1.285 581 W CB -0.924 28.385 29.460 -0.251 0.000 1.133 581 W HN 0.125 nan 8.180 nan 0.000 0.521 582 H N -0.453 118.830 119.070 0.355 0.000 2.352 582 H HA -0.226 4.329 4.556 -0.003 0.000 0.299 582 H C 2.241 177.629 175.328 0.100 0.000 1.097 582 H CA 1.913 58.123 56.048 0.269 0.000 1.311 582 H CB -0.530 29.325 29.762 0.155 0.000 1.377 582 H HN 0.179 nan 8.280 nan 0.000 0.504 583 L N 0.067 121.396 121.223 0.176 0.000 2.027 583 L HA -0.118 4.220 4.340 -0.003 0.000 0.206 583 L C 2.718 179.600 176.870 0.019 0.000 1.074 583 L CA 0.796 55.709 54.840 0.122 0.000 0.745 583 L CB -0.362 41.724 42.059 0.046 0.000 0.898 583 L HN 0.337 nan 8.230 nan 0.000 0.433 584 A N -1.810 120.986 122.820 -0.040 0.000 2.168 584 A HA -0.147 4.171 4.320 -0.003 0.000 0.215 584 A C 1.628 178.967 177.584 -0.408 0.000 1.152 584 A CA 0.955 52.878 52.037 -0.189 0.000 0.716 584 A CB -0.564 18.316 19.000 -0.201 0.000 0.794 584 A HN 0.479 nan 8.150 nan 0.000 0.465 585 H N -1.410 117.462 119.070 -0.329 0.000 2.505 585 H HA 0.274 4.829 4.556 -0.003 0.000 0.286 585 H C 1.376 176.655 175.328 -0.082 0.000 1.072 585 H CA 0.354 56.196 56.048 -0.343 0.000 1.141 585 H CB 0.223 29.479 29.762 -0.843 0.000 1.550 585 H HN 0.592 nan 8.280 nan 0.000 0.547 586 G N 1.451 110.232 108.800 -0.032 0.000 2.160 586 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.251 586 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.251 586 G C 0.554 175.355 174.900 -0.164 0.000 1.008 586 G CA 0.203 45.270 45.100 -0.054 0.000 0.724 586 G HN 0.625 nan 8.290 nan 0.000 0.514 587 A N -0.077 122.551 122.820 -0.320 0.000 2.540 587 A HA 0.503 4.821 4.320 -0.003 0.000 0.239 587 A C 0.764 177.819 177.584 -0.883 0.000 1.061 587 A CA 0.436 51.949 52.037 -0.873 0.000 0.758 587 A CB 0.399 18.602 19.000 -1.329 0.000 0.991 587 A HN 0.272 nan 8.150 nan 0.000 0.502 588 K N 1.837 121.688 120.400 -0.915 0.000 2.201 588 K HA 0.469 4.788 4.320 -0.003 0.000 0.278 588 K C -1.009 175.230 176.600 -0.601 0.000 1.027 588 K CA 0.127 56.004 56.287 -0.683 0.000 0.909 588 K CB 0.694 32.664 32.500 -0.883 0.000 1.062 588 K HN 0.508 nan 8.250 nan 0.000 0.465 589 F N 0.905 120.834 119.950 -0.034 0.000 2.440 589 F HA 0.268 4.794 4.527 -0.003 0.000 0.328 589 F C 0.918 176.748 175.800 0.051 0.000 1.070 589 F CA -0.737 57.271 58.000 0.014 0.000 1.011 589 F CB 1.313 40.331 39.000 0.030 0.000 1.226 589 F HN 0.473 nan 8.300 nan 0.000 0.491 590 E N -0.559 119.739 120.200 0.163 0.000 2.312 590 E HA 0.379 4.728 4.350 -0.003 0.000 0.267 590 E C -1.880 174.721 176.600 0.002 0.000 0.894 590 E CA -1.077 55.266 56.400 -0.095 0.000 0.773 590 E CB 1.568 30.952 29.700 -0.528 0.000 1.241 590 E HN 0.306 nan 8.360 nan 0.000 0.432 591 D N 1.867 122.243 120.400 -0.039 0.000 2.336 591 D HA 0.174 4.812 4.640 -0.003 0.000 0.249 591 D C -0.689 175.625 176.300 0.023 0.000 1.213 591 D CA -0.113 53.894 54.000 0.011 0.000 0.870 591 D CB 1.523 42.319 40.800 -0.007 0.000 1.076 591 D HN 0.178 nan 8.370 nan 0.000 0.483 592 V N 2.934 122.907 119.914 0.099 0.000 2.284 592 V HA 0.453 4.571 4.120 -0.003 0.000 0.274 592 V C 1.195 177.403 176.094 0.191 0.000 1.023 592 V CA -0.229 62.148 62.300 0.128 0.000 0.808 592 V CB 0.717 32.616 31.823 0.128 0.000 1.035 592 V HN 0.860 nan 8.190 nan 0.000 0.445 593 G N 4.972 113.844 108.800 0.120 0.000 2.660 593 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.321 593 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.321 593 G C 0.625 175.552 174.900 0.044 0.000 1.246 593 G CA 0.992 46.145 45.100 0.088 0.000 1.000 593 G HN 0.610 nan 8.290 nan 0.000 0.550 594 Q N -0.267 119.521 119.800 -0.021 0.000 2.360 594 Q HA 0.237 4.576 4.340 -0.003 0.000 0.202 594 Q C 0.138 176.069 176.000 -0.116 0.000 0.915 594 Q CA -0.174 55.561 55.803 -0.113 0.000 0.943 594 Q CB 0.407 29.015 28.738 -0.216 0.000 1.064 594 Q HN 0.490 nan 8.270 nan 0.000 0.511 595 W N 1.688 122.969 121.300 -0.032 0.000 2.376 595 W HA 0.246 4.904 4.660 -0.002 0.000 0.322 595 W C 0.217 176.715 176.519 -0.034 0.000 1.160 595 W CA -0.821 56.503 57.345 -0.035 0.000 1.218 595 W CB 0.849 30.306 29.460 -0.005 0.000 1.205 595 W HN -0.338 nan 8.180 nan 0.000 0.559 596 K N 4.391 124.929 120.400 0.230 0.000 2.285 596 K HA 0.374 4.692 4.320 -0.003 0.000 0.286 596 K C -0.112 176.658 176.600 0.283 0.000 1.072 596 K CA -0.407 55.969 56.287 0.147 0.000 0.913 596 K CB 0.982 33.416 32.500 -0.109 0.000 1.067 596 K HN 0.486 nan 8.250 nan 0.000 0.479 597 R N 2.836 123.510 120.500 0.290 0.000 2.740 597 R HA 0.384 4.723 4.340 -0.003 0.000 0.282 597 R C -2.541 173.887 176.300 0.214 0.000 0.969 597 R CA -2.140 54.078 56.100 0.198 0.000 0.918 597 R CB 1.787 32.122 30.300 0.057 0.000 1.175 597 R HN 0.268 nan 8.270 nan 0.000 0.464 598 P HA -0.038 nan 4.420 nan 0.000 0.271 598 P C -0.444 176.773 177.300 -0.138 0.000 1.220 598 P CA -0.118 62.710 63.100 -0.454 0.000 0.768 598 P CB 0.499 31.716 31.700 -0.804 0.000 0.848 599 W N 5.964 127.046 121.300 -0.363 0.000 2.574 599 W HA 0.123 4.781 4.660 -0.003 0.000 0.282 599 W C -0.317 176.227 176.519 0.041 0.000 1.197 599 W CA 1.011 58.289 57.345 -0.112 0.000 1.376 599 W CB -0.086 29.344 29.460 -0.049 0.000 1.091 599 W HN 0.446 nan 8.180 nan 0.000 0.569 600 Y N -3.583 116.623 120.300 -0.158 0.000 2.702 600 Y HA 0.410 4.958 4.550 -0.003 0.000 0.336 600 Y C -2.197 173.566 175.900 -0.227 0.000 1.203 600 Y CA -2.342 55.681 58.100 -0.128 0.000 1.072 600 Y CB -0.091 38.241 38.460 -0.213 0.000 1.327 600 Y HN -0.152 nan 8.280 nan 0.000 0.456 601 Y N 2.861 123.212 120.300 0.085 0.000 2.805 601 Y HA 0.501 5.049 4.550 -0.003 0.000 0.339 601 Y C -2.617 173.358 175.900 0.125 0.000 1.012 601 Y CA -2.659 55.462 58.100 0.035 0.000 1.262 601 Y CB 1.012 39.549 38.460 0.129 0.000 1.100 601 Y HN 0.322 nan 8.280 nan 0.000 0.559 602 P HA 0.161 nan 4.420 nan 0.000 0.275 602 P C -0.922 176.467 177.300 0.149 0.000 1.228 602 P CA -0.250 62.983 63.100 0.221 0.000 0.786 602 P CB 1.519 33.352 31.700 0.221 0.000 0.927 603 Q N 0.193 120.069 119.800 0.127 0.000 2.413 603 Q HA 0.300 4.638 4.340 -0.003 0.000 0.276 603 Q C -0.620 175.421 176.000 0.069 0.000 1.099 603 Q CA -0.780 55.081 55.803 0.096 0.000 0.814 603 Q CB 1.299 30.098 28.738 0.103 0.000 1.379 603 Q HN 0.357 nan 8.270 nan 0.000 0.436 604 D N 0.628 121.059 120.400 0.051 0.000 2.708 604 D HA -0.187 4.451 4.640 -0.003 0.000 0.236 604 D C 0.608 176.928 176.300 0.034 0.000 1.146 604 D CA 1.616 55.639 54.000 0.038 0.000 0.662 604 D CB -1.459 39.363 40.800 0.037 0.000 1.059 604 D HN 1.080 nan 8.370 nan 0.000 0.428 605 G N -0.144 108.677 108.800 0.036 0.000 2.203 605 G HA2 -0.393 3.565 3.960 -0.003 0.000 0.263 605 G HA3 -0.393 3.565 3.960 -0.003 0.000 0.263 605 G C 0.166 175.085 174.900 0.032 0.000 1.012 605 G CA 0.641 45.760 45.100 0.032 0.000 0.749 605 G HN 0.567 nan 8.290 nan 0.000 0.512 606 E N 0.973 121.199 120.200 0.042 0.000 2.442 606 E HA 0.349 4.698 4.350 -0.003 0.000 0.262 606 E C 1.346 177.961 176.600 0.024 0.000 1.004 606 E CA 0.514 56.934 56.400 0.033 0.000 0.928 606 E CB 0.444 30.176 29.700 0.054 0.000 0.937 606 E HN 0.615 nan 8.360 nan 0.000 0.446 607 S N 3.031 118.721 115.700 -0.016 0.000 2.600 607 S HA -0.017 4.451 4.470 -0.003 0.000 0.265 607 S C 1.189 175.699 174.600 -0.151 0.000 1.325 607 S CA -0.563 57.604 58.200 -0.055 0.000 1.002 607 S CB 0.965 64.124 63.200 -0.069 0.000 0.921 607 S HN 0.776 nan 8.310 nan 0.000 0.554 608 M N 0.560 119.970 119.600 -0.316 0.000 2.082 608 M HA -0.210 4.269 4.480 -0.003 0.000 0.258 608 M C 1.039 177.014 176.300 -0.541 0.000 1.069 608 M CA 2.327 57.124 55.300 -0.837 0.000 1.102 608 M CB -0.704 31.267 32.600 -1.048 0.000 1.336 608 M HN 0.762 nan 8.290 nan 0.000 0.404 609 D N 0.394 120.617 120.400 -0.295 0.000 2.123 609 D HA -0.174 4.464 4.640 -0.003 0.000 0.196 609 D C 1.868 178.121 176.300 -0.078 0.000 0.992 609 D CA 1.744 55.651 54.000 -0.156 0.000 0.833 609 D CB -0.327 40.413 40.800 -0.099 0.000 0.954 609 D HN 0.594 nan 8.370 nan 0.000 0.455 610 E N 0.443 120.594 120.200 -0.082 0.000 2.072 610 E HA -0.058 4.290 4.350 -0.003 0.000 0.191 610 E C 2.130 178.747 176.600 0.027 0.000 0.985 610 E CA 0.923 57.308 56.400 -0.025 0.000 0.801 610 E CB -0.044 29.637 29.700 -0.033 0.000 0.750 610 E HN 0.187 nan 8.360 nan 0.000 0.452 611 A N 0.839 123.651 122.820 -0.014 0.000 1.877 611 A HA -0.162 4.157 4.320 -0.003 0.000 0.216 611 A C 2.478 180.092 177.584 0.049 0.000 1.186 611 A CA 1.326 53.393 52.037 0.050 0.000 0.620 611 A CB -0.675 18.393 19.000 0.113 0.000 0.822 611 A HN 0.131 nan 8.150 nan 0.000 0.443 612 V N -1.748 118.139 119.914 -0.044 0.000 2.453 612 V HA -0.228 3.890 4.120 -0.003 0.000 0.247 612 V C 2.282 178.392 176.094 0.027 0.000 1.048 612 V CA 1.852 64.139 62.300 -0.022 0.000 1.049 612 V CB -0.971 30.785 31.823 -0.113 0.000 0.672 612 V HN 0.686 nan 8.190 nan 0.000 0.457 613 Y N 1.266 121.532 120.300 -0.056 0.000 2.097 613 Y HA -0.296 4.252 4.550 -0.003 0.000 0.282 613 Y C 2.864 178.741 175.900 -0.038 0.000 1.152 613 Y CA 2.422 60.497 58.100 -0.042 0.000 1.136 613 Y CB -0.189 38.249 38.460 -0.036 0.000 0.975 613 Y HN 0.064 nan 8.280 nan 0.000 0.498 614 R N 0.467 121.083 120.500 0.194 0.000 2.096 614 R HA -0.239 4.099 4.340 -0.003 0.000 0.240 614 R C 2.055 178.363 176.300 0.013 0.000 1.139 614 R CA 2.320 58.484 56.100 0.107 0.000 0.952 614 R CB -0.350 30.019 30.300 0.114 0.000 0.854 614 R HN 0.501 nan 8.270 nan 0.000 0.436 615 E N -0.343 119.868 120.200 0.018 0.000 2.047 615 E HA -0.190 4.158 4.350 -0.003 0.000 0.191 615 E C 2.214 178.722 176.600 -0.153 0.000 0.987 615 E CA 1.603 57.996 56.400 -0.010 0.000 0.799 615 E CB -0.073 29.676 29.700 0.082 0.000 0.752 615 E HN 0.488 nan 8.360 nan 0.000 0.449 616 C N 1.035 120.215 119.300 -0.199 0.000 2.429 616 C HA -0.102 4.357 4.460 -0.003 0.000 0.277 616 C C 2.528 177.334 174.990 -0.307 0.000 1.262 616 C CA 0.473 59.313 59.018 -0.296 0.000 1.733 616 C CB -0.698 26.856 27.740 -0.310 0.000 2.010 616 C HN 0.386 nan 8.230 nan 0.000 0.483 617 K N 1.436 121.660 120.400 -0.293 0.000 2.002 617 K HA -0.131 4.188 4.320 -0.003 0.000 0.209 617 K C 2.255 178.760 176.600 -0.158 0.000 1.048 617 K CA 1.616 57.754 56.287 -0.248 0.000 0.930 617 K CB -0.374 32.001 32.500 -0.209 0.000 0.714 617 K HN 0.396 nan 8.250 nan 0.000 0.438 618 A N 0.890 123.642 122.820 -0.112 0.000 1.883 618 A HA -0.175 4.144 4.320 -0.003 0.000 0.217 618 A C 2.278 179.807 177.584 -0.091 0.000 1.186 618 A CA 2.099 54.096 52.037 -0.067 0.000 0.624 618 A CB -1.102 17.885 19.000 -0.021 0.000 0.822 618 A HN 0.363 nan 8.150 nan 0.000 0.444 619 V N -0.700 119.117 119.914 -0.163 0.000 2.358 619 V HA -0.219 3.899 4.120 -0.003 0.000 0.246 619 V C 2.207 178.221 176.094 -0.133 0.000 1.047 619 V CA 2.296 64.494 62.300 -0.170 0.000 1.035 619 V CB -0.792 30.836 31.823 -0.326 0.000 0.658 619 V HN 0.571 nan 8.190 nan 0.000 0.452 620 R N -0.105 120.298 120.500 -0.163 0.000 2.115 620 R HA -0.074 4.264 4.340 -0.003 0.000 0.226 620 R C 2.098 178.353 176.300 -0.076 0.000 1.100 620 R CA 1.597 57.623 56.100 -0.123 0.000 0.980 620 R CB -0.491 29.696 30.300 -0.188 0.000 0.875 620 R HN 0.540 nan 8.270 nan 0.000 0.445 621 D N -0.371 119.983 120.400 -0.077 0.000 2.117 621 D HA -0.073 4.566 4.640 -0.003 0.000 0.198 621 D C 1.493 177.776 176.300 -0.028 0.000 0.982 621 D CA 1.280 55.253 54.000 -0.044 0.000 0.828 621 D CB 0.220 40.998 40.800 -0.036 0.000 0.967 621 D HN 0.051 nan 8.370 nan 0.000 0.464 622 S N -1.982 113.700 115.700 -0.031 0.000 4.848 622 S HA 0.351 4.820 4.470 -0.003 0.000 0.151 622 S C -0.928 173.647 174.600 -0.040 0.000 1.055 622 S CA -0.170 58.018 58.200 -0.019 0.000 1.208 622 S CB 0.380 63.602 63.200 0.036 0.000 2.035 622 S HN -0.064 nan 8.310 nan 0.000 0.792 623 V N 0.875 120.783 119.914 -0.010 0.000 3.048 623 V HA 0.780 4.898 4.120 -0.003 0.000 0.303 623 V C -0.610 175.503 176.094 0.032 0.000 1.214 623 V CA 0.400 62.698 62.300 -0.004 0.000 0.984 623 V CB 1.388 33.196 31.823 -0.026 0.000 1.054 623 V HN 0.899 nan 8.190 nan 0.000 0.430 624 G N 5.152 113.998 108.800 0.076 0.000 2.605 624 G HA2 0.793 4.751 3.960 -0.003 0.000 0.296 624 G HA3 0.793 4.751 3.960 -0.003 0.000 0.296 624 G C -1.062 173.976 174.900 0.231 0.000 1.304 624 G CA -0.820 44.399 45.100 0.199 0.000 0.941 624 G HN 1.136 nan 8.290 nan 0.000 0.475 625 M N 0.085 119.774 119.600 0.149 0.000 2.464 625 M HA 0.853 5.332 4.480 -0.003 0.000 0.308 625 M C -1.853 174.329 176.300 -0.198 0.000 1.127 625 M CA -1.105 54.127 55.300 -0.113 0.000 0.913 625 M CB 2.543 34.839 32.600 -0.508 0.000 1.689 625 M HN 0.458 nan 8.290 nan 0.000 0.445 626 L N 1.902 123.037 121.223 -0.146 0.000 2.410 626 L HA 0.542 4.881 4.340 -0.003 0.000 0.270 626 L C -1.341 175.686 176.870 0.262 0.000 0.983 626 L CA 0.023 54.773 54.840 -0.150 0.000 0.822 626 L CB 2.049 43.749 42.059 -0.599 0.000 1.285 626 L HN 0.806 nan 8.230 nan 0.000 0.409 627 D N 4.132 124.687 120.400 0.258 0.000 2.383 627 D HA 0.347 4.985 4.640 -0.003 0.000 0.245 627 D C 0.276 176.573 176.300 -0.005 0.000 1.263 627 D CA 0.402 54.458 54.000 0.093 0.000 0.936 627 D CB 1.293 42.023 40.800 -0.115 0.000 1.053 627 D HN 0.689 nan 8.370 nan 0.000 0.507 628 A N 2.865 125.693 122.820 0.015 0.000 2.507 628 A HA 0.130 4.448 4.320 -0.003 0.000 0.270 628 A C 1.772 179.303 177.584 -0.087 0.000 1.318 628 A CA -0.324 51.685 52.037 -0.046 0.000 0.924 628 A CB 0.059 19.048 19.000 -0.018 0.000 1.061 628 A HN 0.421 nan 8.150 nan 0.000 0.516 629 S N 0.015 115.650 115.700 -0.109 0.000 2.507 629 S HA -0.121 4.347 4.470 -0.003 0.000 0.235 629 S C 2.012 176.435 174.600 -0.295 0.000 0.988 629 S CA 1.719 59.841 58.200 -0.129 0.000 0.944 629 S CB -0.338 62.812 63.200 -0.084 0.000 0.762 629 S HN 0.886 nan 8.310 nan 0.000 0.526 630 T N 0.007 114.251 114.554 -0.517 0.000 3.100 630 T HA 0.256 4.604 4.350 -0.003 0.000 0.253 630 T C 0.554 175.024 174.700 -0.383 0.000 1.118 630 T CA -0.136 61.410 62.100 -0.923 0.000 1.058 630 T CB -0.532 67.472 68.868 -1.440 0.000 0.953 630 T HN 0.183 nan 8.240 nan 0.000 0.515 631 L N 2.082 123.193 121.223 -0.187 0.000 2.514 631 L HA 0.383 4.722 4.340 -0.003 0.000 0.280 631 L C 1.332 178.212 176.870 0.017 0.000 1.223 631 L CA -0.398 54.411 54.840 -0.052 0.000 0.864 631 L CB 0.004 42.065 42.059 0.004 0.000 1.118 631 L HN 0.316 nan 8.230 nan 0.000 0.494 632 G N 2.625 111.449 108.800 0.039 0.000 2.442 632 G HA2 0.363 4.322 3.960 -0.003 0.000 0.249 632 G HA3 0.363 4.322 3.960 -0.003 0.000 0.249 632 G C -0.569 174.334 174.900 0.006 0.000 1.263 632 G CA -0.449 44.680 45.100 0.048 0.000 0.846 632 G HN 0.638 nan 8.290 nan 0.000 0.555 633 K N 1.298 121.684 120.400 -0.023 0.000 2.507 633 K HA 0.480 4.798 4.320 -0.003 0.000 0.251 633 K C -1.061 175.490 176.600 -0.082 0.000 0.943 633 K CA -0.488 55.726 56.287 -0.120 0.000 0.794 633 K CB 2.577 35.005 32.500 -0.120 0.000 1.188 633 K HN 0.370 nan 8.250 nan 0.000 0.428 634 I N 2.000 122.510 120.570 -0.100 0.000 2.478 634 I HA 0.214 4.383 4.170 -0.003 0.000 0.287 634 I C -0.312 175.788 176.117 -0.028 0.000 1.042 634 I CA -0.796 60.483 61.300 -0.034 0.000 1.067 634 I CB 1.995 39.999 38.000 0.007 0.000 1.233 634 I HN 0.423 nan 8.210 nan 0.000 0.431 635 E N 6.756 126.952 120.200 -0.008 0.000 2.227 635 E HA 0.525 4.874 4.350 -0.003 0.000 0.282 635 E C -0.823 175.811 176.600 0.058 0.000 1.015 635 E CA -0.389 56.021 56.400 0.015 0.000 0.823 635 E CB 2.440 32.141 29.700 0.002 0.000 1.081 635 E HN 0.459 nan 8.360 nan 0.000 0.396 636 I N 3.354 123.990 120.570 0.110 0.000 2.439 636 I HA 0.345 4.514 4.170 -0.003 0.000 0.285 636 I C -0.061 176.165 176.117 0.181 0.000 1.021 636 I CA -0.477 60.913 61.300 0.151 0.000 1.091 636 I CB 1.677 39.791 38.000 0.190 0.000 1.242 636 I HN 0.147 nan 8.210 nan 0.000 0.439 637 R N 4.594 125.168 120.500 0.122 0.000 2.575 637 R HA 0.843 5.182 4.340 -0.003 0.000 0.293 637 R C -0.782 175.569 176.300 0.086 0.000 0.983 637 R CA -0.493 55.670 56.100 0.105 0.000 0.887 637 R CB 2.211 32.546 30.300 0.059 0.000 1.184 637 R HN 0.864 nan 8.270 nan 0.000 0.445 638 G N 1.955 110.815 108.800 0.099 0.000 2.347 638 G HA2 -0.004 3.955 3.960 -0.003 0.000 0.303 638 G HA3 -0.004 3.955 3.960 -0.003 0.000 0.303 638 G C -0.589 174.363 174.900 0.086 0.000 1.481 638 G CA -0.799 44.342 45.100 0.068 0.000 0.914 638 G HN 0.548 nan 8.290 nan 0.000 0.638 639 K N -0.645 119.789 120.400 0.057 0.000 2.209 639 K HA -0.014 4.304 4.320 -0.003 0.000 0.204 639 K C 1.029 177.673 176.600 0.072 0.000 1.048 639 K CA 1.567 57.889 56.287 0.060 0.000 0.940 639 K CB 0.137 32.658 32.500 0.036 0.000 0.729 639 K HN 0.419 nan 8.250 nan 0.000 0.451 640 D N -0.212 120.223 120.400 0.058 0.000 2.342 640 D HA 0.084 4.722 4.640 -0.003 0.000 0.221 640 D C 1.258 177.619 176.300 0.103 0.000 1.101 640 D CA 0.160 54.192 54.000 0.054 0.000 0.837 640 D CB 0.547 41.350 40.800 0.004 0.000 0.938 640 D HN 0.135 nan 8.370 nan 0.000 0.508 641 A N 1.336 124.250 122.820 0.157 0.000 1.883 641 A HA -0.137 4.181 4.320 -0.003 0.000 0.217 641 A C 2.325 179.968 177.584 0.098 0.000 1.186 641 A CA 2.007 54.169 52.037 0.208 0.000 0.624 641 A CB -0.394 18.818 19.000 0.353 0.000 0.822 641 A HN 0.271 nan 8.150 nan 0.000 0.444 642 A N -0.532 122.392 122.820 0.173 0.000 1.929 642 A HA -0.049 4.269 4.320 -0.003 0.000 0.216 642 A C 1.970 179.563 177.584 0.014 0.000 1.176 642 A CA 2.004 54.072 52.037 0.052 0.000 0.628 642 A CB -0.414 18.780 19.000 0.323 0.000 0.816 642 A HN 0.551 nan 8.150 nan 0.000 0.444 643 E N -0.372 119.859 120.200 0.052 0.000 2.051 643 E HA -0.195 4.153 4.350 -0.003 0.000 0.192 643 E C 1.652 178.240 176.600 -0.020 0.000 0.991 643 E CA 1.499 57.904 56.400 0.008 0.000 0.799 643 E CB -0.628 29.070 29.700 -0.004 0.000 0.748 643 E HN 0.447 nan 8.360 nan 0.000 0.449 644 F N 0.508 120.361 119.950 -0.162 0.000 2.091 644 F HA -0.190 4.335 4.527 -0.003 0.000 0.299 644 F C 1.863 177.550 175.800 -0.188 0.000 1.103 644 F CA 1.308 59.197 58.000 -0.186 0.000 1.228 644 F CB -0.695 38.241 39.000 -0.107 0.000 0.984 644 F HN 0.152 nan 8.300 nan 0.000 0.477 645 L N 0.635 121.683 121.223 -0.291 0.000 2.079 645 L HA -0.247 4.092 4.340 -0.003 0.000 0.210 645 L C 2.102 178.832 176.870 -0.233 0.000 1.081 645 L CA 1.603 56.189 54.840 -0.424 0.000 0.752 645 L CB -1.468 40.255 42.059 -0.561 0.000 0.896 645 L HN 0.131 nan 8.230 nan 0.000 0.433 646 N N -0.631 118.005 118.700 -0.106 0.000 2.309 646 N HA -0.110 4.629 4.740 -0.003 0.000 0.182 646 N C 1.871 177.358 175.510 -0.039 0.000 1.018 646 N CA 0.853 53.902 53.050 -0.003 0.000 0.876 646 N CB -0.056 38.444 38.487 0.022 0.000 0.972 646 N HN 0.324 nan 8.380 nan 0.000 0.434 647 R N -0.716 119.680 120.500 -0.173 0.000 2.119 647 R HA 0.167 4.506 4.340 -0.003 0.000 0.222 647 R C 1.496 177.670 176.300 -0.210 0.000 1.088 647 R CA 0.731 56.719 56.100 -0.187 0.000 0.984 647 R CB 0.051 30.120 30.300 -0.384 0.000 0.884 647 R HN 0.195 nan 8.270 nan 0.000 0.447 648 M N -0.740 118.612 119.600 -0.413 0.000 2.447 648 M HA 0.085 4.564 4.480 -0.003 0.000 0.266 648 M C 0.183 176.272 176.300 -0.352 0.000 1.120 648 M CA 0.884 55.895 55.300 -0.482 0.000 1.166 648 M CB -0.112 31.998 32.600 -0.817 0.000 1.349 648 M HN -0.097 nan 8.290 nan 0.000 0.463 649 Y N 0.901 121.013 120.300 -0.313 0.000 2.335 649 Y HA 0.114 4.662 4.550 -0.003 0.000 0.323 649 Y C 2.030 177.626 175.900 -0.505 0.000 1.224 649 Y CA -0.119 57.791 58.100 -0.317 0.000 1.241 649 Y CB 0.749 39.039 38.460 -0.283 0.000 1.235 649 Y HN 0.257 nan 8.280 nan 0.000 0.492 650 T N -1.852 112.403 114.554 -0.498 0.000 2.833 650 T HA -0.113 4.236 4.350 -0.003 0.000 0.269 650 T C 0.487 174.747 174.700 -0.733 0.000 1.054 650 T CA 1.097 62.419 62.100 -1.297 0.000 1.135 650 T CB -0.455 67.992 68.868 -0.703 0.000 0.869 650 T HN 0.640 nan 8.240 nan 0.000 0.466 651 N N 1.370 119.925 118.700 -0.242 0.000 2.502 651 N HA 0.491 5.229 4.740 -0.003 0.000 0.280 651 N C 0.047 175.575 175.510 0.030 0.000 1.223 651 N CA -0.623 52.377 53.050 -0.082 0.000 0.966 651 N CB 0.690 39.131 38.487 -0.078 0.000 1.203 651 N HN 0.287 nan 8.380 nan 0.000 0.565 652 G N -1.440 107.338 108.800 -0.037 0.000 2.395 652 G HA2 0.399 4.357 3.960 -0.003 0.000 0.283 652 G HA3 0.399 4.357 3.960 -0.003 0.000 0.283 652 G C -0.889 173.899 174.900 -0.188 0.000 1.178 652 G CA -0.360 44.735 45.100 -0.007 0.000 0.837 652 G HN 0.626 nan 8.290 nan 0.000 0.518 653 Y N -0.138 120.137 120.300 -0.041 0.000 2.448 653 Y HA 0.061 4.609 4.550 -0.002 0.000 0.257 653 Y C 2.822 178.765 175.900 0.071 0.000 1.089 653 Y CA 0.520 58.603 58.100 -0.027 0.000 1.245 653 Y CB 0.787 39.151 38.460 -0.159 0.000 1.282 653 Y HN 0.666 nan 8.280 nan 0.000 0.529 654 T N -1.858 112.789 114.554 0.155 0.000 2.867 654 T HA -0.107 4.242 4.350 -0.003 0.000 0.268 654 T C 1.419 176.192 174.700 0.122 0.000 1.057 654 T CA 1.091 63.281 62.100 0.150 0.000 1.136 654 T CB -0.016 68.912 68.868 0.100 0.000 0.874 654 T HN 0.020 nan 8.240 nan 0.000 0.466 655 K N 0.705 121.148 120.400 0.071 0.000 2.374 655 K HA 0.342 4.660 4.320 -0.003 0.000 0.196 655 K C 0.507 177.129 176.600 0.038 0.000 1.023 655 K CA -0.372 55.942 56.287 0.045 0.000 1.103 655 K CB -0.258 32.253 32.500 0.019 0.000 0.848 655 K HN 0.349 nan 8.250 nan 0.000 0.528 656 L N 2.556 123.813 121.223 0.057 0.000 2.540 656 L HA -0.029 4.310 4.340 -0.003 0.000 0.276 656 L C -0.043 176.872 176.870 0.075 0.000 1.212 656 L CA 0.598 55.474 54.840 0.061 0.000 0.893 656 L CB 0.179 42.312 42.059 0.124 0.000 1.138 656 L HN -0.053 nan 8.230 nan 0.000 0.491 657 K N 3.724 124.144 120.400 0.033 0.000 2.218 657 K HA 0.293 4.611 4.320 -0.003 0.000 0.276 657 K C -0.641 175.958 176.600 -0.002 0.000 1.022 657 K CA -0.803 55.486 56.287 0.004 0.000 0.946 657 K CB 1.085 33.571 32.500 -0.023 0.000 1.000 657 K HN 0.484 nan 8.250 nan 0.000 0.468 658 V N 2.523 122.418 119.914 -0.031 0.000 2.644 658 V HA 0.002 4.120 4.120 -0.003 0.000 0.305 658 V C 1.375 177.390 176.094 -0.131 0.000 1.053 658 V CA 1.722 63.993 62.300 -0.048 0.000 1.186 658 V CB 0.328 32.113 31.823 -0.064 0.000 0.895 658 V HN 1.170 nan 8.190 nan 0.000 0.490 659 G N 4.124 112.794 108.800 -0.218 0.000 2.176 659 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.232 659 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.232 659 G C -0.141 174.439 174.900 -0.533 0.000 0.986 659 G CA -0.003 44.599 45.100 -0.829 0.000 0.643 659 G HN 0.453 nan 8.290 nan 0.000 0.522 660 M N 0.291 119.879 119.600 -0.020 0.000 2.602 660 M HA 0.693 5.171 4.480 -0.003 0.000 0.312 660 M C 0.582 177.048 176.300 0.277 0.000 1.181 660 M CA -0.282 55.078 55.300 0.100 0.000 0.910 660 M CB 1.532 34.142 32.600 0.017 0.000 1.723 660 M HN 0.381 nan 8.290 nan 0.000 0.459 661 G N 0.784 109.699 108.800 0.191 0.000 2.568 661 G HA2 0.842 4.801 3.960 -0.003 0.000 0.313 661 G HA3 0.842 4.801 3.960 -0.003 0.000 0.313 661 G C -1.386 173.548 174.900 0.058 0.000 1.227 661 G CA -0.615 44.580 45.100 0.157 0.000 0.979 661 G HN 0.682 nan 8.290 nan 0.000 0.486 662 R N -0.392 120.156 120.500 0.080 0.000 2.515 662 R HA 0.306 4.644 4.340 -0.003 0.000 0.278 662 R C -1.912 174.434 176.300 0.077 0.000 1.107 662 R CA -0.820 55.283 56.100 0.006 0.000 0.945 662 R CB 1.561 31.733 30.300 -0.215 0.000 1.219 662 R HN 0.634 nan 8.270 nan 0.000 0.434 663 Y N 2.972 123.257 120.300 -0.026 0.000 2.359 663 Y HA 0.557 5.105 4.550 -0.003 0.000 0.330 663 Y C -0.181 175.714 175.900 -0.007 0.000 1.143 663 Y CA 0.957 59.058 58.100 0.001 0.000 1.318 663 Y CB 1.255 39.736 38.460 0.035 0.000 1.234 663 Y HN 0.721 nan 8.280 nan 0.000 0.522 664 G N 3.764 112.085 108.800 -0.798 0.000 2.694 664 G HA2 0.597 4.555 3.960 -0.003 0.000 0.290 664 G HA3 0.597 4.555 3.960 -0.003 0.000 0.290 664 G C -2.205 172.338 174.900 -0.595 0.000 1.386 664 G CA -0.909 43.789 45.100 -0.670 0.000 0.872 664 G HN 0.634 nan 8.290 nan 0.000 0.475 665 V N 0.845 120.641 119.914 -0.197 0.000 2.540 665 V HA 0.542 4.660 4.120 -0.003 0.000 0.302 665 V C -0.120 175.977 176.094 0.005 0.000 1.035 665 V CA -0.489 61.743 62.300 -0.115 0.000 0.873 665 V CB 1.677 33.420 31.823 -0.132 0.000 0.992 665 V HN 0.720 nan 8.190 nan 0.000 0.428 666 M N 3.890 123.449 119.600 -0.069 0.000 2.205 666 M HA 0.477 4.955 4.480 -0.003 0.000 0.344 666 M C -0.767 175.577 176.300 0.074 0.000 1.085 666 M CA -0.095 55.170 55.300 -0.057 0.000 1.001 666 M CB 1.473 34.005 32.600 -0.115 0.000 1.626 666 M HN 0.569 nan 8.290 nan 0.000 0.442 667 C N 2.404 121.785 119.300 0.136 0.000 2.351 667 C HA 0.523 4.982 4.460 -0.003 0.000 0.359 667 C C 0.748 175.814 174.990 0.127 0.000 1.193 667 C CA -1.173 57.947 59.018 0.168 0.000 2.270 667 C CB 1.162 29.041 27.740 0.231 0.000 2.369 667 C HN 0.708 nan 8.230 nan 0.000 0.553 668 K N 0.930 121.322 120.400 -0.013 0.000 2.118 668 K HA 0.292 4.611 4.320 -0.003 0.000 0.240 668 K C 1.131 177.829 176.600 0.164 0.000 1.035 668 K CA -0.023 56.226 56.287 -0.064 0.000 0.899 668 K CB 0.282 32.631 32.500 -0.252 0.000 1.085 668 K HN 0.764 nan 8.250 nan 0.000 0.498 669 A N 1.173 124.164 122.820 0.285 0.000 2.070 669 A HA -0.174 4.144 4.320 -0.003 0.000 0.220 669 A C 1.245 178.869 177.584 0.066 0.000 1.159 669 A CA 2.056 54.214 52.037 0.202 0.000 0.656 669 A CB -0.536 18.631 19.000 0.278 0.000 0.800 669 A HN 0.768 nan 8.150 nan 0.000 0.453 670 D N -1.867 118.568 120.400 0.060 0.000 2.363 670 D HA 0.221 4.860 4.640 -0.003 0.000 0.226 670 D C 1.195 177.519 176.300 0.039 0.000 1.020 670 D CA 0.951 54.972 54.000 0.036 0.000 0.892 670 D CB -0.722 40.102 40.800 0.040 0.000 0.900 670 D HN 0.767 nan 8.370 nan 0.000 0.531 671 G N -0.354 108.458 108.800 0.019 0.000 2.179 671 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.260 671 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.260 671 G C 0.146 175.208 174.900 0.271 0.000 0.977 671 G CA 0.389 45.526 45.100 0.060 0.000 0.641 671 G HN 0.250 nan 8.290 nan 0.000 0.533 672 M N 0.798 120.501 119.600 0.170 0.000 2.216 672 M HA 0.457 4.935 4.480 -0.003 0.000 0.356 672 M C 1.153 177.546 176.300 0.156 0.000 1.205 672 M CA -1.351 54.048 55.300 0.165 0.000 1.122 672 M CB 0.675 33.342 32.600 0.112 0.000 1.571 672 M HN 0.120 nan 8.290 nan 0.000 0.464 673 I N 3.161 123.823 120.570 0.155 0.000 2.828 673 I HA -0.213 3.956 4.170 -0.003 0.000 0.292 673 I C 0.898 177.102 176.117 0.145 0.000 1.206 673 I CA 0.328 61.706 61.300 0.130 0.000 1.420 673 I CB 0.054 38.116 38.000 0.103 0.000 1.368 673 I HN 0.646 nan 8.210 nan 0.000 0.556 674 F N 6.007 125.909 119.950 -0.081 0.000 2.399 674 F HA 0.266 4.791 4.527 -0.003 0.000 0.282 674 F C 0.580 176.307 175.800 -0.121 0.000 1.027 674 F CA 0.541 58.444 58.000 -0.161 0.000 1.333 674 F CB 0.240 39.031 39.000 -0.348 0.000 1.132 674 F HN 0.487 nan 8.300 nan 0.000 0.590 675 D N -0.969 119.149 120.400 -0.470 0.000 2.677 675 D HA 0.346 4.984 4.640 -0.003 0.000 0.298 675 D C -2.017 174.142 176.300 -0.236 0.000 1.250 675 D CA -0.335 53.375 54.000 -0.482 0.000 0.888 675 D CB 1.920 42.229 40.800 -0.817 0.000 1.397 675 D HN 0.209 nan 8.370 nan 0.000 0.461 676 D N -0.514 119.790 120.400 -0.160 0.000 2.665 676 D HA 0.675 5.314 4.640 -0.003 0.000 0.287 676 D C -0.161 176.102 176.300 -0.061 0.000 1.266 676 D CA -0.432 53.500 54.000 -0.115 0.000 0.830 676 D CB 1.037 41.800 40.800 -0.061 0.000 1.356 676 D HN 0.721 nan 8.370 nan 0.000 0.437 677 G N -1.545 107.201 108.800 -0.089 0.000 2.345 677 G HA2 0.451 4.409 3.960 -0.003 0.000 0.285 677 G HA3 0.451 4.409 3.960 -0.003 0.000 0.285 677 G C -1.949 172.978 174.900 0.045 0.000 1.297 677 G CA -0.256 44.866 45.100 0.036 0.000 0.875 677 G HN 0.764 nan 8.290 nan 0.000 0.506 678 V N 0.455 120.433 119.914 0.108 0.000 2.459 678 V HA 0.721 4.839 4.120 -0.003 0.000 0.295 678 V C 0.009 176.240 176.094 0.229 0.000 1.029 678 V CA -0.431 61.940 62.300 0.119 0.000 0.874 678 V CB 1.685 33.529 31.823 0.036 0.000 0.985 678 V HN 0.845 nan 8.190 nan 0.000 0.438 679 T N 6.272 120.939 114.554 0.188 0.000 2.779 679 T HA 0.582 4.930 4.350 -0.003 0.000 0.280 679 T C -0.309 174.559 174.700 0.281 0.000 0.987 679 T CA -0.319 61.918 62.100 0.228 0.000 0.966 679 T CB 0.796 69.731 68.868 0.111 0.000 0.933 679 T HN 0.346 nan 8.240 nan 0.000 0.442 680 L N 3.193 124.546 121.223 0.216 0.000 2.326 680 L HA 0.521 4.859 4.340 -0.003 0.000 0.278 680 L C 0.808 177.789 176.870 0.186 0.000 1.092 680 L CA -0.777 54.133 54.840 0.117 0.000 0.810 680 L CB 0.871 42.757 42.059 -0.289 0.000 1.153 680 L HN 0.411 nan 8.230 nan 0.000 0.439 681 R N 3.217 123.865 120.500 0.246 0.000 2.205 681 R HA 0.290 4.628 4.340 -0.003 0.000 0.342 681 R C 0.561 176.898 176.300 0.063 0.000 1.058 681 R CA -0.318 55.745 56.100 -0.060 0.000 0.904 681 R CB 0.552 30.799 30.300 -0.089 0.000 1.089 681 R HN 0.750 nan 8.270 nan 0.000 0.471 682 L N 2.825 123.990 121.223 -0.097 0.000 2.270 682 L HA 0.270 4.608 4.340 -0.003 0.000 0.210 682 L C 0.821 177.702 176.870 0.017 0.000 1.104 682 L CA 0.563 55.446 54.840 0.071 0.000 0.804 682 L CB -0.044 41.994 42.059 -0.035 0.000 0.937 682 L HN 0.692 nan 8.230 nan 0.000 0.450 683 A N -0.563 122.173 122.820 -0.139 0.000 2.493 683 A HA 0.264 4.582 4.320 -0.003 0.000 0.300 683 A C 0.431 177.895 177.584 -0.199 0.000 1.152 683 A CA -0.191 51.777 52.037 -0.115 0.000 0.643 683 A CB 0.730 19.690 19.000 -0.066 0.000 1.316 683 A HN 0.021 nan 8.150 nan 0.000 0.469 684 E N -0.350 119.784 120.200 -0.110 0.000 2.150 684 E HA -0.127 4.222 4.350 -0.003 0.000 0.193 684 E C -0.179 176.385 176.600 -0.059 0.000 0.985 684 E CA 1.903 58.256 56.400 -0.078 0.000 0.814 684 E CB 0.079 29.769 29.700 -0.016 0.000 0.752 684 E HN 0.474 nan 8.360 nan 0.000 0.466 685 D N 0.079 120.451 120.400 -0.047 0.000 2.670 685 D HA 0.218 4.856 4.640 -0.003 0.000 0.255 685 D C -0.569 175.753 176.300 0.037 0.000 1.286 685 D CA -0.034 53.994 54.000 0.047 0.000 0.830 685 D CB 0.488 41.322 40.800 0.056 0.000 1.065 685 D HN -0.046 nan 8.370 nan 0.000 0.486 686 R N 0.603 121.014 120.500 -0.148 0.000 2.515 686 R HA 0.388 4.726 4.340 -0.003 0.000 0.278 686 R C -1.712 174.416 176.300 -0.285 0.000 1.107 686 R CA -0.408 55.642 56.100 -0.082 0.000 0.945 686 R CB 1.121 31.384 30.300 -0.063 0.000 1.219 686 R HN -0.140 nan 8.270 nan 0.000 0.434 687 F N 2.705 122.677 119.950 0.038 0.000 2.588 687 F HA 0.490 5.016 4.527 -0.003 0.000 0.314 687 F C -0.400 175.386 175.800 -0.024 0.000 1.069 687 F CA -1.037 56.978 58.000 0.026 0.000 0.931 687 F CB 1.849 40.879 39.000 0.049 0.000 1.260 687 F HN 0.217 nan 8.300 nan 0.000 0.465 688 L N 4.253 125.547 121.223 0.119 0.000 2.318 688 L HA 0.531 4.869 4.340 -0.003 0.000 0.277 688 L C -0.756 176.070 176.870 -0.074 0.000 1.008 688 L CA -0.472 54.342 54.840 -0.043 0.000 0.846 688 L CB 1.099 43.063 42.059 -0.158 0.000 1.220 688 L HN 0.699 nan 8.230 nan 0.000 0.423 689 M N 4.088 123.635 119.600 -0.089 0.000 2.188 689 M HA 0.402 4.881 4.480 -0.003 0.000 0.357 689 M C -1.284 174.877 176.300 -0.231 0.000 1.204 689 M CA -0.155 55.112 55.300 -0.055 0.000 1.095 689 M CB 0.595 33.197 32.600 0.003 0.000 1.604 689 M HN 0.681 nan 8.290 nan 0.000 0.464 690 H N 1.998 121.078 119.070 0.017 0.000 2.459 690 H HA 0.498 5.052 4.556 -0.003 0.000 0.332 690 H C -0.026 175.289 175.328 -0.022 0.000 1.094 690 H CA -0.399 55.643 56.048 -0.010 0.000 1.224 690 H CB 1.518 31.263 29.762 -0.028 0.000 1.449 690 H HN 0.707 nan 8.280 nan 0.000 0.484 691 T N -0.796 113.791 114.554 0.055 0.000 2.938 691 T HA 0.406 4.755 4.350 -0.003 0.000 0.285 691 T C 0.502 175.188 174.700 -0.022 0.000 1.028 691 T CA -0.789 61.302 62.100 -0.015 0.000 1.005 691 T CB 1.063 69.899 68.868 -0.054 0.000 1.157 691 T HN 0.667 nan 8.240 nan 0.000 0.550 692 T N -0.553 113.964 114.554 -0.061 0.000 2.855 692 T HA 0.141 4.489 4.350 -0.003 0.000 0.322 692 T C 1.418 176.111 174.700 -0.011 0.000 1.088 692 T CA 0.262 62.335 62.100 -0.045 0.000 1.104 692 T CB -0.301 68.540 68.868 -0.045 0.000 0.996 692 T HN 0.674 nan 8.240 nan 0.000 0.549 693 T N 1.991 116.544 114.554 -0.002 0.000 2.746 693 T HA 0.032 4.381 4.350 -0.003 0.000 0.267 693 T C 2.262 177.033 174.700 0.118 0.000 1.039 693 T CA 1.492 63.607 62.100 0.026 0.000 1.142 693 T CB -0.931 67.909 68.868 -0.046 0.000 0.866 693 T HN 0.870 nan 8.240 nan 0.000 0.444 694 G N 0.449 109.302 108.800 0.088 0.000 2.448 694 G HA2 0.098 4.056 3.960 -0.003 0.000 0.218 694 G HA3 0.098 4.056 3.960 -0.003 0.000 0.218 694 G C 1.461 176.395 174.900 0.056 0.000 1.135 694 G CA 0.697 45.853 45.100 0.094 0.000 0.784 694 G HN 0.573 nan 8.290 nan 0.000 0.543 695 G N 0.138 108.939 108.800 0.001 0.000 3.088 695 G HA2 0.360 4.318 3.960 -0.003 0.000 0.217 695 G HA3 0.360 4.318 3.960 -0.003 0.000 0.217 695 G C 1.654 176.541 174.900 -0.020 0.000 1.159 695 G CA 1.078 46.143 45.100 -0.059 0.000 0.760 695 G HN 0.477 nan 8.290 nan 0.000 0.550 696 A N 1.477 124.318 122.820 0.035 0.000 1.873 696 A HA 0.121 4.439 4.320 -0.003 0.000 0.218 696 A C 2.769 180.396 177.584 0.071 0.000 1.193 696 A CA 2.388 54.458 52.037 0.056 0.000 0.629 696 A CB -0.774 18.289 19.000 0.105 0.000 0.826 696 A HN 0.716 nan 8.150 nan 0.000 0.447 697 A N -0.378 122.490 122.820 0.081 0.000 1.898 697 A HA -0.137 4.182 4.320 -0.003 0.000 0.216 697 A C 1.765 179.421 177.584 0.119 0.000 1.181 697 A CA 1.827 53.914 52.037 0.083 0.000 0.620 697 A CB -0.536 18.501 19.000 0.061 0.000 0.819 697 A HN 0.470 nan 8.150 nan 0.000 0.442 698 D N -0.303 120.183 120.400 0.143 0.000 2.144 698 D HA -0.068 4.571 4.640 -0.003 0.000 0.200 698 D C 2.067 178.589 176.300 0.369 0.000 0.978 698 D CA 1.212 55.356 54.000 0.240 0.000 0.833 698 D CB -0.372 40.601 40.800 0.289 0.000 0.961 698 D HN 0.218 nan 8.370 nan 0.000 0.470 699 V N 1.150 121.215 119.914 0.252 0.000 2.307 699 V HA -0.206 3.912 4.120 -0.003 0.000 0.245 699 V C 2.487 178.767 176.094 0.311 0.000 1.045 699 V CA 1.057 63.521 62.300 0.274 0.000 1.024 699 V CB -0.474 31.360 31.823 0.019 0.000 0.651 699 V HN 0.131 nan 8.190 nan 0.000 0.449 700 L N 0.515 121.856 121.223 0.198 0.000 2.012 700 L HA -0.207 4.131 4.340 -0.003 0.000 0.210 700 L C 2.112 179.106 176.870 0.207 0.000 1.073 700 L CA 2.181 57.125 54.840 0.174 0.000 0.748 700 L CB -0.940 41.184 42.059 0.109 0.000 0.891 700 L HN 0.309 nan 8.230 nan 0.000 0.431 701 D N -1.049 119.478 120.400 0.211 0.000 2.123 701 D HA -0.286 4.352 4.640 -0.003 0.000 0.196 701 D C 1.835 178.300 176.300 0.275 0.000 0.992 701 D CA 1.565 55.682 54.000 0.194 0.000 0.833 701 D CB -0.540 40.358 40.800 0.164 0.000 0.954 701 D HN 0.628 nan 8.370 nan 0.000 0.455 702 W N 1.586 122.982 121.300 0.160 0.000 2.333 702 W HA -0.208 4.450 4.660 -0.003 0.000 0.316 702 W C 1.914 178.650 176.519 0.361 0.000 1.215 702 W CA 0.881 58.363 57.345 0.228 0.000 1.278 702 W CB -0.403 29.228 29.460 0.284 0.000 1.154 702 W HN -0.013 nan 8.180 nan 0.000 0.486 703 L N 0.652 122.109 121.223 0.390 0.000 1.990 703 L HA -0.279 4.060 4.340 -0.003 0.000 0.213 703 L C 2.682 179.719 176.870 0.277 0.000 1.072 703 L CA 1.627 56.689 54.840 0.369 0.000 0.755 703 L CB -1.193 41.097 42.059 0.384 0.000 0.889 703 L HN -0.056 nan 8.230 nan 0.000 0.432 704 E N -0.030 120.269 120.200 0.165 0.000 2.153 704 E HA -0.256 4.092 4.350 -0.003 0.000 0.194 704 E C 2.003 178.599 176.600 -0.006 0.000 0.988 704 E CA 1.081 57.517 56.400 0.060 0.000 0.811 704 E CB -0.088 29.639 29.700 0.046 0.000 0.746 704 E HN 0.537 nan 8.360 nan 0.000 0.466 705 E N -0.141 120.043 120.200 -0.027 0.000 2.051 705 E HA -0.194 4.154 4.350 -0.003 0.000 0.192 705 E C 1.848 178.235 176.600 -0.356 0.000 0.991 705 E CA 1.192 57.468 56.400 -0.207 0.000 0.799 705 E CB -0.124 29.410 29.700 -0.278 0.000 0.748 705 E HN 0.247 nan 8.360 nan 0.000 0.449 706 W N 0.812 121.901 121.300 -0.352 0.000 2.358 706 W HA -0.105 4.554 4.660 -0.002 0.000 0.303 706 W C 2.281 178.613 176.519 -0.312 0.000 1.208 706 W CA 0.709 57.766 57.345 -0.479 0.000 1.274 706 W CB -0.412 28.771 29.460 -0.461 0.000 1.138 706 W HN 0.131 nan 8.180 nan 0.000 0.515 707 L N -0.288 120.974 121.223 0.065 0.000 2.046 707 L HA -0.249 4.089 4.340 -0.003 0.000 0.208 707 L C 2.442 179.275 176.870 -0.062 0.000 1.077 707 L CA 1.428 56.246 54.840 -0.036 0.000 0.747 707 L CB -0.889 41.063 42.059 -0.178 0.000 0.896 707 L HN 0.096 nan 8.230 nan 0.000 0.432 708 Q N -1.046 118.696 119.800 -0.098 0.000 2.212 708 Q HA -0.104 4.234 4.340 -0.003 0.000 0.199 708 Q C 2.104 178.023 176.000 -0.135 0.000 0.950 708 Q CA 1.816 57.559 55.803 -0.100 0.000 0.863 708 Q CB 0.130 28.812 28.738 -0.093 0.000 0.944 708 Q HN 0.620 nan 8.270 nan 0.000 0.465 709 T N -2.855 111.568 114.554 -0.219 0.000 2.990 709 T HA 0.136 4.485 4.350 -0.003 0.000 0.249 709 T C 1.399 175.912 174.700 -0.311 0.000 1.039 709 T CA 0.029 61.973 62.100 -0.260 0.000 1.036 709 T CB 0.398 69.072 68.868 -0.324 0.000 0.994 709 T HN -0.023 nan 8.240 nan 0.000 0.489 710 E N -0.050 119.909 120.200 -0.401 0.000 2.306 710 E HA 0.159 4.508 4.350 -0.003 0.000 0.201 710 E C 0.023 176.457 176.600 -0.277 0.000 0.874 710 E CA 0.369 56.454 56.400 -0.526 0.000 0.972 710 E CB 0.446 29.528 29.700 -1.031 0.000 0.957 710 E HN 0.570 nan 8.360 nan 0.000 0.492 711 W N 3.081 124.395 121.300 0.023 0.000 1.505 711 W HA 0.309 4.967 4.660 -0.003 0.000 0.300 711 W C -1.961 174.529 176.519 -0.047 0.000 0.826 711 W CA -2.098 55.252 57.345 0.008 0.000 2.485 711 W CB 0.370 29.858 29.460 0.046 0.000 2.163 711 W HN 0.020 nan 8.180 nan 0.000 0.518 712 P HA -0.178 nan 4.420 nan 0.000 0.230 712 P C 1.303 178.623 177.300 0.033 0.000 1.158 712 P CA 1.592 64.712 63.100 0.034 0.000 0.769 712 P CB 0.195 31.896 31.700 0.002 0.000 0.807 713 E N 0.276 120.514 120.200 0.063 0.000 2.435 713 E HA -0.031 4.318 4.350 -0.003 0.000 0.195 713 E C 0.652 177.263 176.600 0.017 0.000 1.029 713 E CA 0.077 56.499 56.400 0.036 0.000 0.865 713 E CB -0.689 29.038 29.700 0.045 0.000 0.833 713 E HN 0.307 nan 8.360 nan 0.000 0.510 714 L N 2.561 123.795 121.223 0.018 0.000 2.380 714 L HA 0.100 4.439 4.340 -0.003 0.000 0.273 714 L C 0.308 177.150 176.870 -0.046 0.000 1.138 714 L CA -0.402 54.422 54.840 -0.026 0.000 0.832 714 L CB 0.478 42.502 42.059 -0.059 0.000 1.124 714 L HN -0.083 nan 8.230 nan 0.000 0.454 715 D N 3.688 124.068 120.400 -0.033 0.000 2.435 715 D HA 0.322 4.960 4.640 -0.003 0.000 0.230 715 D C -1.002 175.276 176.300 -0.037 0.000 1.215 715 D CA -0.017 53.967 54.000 -0.027 0.000 0.947 715 D CB 0.380 41.178 40.800 -0.004 0.000 1.048 715 D HN 0.081 nan 8.370 nan 0.000 0.512 716 V N 3.005 122.871 119.914 -0.080 0.000 2.668 716 V HA 0.468 4.587 4.120 -0.003 0.000 0.304 716 V C -0.093 175.952 176.094 -0.081 0.000 1.071 716 V CA -0.803 61.439 62.300 -0.097 0.000 0.894 716 V CB 2.270 33.926 31.823 -0.278 0.000 1.008 716 V HN 0.438 nan 8.190 nan 0.000 0.425 717 T N 3.204 117.745 114.554 -0.022 0.000 2.879 717 T HA 0.509 4.858 4.350 -0.003 0.000 0.290 717 T C -0.606 174.105 174.700 0.019 0.000 0.993 717 T CA -0.336 61.759 62.100 -0.009 0.000 0.975 717 T CB 1.258 70.126 68.868 0.001 0.000 0.981 717 T HN 0.726 nan 8.240 nan 0.000 0.439 718 C N 2.621 121.933 119.300 0.019 0.000 2.456 718 C HA 0.899 5.358 4.460 -0.003 0.000 0.325 718 C C 0.320 175.328 174.990 0.029 0.000 1.217 718 C CA -0.640 58.403 59.018 0.042 0.000 1.687 718 C CB 1.274 29.053 27.740 0.065 0.000 2.270 718 C HN 0.913 nan 8.230 nan 0.000 0.499 719 T N 1.154 115.724 114.554 0.027 0.000 2.971 719 T HA 0.286 4.635 4.350 -0.003 0.000 0.304 719 T C -0.407 174.300 174.700 0.011 0.000 1.038 719 T CA -0.228 61.882 62.100 0.015 0.000 1.007 719 T CB 1.637 70.508 68.868 0.006 0.000 1.055 719 T HN 0.716 nan 8.240 nan 0.000 0.451 720 S N 1.725 117.432 115.700 0.012 0.000 2.516 720 S HA 0.230 4.698 4.470 -0.003 0.000 0.282 720 S C 1.026 175.624 174.600 -0.004 0.000 1.286 720 S CA -0.415 57.791 58.200 0.010 0.000 1.066 720 S CB -0.092 63.119 63.200 0.019 0.000 0.884 720 S HN 0.730 nan 8.310 nan 0.000 0.491 721 V N 2.877 122.783 119.914 -0.013 0.000 3.166 721 V HA 0.261 4.379 4.120 -0.003 0.000 0.332 721 V C 1.422 177.510 176.094 -0.009 0.000 1.434 721 V CA 0.120 62.406 62.300 -0.023 0.000 1.121 721 V CB -0.677 31.122 31.823 -0.039 0.000 1.062 721 V HN 0.749 nan 8.190 nan 0.000 0.489 722 T N 1.360 115.924 114.554 0.017 0.000 2.624 722 T HA -0.212 4.136 4.350 -0.003 0.000 0.268 722 T C 1.577 176.325 174.700 0.080 0.000 1.041 722 T CA 2.607 64.742 62.100 0.059 0.000 1.159 722 T CB -0.198 68.737 68.868 0.111 0.000 0.863 722 T HN 0.675 nan 8.240 nan 0.000 0.434 723 E N 0.296 120.540 120.200 0.073 0.000 2.478 723 E HA -0.003 4.345 4.350 -0.003 0.000 0.194 723 E C 2.172 178.771 176.600 -0.003 0.000 1.045 723 E CA 0.164 56.611 56.400 0.078 0.000 0.868 723 E CB 0.024 29.761 29.700 0.061 0.000 0.885 723 E HN 0.404 nan 8.360 nan 0.000 0.505 724 Q N 0.674 120.452 119.800 -0.037 0.000 2.137 724 Q HA 0.000 4.339 4.340 -0.003 0.000 0.198 724 Q C 0.393 176.338 176.000 -0.092 0.000 0.960 724 Q CA 0.828 56.568 55.803 -0.104 0.000 0.847 724 Q CB 0.252 28.931 28.738 -0.099 0.000 0.915 724 Q HN 0.130 nan 8.270 nan 0.000 0.448 725 L N 1.341 122.546 121.223 -0.029 0.000 2.287 725 L HA 0.687 5.026 4.340 -0.003 0.000 0.287 725 L C -0.275 176.613 176.870 0.030 0.000 1.022 725 L CA -0.989 53.853 54.840 0.003 0.000 0.814 725 L CB 1.529 43.599 42.059 0.018 0.000 1.217 725 L HN 0.079 nan 8.230 nan 0.000 0.420 726 A N 2.566 125.414 122.820 0.048 0.000 2.272 726 A HA 0.822 5.141 4.320 -0.003 0.000 0.275 726 A C -0.092 177.536 177.584 0.074 0.000 1.096 726 A CA -0.187 51.888 52.037 0.062 0.000 0.822 726 A CB 0.783 19.836 19.000 0.090 0.000 1.088 726 A HN 0.652 nan 8.150 nan 0.000 0.495 727 T N 0.313 114.912 114.554 0.075 0.000 3.172 727 T HA 0.460 4.808 4.350 -0.003 0.000 0.320 727 T C -1.157 173.617 174.700 0.124 0.000 1.085 727 T CA -0.355 61.798 62.100 0.087 0.000 1.052 727 T CB 1.237 70.140 68.868 0.060 0.000 1.107 727 T HN 0.551 nan 8.240 nan 0.000 0.458 728 V N 2.459 122.461 119.914 0.146 0.000 2.370 728 V HA 0.773 4.891 4.120 -0.003 0.000 0.283 728 V C 0.379 176.536 176.094 0.104 0.000 1.023 728 V CA -0.942 61.466 62.300 0.179 0.000 0.857 728 V CB 1.297 33.214 31.823 0.156 0.000 0.985 728 V HN 1.087 nan 8.190 nan 0.000 0.443 729 A N 5.031 127.907 122.820 0.094 0.000 2.289 729 A HA 0.723 5.041 4.320 -0.003 0.000 0.298 729 A C -0.407 177.222 177.584 0.075 0.000 1.208 729 A CA -0.376 51.711 52.037 0.083 0.000 0.845 729 A CB 0.708 19.760 19.000 0.086 0.000 1.125 729 A HN 0.717 nan 8.150 nan 0.000 0.517 730 V N 4.035 124.009 119.914 0.099 0.000 2.357 730 V HA 0.459 4.577 4.120 -0.003 0.000 0.284 730 V C -0.392 175.789 176.094 0.145 0.000 1.018 730 V CA -0.387 61.966 62.300 0.088 0.000 0.841 730 V CB 1.111 32.958 31.823 0.041 0.000 0.991 730 V HN 0.619 nan 8.190 nan 0.000 0.437 731 V N 3.782 123.783 119.914 0.144 0.000 2.638 731 V HA 1.026 5.145 4.120 -0.003 0.000 0.306 731 V C 0.388 176.520 176.094 0.064 0.000 1.052 731 V CA 0.266 62.647 62.300 0.135 0.000 0.885 731 V CB 1.326 33.280 31.823 0.218 0.000 0.999 731 V HN 1.271 nan 8.190 nan 0.000 0.424 732 G N 5.862 114.680 108.800 0.030 0.000 2.355 732 G HA2 0.082 4.041 3.960 -0.003 0.000 0.619 732 G HA3 0.082 4.041 3.960 -0.003 0.000 0.619 732 G C -2.600 172.284 174.900 -0.026 0.000 1.337 732 G CA -0.120 44.971 45.100 -0.014 0.000 0.993 732 G HN 0.448 nan 8.290 nan 0.000 0.599 733 P HA -0.079 nan 4.420 nan 0.000 0.219 733 P C 1.340 178.568 177.300 -0.120 0.000 1.146 733 P CA 0.966 64.028 63.100 -0.064 0.000 0.808 733 P CB 0.129 31.793 31.700 -0.059 0.000 0.779 734 R N -0.021 120.365 120.500 -0.191 0.000 2.334 734 R HA 0.123 4.462 4.340 -0.003 0.000 0.220 734 R C 2.100 178.192 176.300 -0.347 0.000 0.917 734 R CA 0.378 56.233 56.100 -0.409 0.000 1.073 734 R CB -1.388 28.498 30.300 -0.691 0.000 1.056 734 R HN 0.339 nan 8.270 nan 0.000 0.506 735 S N -0.145 115.479 115.700 -0.126 0.000 2.383 735 S HA -0.141 4.327 4.470 -0.003 0.000 0.227 735 S C 2.034 176.558 174.600 -0.127 0.000 1.026 735 S CA 0.557 58.738 58.200 -0.031 0.000 0.981 735 S CB -0.121 63.183 63.200 0.173 0.000 0.818 735 S HN 0.231 nan 8.310 nan 0.000 0.472 736 R N 1.484 121.954 120.500 -0.050 0.000 2.096 736 R HA -0.182 4.157 4.340 -0.003 0.000 0.240 736 R C 1.632 177.751 176.300 -0.301 0.000 1.139 736 R CA 2.265 58.227 56.100 -0.229 0.000 0.952 736 R CB -0.617 29.663 30.300 -0.034 0.000 0.854 736 R HN 0.531 nan 8.270 nan 0.000 0.436 737 D N -0.745 119.481 120.400 -0.290 0.000 2.144 737 D HA -0.130 4.508 4.640 -0.003 0.000 0.200 737 D C 1.862 178.076 176.300 -0.144 0.000 0.978 737 D CA 1.178 55.021 54.000 -0.261 0.000 0.833 737 D CB 0.058 40.519 40.800 -0.566 0.000 0.961 737 D HN 0.042 nan 8.370 nan 0.000 0.470 738 V N 1.124 120.925 119.914 -0.188 0.000 2.261 738 V HA -0.212 3.906 4.120 -0.003 0.000 0.246 738 V C 2.304 178.314 176.094 -0.140 0.000 1.047 738 V CA 1.069 63.323 62.300 -0.077 0.000 1.015 738 V CB -0.370 31.405 31.823 -0.080 0.000 0.642 738 V HN 0.239 nan 8.190 nan 0.000 0.446 739 I N 0.783 121.185 120.570 -0.281 0.000 2.226 739 I HA -0.238 3.931 4.170 -0.003 0.000 0.245 739 I C 2.796 178.780 176.117 -0.222 0.000 1.100 739 I CA 1.913 63.012 61.300 -0.335 0.000 1.374 739 I CB -1.714 35.850 38.000 -0.727 0.000 1.057 739 I HN 0.322 nan 8.210 nan 0.000 0.413 740 A N 1.218 123.912 122.820 -0.211 0.000 1.927 740 A HA -0.258 4.060 4.320 -0.003 0.000 0.220 740 A C 2.266 179.815 177.584 -0.058 0.000 1.185 740 A CA 1.970 53.941 52.037 -0.110 0.000 0.639 740 A CB -0.626 18.323 19.000 -0.085 0.000 0.820 740 A HN 0.468 nan 8.150 nan 0.000 0.451 741 K N -1.234 119.139 120.400 -0.045 0.000 2.366 741 K HA 0.079 4.398 4.320 -0.003 0.000 0.198 741 K C 1.253 177.837 176.600 -0.027 0.000 1.044 741 K CA 0.682 56.957 56.287 -0.020 0.000 0.973 741 K CB -0.109 32.392 32.500 0.001 0.000 0.767 741 K HN 0.337 nan 8.250 nan 0.000 0.475 742 L N 0.064 121.261 121.223 -0.043 0.000 2.298 742 L HA 0.113 4.452 4.340 -0.003 0.000 0.209 742 L C 0.656 177.512 176.870 -0.023 0.000 1.084 742 L CA 0.646 55.466 54.840 -0.034 0.000 0.816 742 L CB 0.210 42.242 42.059 -0.045 0.000 0.967 742 L HN -0.048 nan 8.230 nan 0.000 0.460 743 A N -1.382 121.422 122.820 -0.027 0.000 2.483 743 A HA 0.470 4.789 4.320 -0.003 0.000 0.308 743 A C 1.124 178.704 177.584 -0.008 0.000 1.291 743 A CA 0.177 52.209 52.037 -0.008 0.000 0.774 743 A CB 0.496 19.502 19.000 0.009 0.000 1.134 743 A HN 0.196 nan 8.150 nan 0.000 0.471 744 S N 1.506 117.203 115.700 -0.004 0.000 2.368 744 S HA -0.172 4.297 4.470 -0.003 0.000 0.225 744 S C 1.651 176.252 174.600 0.002 0.000 1.030 744 S CA 1.997 60.195 58.200 -0.003 0.000 0.999 744 S CB -0.484 62.715 63.200 -0.002 0.000 0.844 744 S HN 1.502 nan 8.310 nan 0.000 0.459 745 S N 0.516 116.220 115.700 0.007 0.000 2.634 745 S HA 0.371 4.840 4.470 -0.003 0.000 0.221 745 S C 0.359 174.970 174.600 0.018 0.000 0.952 745 S CA -0.664 57.541 58.200 0.010 0.000 0.930 745 S CB -0.497 62.708 63.200 0.008 0.000 0.780 745 S HN 0.534 nan 8.310 nan 0.000 0.498 746 L N 2.733 123.972 121.223 0.026 0.000 2.290 746 L HA 0.369 4.708 4.340 -0.003 0.000 0.284 746 L C -0.639 176.270 176.870 0.065 0.000 1.078 746 L CA -0.185 54.687 54.840 0.054 0.000 0.815 746 L CB 1.023 43.128 42.059 0.077 0.000 1.162 746 L HN 0.170 nan 8.230 nan 0.000 0.435 747 D N 4.013 124.462 120.400 0.083 0.000 2.336 747 D HA 0.102 4.740 4.640 -0.003 0.000 0.249 747 D C 0.716 177.134 176.300 0.195 0.000 1.213 747 D CA -0.254 53.803 54.000 0.095 0.000 0.870 747 D CB 1.281 42.121 40.800 0.067 0.000 1.076 747 D HN 0.378 nan 8.370 nan 0.000 0.483 748 V N 1.755 121.754 119.914 0.143 0.000 3.444 748 V HA 0.190 4.309 4.120 -0.003 0.000 0.308 748 V C 0.798 176.986 176.094 0.157 0.000 1.371 748 V CA -0.124 62.270 62.300 0.156 0.000 1.141 748 V CB -0.980 30.768 31.823 -0.124 0.000 1.037 748 V HN 0.448 nan 8.190 nan 0.000 0.433 749 S N 0.339 116.121 115.700 0.137 0.000 2.576 749 S HA 0.024 4.492 4.470 -0.003 0.000 0.272 749 S C 1.221 175.912 174.600 0.152 0.000 1.352 749 S CA 0.560 58.825 58.200 0.108 0.000 1.021 749 S CB 0.394 63.637 63.200 0.072 0.000 0.887 749 S HN 0.599 nan 8.310 nan 0.000 0.542 750 N N 1.538 120.304 118.700 0.109 0.000 2.104 750 N HA -0.245 4.494 4.740 -0.003 0.000 0.190 750 N C 1.302 176.879 175.510 0.112 0.000 1.024 750 N CA 2.042 55.159 53.050 0.110 0.000 0.853 750 N CB -0.444 38.078 38.487 0.059 0.000 1.008 750 N HN 0.939 nan 8.380 nan 0.000 0.424 751 D N -0.422 120.027 120.400 0.081 0.000 2.234 751 D HA 0.001 4.639 4.640 -0.003 0.000 0.205 751 D C 1.705 178.046 176.300 0.069 0.000 0.962 751 D CA 0.958 54.995 54.000 0.062 0.000 0.855 751 D CB -0.087 40.734 40.800 0.035 0.000 0.951 751 D HN 0.253 nan 8.370 nan 0.000 0.500 752 A N -0.697 122.180 122.820 0.096 0.000 2.072 752 A HA 0.191 4.509 4.320 -0.003 0.000 0.216 752 A C 0.634 178.289 177.584 0.119 0.000 1.156 752 A CA 0.062 52.149 52.037 0.083 0.000 0.701 752 A CB -0.331 18.718 19.000 0.082 0.000 0.816 752 A HN 0.378 nan 8.150 nan 0.000 0.458 753 F N 0.999 120.981 119.950 0.053 0.000 2.824 753 F HA 0.335 4.860 4.527 -0.003 0.000 0.375 753 F C -0.129 175.715 175.800 0.074 0.000 1.190 753 F CA -0.906 57.142 58.000 0.081 0.000 1.180 753 F CB 0.703 39.803 39.000 0.166 0.000 1.477 753 F HN -0.095 nan 8.300 nan 0.000 0.542 754 K N 2.945 123.539 120.400 0.324 0.000 2.168 754 K HA 0.164 4.482 4.320 -0.003 0.000 0.258 754 K C -0.315 176.428 176.600 0.238 0.000 1.010 754 K CA -0.715 55.703 56.287 0.219 0.000 0.929 754 K CB 1.008 33.580 32.500 0.119 0.000 0.998 754 K HN 0.403 nan 8.250 nan 0.000 0.479 755 F N 2.897 122.865 119.950 0.031 0.000 2.623 755 F HA -0.158 4.368 4.527 -0.002 0.000 0.383 755 F C 0.866 176.680 175.800 0.023 0.000 1.077 755 F CA 0.835 58.828 58.000 -0.012 0.000 1.268 755 F CB 0.060 39.037 39.000 -0.039 0.000 1.053 755 F HN 0.572 nan 8.300 nan 0.000 0.571 756 M N 2.561 121.733 119.600 -0.714 0.000 2.908 756 M HA -0.250 4.228 4.480 -0.003 0.000 0.191 756 M C 0.030 176.270 176.300 -0.100 0.000 0.619 756 M CA 1.163 56.160 55.300 -0.505 0.000 0.709 756 M CB -2.673 29.557 32.600 -0.617 0.000 2.554 756 M HN 0.710 nan 8.290 nan 0.000 0.356 757 A N 0.541 123.374 122.820 0.022 0.000 2.264 757 A HA 0.843 5.161 4.320 -0.003 0.000 0.304 757 A C -0.188 177.534 177.584 0.230 0.000 1.100 757 A CA -0.327 51.733 52.037 0.039 0.000 0.839 757 A CB 0.642 19.617 19.000 -0.042 0.000 1.121 757 A HN 0.578 nan 8.150 nan 0.000 0.496 758 F N -1.627 118.339 119.950 0.028 0.000 2.613 758 F HA 0.746 5.271 4.527 -0.003 0.000 0.314 758 F C -0.642 175.090 175.800 -0.112 0.000 1.075 758 F CA -0.859 57.192 58.000 0.084 0.000 0.945 758 F CB 1.531 40.584 39.000 0.090 0.000 1.310 758 F HN 0.551 nan 8.300 nan 0.000 0.467 759 Q N 1.551 121.404 119.800 0.088 0.000 2.347 759 Q HA 0.311 4.649 4.340 -0.003 0.000 0.271 759 Q C -1.806 174.303 176.000 0.182 0.000 1.064 759 Q CA -1.067 54.700 55.803 -0.061 0.000 0.800 759 Q CB 2.989 31.536 28.738 -0.319 0.000 1.304 759 Q HN 0.588 nan 8.270 nan 0.000 0.438 760 D N 2.417 122.907 120.400 0.149 0.000 2.317 760 D HA 0.256 4.894 4.640 -0.003 0.000 0.252 760 D C -0.398 175.953 176.300 0.085 0.000 1.174 760 D CA 0.131 54.215 54.000 0.140 0.000 0.866 760 D CB 1.607 42.481 40.800 0.123 0.000 1.127 760 D HN 0.321 nan 8.370 nan 0.000 0.467 761 V N 0.186 120.157 119.914 0.095 0.000 2.925 761 V HA 0.564 4.683 4.120 -0.003 0.000 0.311 761 V C -0.246 175.882 176.094 0.057 0.000 1.104 761 V CA -0.680 61.663 62.300 0.072 0.000 0.954 761 V CB 2.146 34.024 31.823 0.093 0.000 1.022 761 V HN 0.374 nan 8.190 nan 0.000 0.427 762 T N 6.249 120.826 114.554 0.039 0.000 2.780 762 T HA 0.587 4.935 4.350 -0.003 0.000 0.294 762 T C 0.081 174.792 174.700 0.018 0.000 0.949 762 T CA -0.200 61.916 62.100 0.025 0.000 1.074 762 T CB 0.745 69.624 68.868 0.019 0.000 0.910 762 T HN 0.666 nan 8.240 nan 0.000 0.501 763 L N 2.569 123.796 121.223 0.008 0.000 2.436 763 L HA 0.229 4.567 4.340 -0.003 0.000 0.265 763 L C 1.400 178.266 176.870 -0.006 0.000 1.168 763 L CA -0.814 54.026 54.840 0.000 0.000 0.815 763 L CB 0.417 42.471 42.059 -0.007 0.000 1.109 763 L HN 0.570 nan 8.230 nan 0.000 0.462 764 D N 0.076 120.473 120.400 -0.005 0.000 2.158 764 D HA -0.182 4.456 4.640 -0.003 0.000 0.197 764 D C 2.150 178.446 176.300 -0.006 0.000 0.995 764 D CA 1.777 55.775 54.000 -0.004 0.000 0.846 764 D CB -0.038 40.759 40.800 -0.004 0.000 0.941 764 D HN 0.698 nan 8.370 nan 0.000 0.456 765 S N -0.996 114.697 115.700 -0.011 0.000 2.400 765 S HA -0.026 4.442 4.470 -0.003 0.000 0.232 765 S C 1.903 176.489 174.600 -0.023 0.000 1.025 765 S CA 1.447 59.639 58.200 -0.015 0.000 0.993 765 S CB -0.145 63.043 63.200 -0.020 0.000 0.808 765 S HN 0.409 nan 8.310 nan 0.000 0.478 766 G N 0.471 109.253 108.800 -0.031 0.000 2.192 766 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.193 766 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.193 766 G C -0.037 174.824 174.900 -0.065 0.000 0.999 766 G CA -0.180 44.902 45.100 -0.029 0.000 0.659 766 G HN 0.537 nan 8.290 nan 0.000 0.503 767 I N 1.750 122.247 120.570 -0.122 0.000 2.452 767 I HA 0.328 4.496 4.170 -0.003 0.000 0.287 767 I C 0.689 176.765 176.117 -0.069 0.000 1.079 767 I CA -0.463 60.709 61.300 -0.213 0.000 1.387 767 I CB 1.144 38.945 38.000 -0.331 0.000 1.404 767 I HN 0.160 nan 8.210 nan 0.000 0.522 768 E N 6.256 126.446 120.200 -0.018 0.000 2.316 768 E HA 0.556 4.905 4.350 -0.003 0.000 0.275 768 E C -0.938 175.695 176.600 0.055 0.000 1.029 768 E CA -0.249 56.172 56.400 0.035 0.000 0.871 768 E CB 1.054 30.789 29.700 0.058 0.000 1.022 768 E HN 0.635 nan 8.360 nan 0.000 0.418 769 A N 4.616 127.475 122.820 0.065 0.000 2.469 769 A HA 0.759 5.077 4.320 -0.003 0.000 0.299 769 A C -0.997 176.652 177.584 0.108 0.000 1.098 769 A CA -0.849 51.239 52.037 0.085 0.000 0.737 769 A CB 1.377 20.426 19.000 0.081 0.000 1.312 769 A HN 0.639 nan 8.150 nan 0.000 0.414 770 R N 0.924 121.497 120.500 0.122 0.000 2.494 770 R HA 0.722 5.060 4.340 -0.003 0.000 0.305 770 R C -1.704 174.719 176.300 0.206 0.000 0.959 770 R CA -0.426 55.773 56.100 0.165 0.000 0.864 770 R CB 0.930 31.294 30.300 0.108 0.000 1.159 770 R HN 0.649 nan 8.270 nan 0.000 0.446 771 I N 3.232 123.989 120.570 0.312 0.000 2.382 771 I HA 0.301 4.469 4.170 -0.003 0.000 0.286 771 I C -0.629 175.800 176.117 0.519 0.000 1.002 771 I CA -0.600 60.929 61.300 0.381 0.000 1.135 771 I CB 2.132 40.385 38.000 0.422 0.000 1.288 771 I HN 0.577 nan 8.210 nan 0.000 0.448 772 S N 5.521 121.430 115.700 0.350 0.000 2.482 772 S HA 0.475 4.944 4.470 -0.003 0.000 0.303 772 S C -0.029 174.645 174.600 0.124 0.000 1.091 772 S CA -0.885 57.503 58.200 0.313 0.000 1.057 772 S CB 1.937 65.234 63.200 0.162 0.000 1.031 772 S HN 0.498 nan 8.310 nan 0.000 0.485 773 R N 2.201 122.739 120.500 0.063 0.000 3.266 773 R HA 0.339 4.678 4.340 -0.003 0.000 0.224 773 R C -0.864 175.300 176.300 -0.226 0.000 1.525 773 R CA 0.081 56.034 56.100 -0.245 0.000 1.364 773 R CB -0.442 29.692 30.300 -0.278 0.000 1.276 773 R HN 0.529 nan 8.270 nan 0.000 0.660 774 I N 0.312 120.790 120.570 -0.153 0.000 2.404 774 I HA 0.203 4.372 4.170 -0.003 0.000 0.293 774 I C 0.101 176.207 176.117 -0.018 0.000 0.992 774 I CA -0.402 60.819 61.300 -0.131 0.000 1.149 774 I CB 2.063 39.982 38.000 -0.135 0.000 1.315 774 I HN 0.207 nan 8.210 nan 0.000 0.446 775 S N 4.880 120.634 115.700 0.090 0.000 2.538 775 S HA 0.520 4.988 4.470 -0.003 0.000 0.288 775 S C -0.576 174.190 174.600 0.276 0.000 1.108 775 S CA -0.322 57.992 58.200 0.191 0.000 0.971 775 S CB 1.144 64.486 63.200 0.237 0.000 1.041 775 S HN 0.480 nan 8.310 nan 0.000 0.483 776 F N 3.758 123.777 119.950 0.115 0.000 2.764 776 F HA 0.371 4.896 4.527 -0.003 0.000 0.310 776 F C 1.264 177.286 175.800 0.369 0.000 1.124 776 F CA -0.063 58.037 58.000 0.166 0.000 1.252 776 F CB 0.311 39.376 39.000 0.109 0.000 1.010 776 F HN 0.629 nan 8.300 nan 0.000 0.518 777 S N -2.633 113.263 115.700 0.328 0.000 2.651 777 S HA 0.405 4.873 4.470 -0.003 0.000 0.259 777 S C 1.579 176.224 174.600 0.075 0.000 1.073 777 S CA 0.352 58.620 58.200 0.113 0.000 1.090 777 S CB 0.493 63.736 63.200 0.073 0.000 1.042 777 S HN 0.596 nan 8.310 nan 0.000 0.581 778 G N 1.295 110.195 108.800 0.167 0.000 2.199 778 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.254 778 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.254 778 G C -0.151 174.769 174.900 0.033 0.000 0.982 778 G CA 0.310 45.456 45.100 0.076 0.000 0.632 778 G HN 0.511 nan 8.290 nan 0.000 0.529 779 E N -0.134 120.093 120.200 0.046 0.000 2.318 779 E HA 0.519 4.868 4.350 -0.003 0.000 0.265 779 E C 0.645 177.244 176.600 -0.001 0.000 1.069 779 E CA -1.063 55.345 56.400 0.014 0.000 0.893 779 E CB 1.382 31.087 29.700 0.008 0.000 1.076 779 E HN 0.383 nan 8.360 nan 0.000 0.414 780 L N 1.426 122.629 121.223 -0.032 0.000 2.559 780 L HA 0.183 4.521 4.340 -0.003 0.000 0.282 780 L C -0.603 176.233 176.870 -0.057 0.000 1.232 780 L CA 0.639 55.441 54.840 -0.064 0.000 0.885 780 L CB -0.135 41.901 42.059 -0.039 0.000 1.131 780 L HN 0.541 nan 8.230 nan 0.000 0.498 781 A N 4.771 127.475 122.820 -0.195 0.000 2.566 781 A HA 0.705 5.023 4.320 -0.003 0.000 0.297 781 A C -1.551 175.790 177.584 -0.405 0.000 1.059 781 A CA -0.510 51.454 52.037 -0.121 0.000 0.691 781 A CB 0.624 19.631 19.000 0.013 0.000 1.282 781 A HN 0.523 nan 8.150 nan 0.000 0.401 782 F N 0.904 120.826 119.950 -0.047 0.000 2.529 782 F HA 0.480 5.005 4.527 -0.003 0.000 0.320 782 F C 0.396 176.183 175.800 -0.023 0.000 1.118 782 F CA -0.194 57.759 58.000 -0.078 0.000 0.915 782 F CB 2.406 41.315 39.000 -0.152 0.000 1.161 782 F HN 0.566 nan 8.300 nan 0.000 0.445 783 E N 4.302 124.586 120.200 0.141 0.000 2.134 783 E HA 0.469 4.817 4.350 -0.003 0.000 0.278 783 E C -0.897 175.783 176.600 0.133 0.000 0.959 783 E CA -0.513 55.949 56.400 0.102 0.000 0.783 783 E CB 2.151 31.868 29.700 0.027 0.000 1.095 783 E HN 0.472 nan 8.360 nan 0.000 0.399 784 I N 2.501 123.141 120.570 0.116 0.000 2.330 784 I HA 0.339 4.507 4.170 -0.003 0.000 0.289 784 I C -0.180 176.001 176.117 0.106 0.000 1.001 784 I CA -0.485 60.883 61.300 0.114 0.000 1.193 784 I CB 1.414 39.465 38.000 0.085 0.000 1.345 784 I HN 0.443 nan 8.210 nan 0.000 0.461 785 A N 8.745 131.630 122.820 0.108 0.000 2.287 785 A HA 0.845 5.163 4.320 -0.003 0.000 0.317 785 A C -0.451 177.191 177.584 0.097 0.000 1.220 785 A CA -0.472 51.625 52.037 0.099 0.000 0.835 785 A CB 0.743 19.802 19.000 0.098 0.000 1.180 785 A HN 0.647 nan 8.150 nan 0.000 0.500 786 I N -0.248 120.384 120.570 0.103 0.000 3.042 786 I HA 0.671 4.840 4.170 -0.003 0.000 0.310 786 I C -3.164 173.021 176.117 0.114 0.000 1.117 786 I CA -3.079 58.295 61.300 0.124 0.000 1.003 786 I CB 1.184 39.281 38.000 0.162 0.000 1.228 786 I HN 0.183 nan 8.210 nan 0.000 0.443 787 P HA 0.057 nan 4.420 nan 0.000 0.261 787 P C 0.681 177.975 177.300 -0.009 0.000 1.173 787 P CA 0.498 63.590 63.100 -0.014 0.000 0.760 787 P CB 0.617 32.323 31.700 0.009 0.000 0.783 788 A N 4.883 127.633 122.820 -0.116 0.000 1.948 788 A HA -0.180 4.138 4.320 -0.003 0.000 0.220 788 A C 1.405 179.060 177.584 0.117 0.000 1.177 788 A CA 1.658 53.699 52.037 0.005 0.000 0.636 788 A CB -1.507 17.487 19.000 -0.011 0.000 0.815 788 A HN 0.787 nan 8.150 nan 0.000 0.449 789 W N -1.150 120.126 121.300 -0.041 0.000 2.961 789 W HA 0.086 4.745 4.660 -0.003 0.000 0.240 789 W C 0.790 177.214 176.519 -0.158 0.000 1.305 789 W CA 0.421 57.704 57.345 -0.102 0.000 1.465 789 W CB -1.277 28.095 29.460 -0.146 0.000 1.135 789 W HN 0.446 nan 8.180 nan 0.000 0.688 790 H N -0.184 119.156 119.070 0.450 0.000 2.586 790 H HA 0.280 4.834 4.556 -0.003 0.000 0.273 790 H C 2.114 177.553 175.328 0.184 0.000 0.997 790 H CA 0.592 56.805 56.048 0.275 0.000 1.177 790 H CB -0.269 29.648 29.762 0.257 0.000 1.471 790 H HN 0.344 nan 8.280 nan 0.000 0.538 791 G N 1.123 110.077 108.800 0.257 0.000 2.418 791 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.217 791 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.217 791 G C 1.749 176.749 174.900 0.167 0.000 1.158 791 G CA 0.196 45.407 45.100 0.186 0.000 0.771 791 G HN 0.312 nan 8.290 nan 0.000 0.545 792 L N -0.270 121.039 121.223 0.143 0.000 2.005 792 L HA -0.097 4.241 4.340 -0.003 0.000 0.207 792 L C 3.002 179.973 176.870 0.169 0.000 1.072 792 L CA 2.073 56.988 54.840 0.125 0.000 0.744 792 L CB -0.395 41.735 42.059 0.117 0.000 0.895 792 L HN 0.303 nan 8.230 nan 0.000 0.433 793 Q N -0.167 119.738 119.800 0.175 0.000 2.082 793 Q HA -0.241 4.098 4.340 -0.003 0.000 0.211 793 Q C 1.887 177.967 176.000 0.132 0.000 1.002 793 Q CA 2.844 58.742 55.803 0.159 0.000 0.868 793 Q CB -0.701 28.148 28.738 0.184 0.000 0.931 793 Q HN 0.411 nan 8.270 nan 0.000 0.414 794 V N -0.209 119.793 119.914 0.147 0.000 2.358 794 V HA -0.205 3.913 4.120 -0.003 0.000 0.246 794 V C 1.952 178.093 176.094 0.079 0.000 1.047 794 V CA 1.715 64.077 62.300 0.104 0.000 1.035 794 V CB -0.908 30.987 31.823 0.119 0.000 0.658 794 V HN 0.586 nan 8.190 nan 0.000 0.452 795 W N 1.433 122.670 121.300 -0.105 0.000 2.317 795 W HA -0.236 4.422 4.660 -0.003 0.000 0.318 795 W C 2.313 178.658 176.519 -0.291 0.000 1.227 795 W CA 2.388 59.577 57.345 -0.259 0.000 1.269 795 W CB -0.178 29.042 29.460 -0.400 0.000 1.155 795 W HN 0.372 nan 8.180 nan 0.000 0.484 796 E N -0.083 120.102 120.200 -0.024 0.000 2.110 796 E HA -0.228 4.120 4.350 -0.003 0.000 0.193 796 E C 1.626 178.245 176.600 0.031 0.000 0.988 796 E CA 1.591 58.004 56.400 0.022 0.000 0.804 796 E CB -0.341 29.464 29.700 0.175 0.000 0.745 796 E HN 0.167 nan 8.360 nan 0.000 0.458 797 D N 0.300 120.707 120.400 0.011 0.000 2.117 797 D HA -0.128 4.510 4.640 -0.003 0.000 0.197 797 D C 2.077 178.341 176.300 -0.060 0.000 0.987 797 D CA 0.814 54.810 54.000 -0.007 0.000 0.829 797 D CB -0.236 40.566 40.800 0.002 0.000 0.961 797 D HN 0.028 nan 8.370 nan 0.000 0.460 798 V N 0.595 120.432 119.914 -0.129 0.000 2.343 798 V HA -0.258 3.861 4.120 -0.003 0.000 0.247 798 V C 2.189 178.167 176.094 -0.193 0.000 1.051 798 V CA 1.264 63.452 62.300 -0.187 0.000 1.036 798 V CB -0.614 31.031 31.823 -0.296 0.000 0.654 798 V HN 0.149 nan 8.190 nan 0.000 0.451 799 Y N 1.425 121.477 120.300 -0.415 0.000 2.114 799 Y HA -0.222 4.327 4.550 -0.003 0.000 0.284 799 Y C 2.419 178.242 175.900 -0.130 0.000 1.143 799 Y CA 1.408 59.306 58.100 -0.337 0.000 1.135 799 Y CB -0.845 37.398 38.460 -0.361 0.000 0.980 799 Y HN 0.147 nan 8.280 nan 0.000 0.499 800 A N 0.619 123.400 122.820 -0.065 0.000 1.859 800 A HA -0.228 4.091 4.320 -0.003 0.000 0.217 800 A C 2.480 179.989 177.584 -0.125 0.000 1.198 800 A CA 2.650 54.631 52.037 -0.094 0.000 0.629 800 A CB -1.697 17.301 19.000 -0.004 0.000 0.830 800 A HN 0.627 nan 8.150 nan 0.000 0.446 801 A N -1.076 121.695 122.820 -0.082 0.000 2.024 801 A HA 0.092 4.411 4.320 -0.003 0.000 0.220 801 A C 2.196 179.767 177.584 -0.021 0.000 1.164 801 A CA 1.970 53.977 52.037 -0.049 0.000 0.643 801 A CB -1.070 17.913 19.000 -0.028 0.000 0.806 801 A HN 0.917 nan 8.150 nan 0.000 0.451 802 G N -1.914 106.852 108.800 -0.057 0.000 3.042 802 G HA2 0.099 4.057 3.960 -0.003 0.000 0.212 802 G HA3 0.099 4.057 3.960 -0.003 0.000 0.212 802 G C 1.249 176.091 174.900 -0.095 0.000 1.166 802 G CA 0.284 45.404 45.100 0.032 0.000 0.767 802 G HN 0.399 nan 8.290 nan 0.000 0.546 803 Q N 1.302 120.961 119.800 -0.237 0.000 2.112 803 Q HA -0.197 4.142 4.340 -0.003 0.000 0.206 803 Q C 2.310 178.163 176.000 -0.245 0.000 0.987 803 Q CA 1.819 57.456 55.803 -0.277 0.000 0.858 803 Q CB -0.350 28.223 28.738 -0.275 0.000 0.905 803 Q HN 0.914 nan 8.270 nan 0.000 0.420 804 E N -0.627 119.350 120.200 -0.371 0.000 2.418 804 E HA -0.096 4.252 4.350 -0.003 0.000 0.197 804 E C 0.555 176.816 176.600 -0.565 0.000 1.026 804 E CA 0.446 56.547 56.400 -0.500 0.000 0.862 804 E CB -0.130 29.173 29.700 -0.660 0.000 0.799 804 E HN 0.260 nan 8.360 nan 0.000 0.518 805 F N 0.794 120.701 119.950 -0.073 0.000 2.647 805 F HA 0.298 4.824 4.527 -0.003 0.000 0.300 805 F C 0.202 175.970 175.800 -0.052 0.000 1.106 805 F CA -0.588 57.378 58.000 -0.057 0.000 1.313 805 F CB -0.131 38.836 39.000 -0.055 0.000 1.007 805 F HN -0.081 nan 8.300 nan 0.000 0.536 806 N N 1.617 120.339 118.700 0.036 0.000 2.758 806 N HA -0.267 4.471 4.740 -0.003 0.000 0.248 806 N C -0.096 175.436 175.510 0.038 0.000 1.076 806 N CA 0.123 53.186 53.050 0.021 0.000 0.696 806 N CB -1.418 37.092 38.487 0.038 0.000 0.979 806 N HN 0.486 nan 8.380 nan 0.000 0.550 807 I N 0.626 121.204 120.570 0.013 0.000 2.742 807 I HA -0.014 4.154 4.170 -0.003 0.000 0.287 807 I C -0.062 176.102 176.117 0.079 0.000 1.186 807 I CA 0.654 61.971 61.300 0.028 0.000 1.417 807 I CB 0.263 38.248 38.000 -0.024 0.000 1.377 807 I HN 0.237 nan 8.210 nan 0.000 0.556 808 T N 9.160 123.771 114.554 0.095 0.000 2.772 808 T HA 0.403 4.751 4.350 -0.003 0.000 0.288 808 T C -2.423 172.356 174.700 0.131 0.000 0.994 808 T CA -1.113 61.064 62.100 0.128 0.000 0.951 808 T CB 1.184 70.115 68.868 0.103 0.000 0.933 808 T HN 0.399 nan 8.240 nan 0.000 0.447 809 P HA 0.258 nan 4.420 nan 0.000 0.271 809 P C -1.147 176.158 177.300 0.008 0.000 1.218 809 P CA -0.230 62.782 63.100 -0.147 0.000 0.780 809 P CB 0.199 31.574 31.700 -0.542 0.000 0.901 810 Y N -0.494 119.849 120.300 0.071 0.000 2.644 810 Y HA 0.855 5.403 4.550 -0.002 0.000 0.338 810 Y C -0.057 176.119 175.900 0.461 0.000 1.119 810 Y CA -1.151 57.130 58.100 0.301 0.000 1.060 810 Y CB 0.756 39.321 38.460 0.175 0.000 1.294 810 Y HN 0.548 nan 8.280 nan 0.000 0.472 811 G N -0.374 108.699 108.800 0.455 0.000 3.262 811 G HA2 0.381 4.340 3.960 -0.003 0.000 0.229 811 G HA3 0.381 4.340 3.960 -0.003 0.000 0.229 811 G C 0.407 175.442 174.900 0.226 0.000 1.280 811 G CA -0.383 44.854 45.100 0.228 0.000 0.951 811 G HN 1.023 nan 8.290 nan 0.000 0.589 812 T N -1.800 112.853 114.554 0.165 0.000 2.803 812 T HA -0.147 4.201 4.350 -0.003 0.000 0.269 812 T C 1.850 176.526 174.700 -0.040 0.000 1.052 812 T CA 2.125 64.259 62.100 0.057 0.000 1.136 812 T CB -0.128 68.731 68.868 -0.015 0.000 0.864 812 T HN 0.404 nan 8.240 nan 0.000 0.467 813 E N 1.180 121.506 120.200 0.209 0.000 2.046 813 E HA -0.038 4.310 4.350 -0.003 0.000 0.190 813 E C 2.417 179.091 176.600 0.122 0.000 0.982 813 E CA 1.603 58.113 56.400 0.183 0.000 0.800 813 E CB -0.849 28.947 29.700 0.161 0.000 0.756 813 E HN 0.519 nan 8.360 nan 0.000 0.449 814 T N 1.157 115.813 114.554 0.169 0.000 2.746 814 T HA -0.157 4.191 4.350 -0.003 0.000 0.267 814 T C 1.743 176.501 174.700 0.097 0.000 1.039 814 T CA 1.391 63.547 62.100 0.093 0.000 1.142 814 T CB -0.279 68.657 68.868 0.114 0.000 0.866 814 T HN 0.210 nan 8.240 nan 0.000 0.444 815 M N 0.531 120.343 119.600 0.354 0.000 2.143 815 M HA -0.208 4.270 4.480 -0.003 0.000 0.258 815 M C 2.031 178.481 176.300 0.250 0.000 1.071 815 M CA 1.897 57.436 55.300 0.400 0.000 1.088 815 M CB -0.450 32.426 32.600 0.460 0.000 1.360 815 M HN 0.500 nan 8.290 nan 0.000 0.404 816 H N -1.520 117.553 119.070 0.005 0.000 2.395 816 H HA -0.073 4.481 4.556 -0.003 0.000 0.299 816 H C 2.126 177.065 175.328 -0.649 0.000 1.070 816 H CA 1.102 57.037 56.048 -0.188 0.000 1.356 816 H CB 0.222 29.975 29.762 -0.015 0.000 1.401 816 H HN 0.252 nan 8.280 nan 0.000 0.524 817 V N 1.439 121.001 119.914 -0.586 0.000 2.233 817 V HA -0.280 3.838 4.120 -0.003 0.000 0.247 817 V C 2.535 178.402 176.094 -0.379 0.000 1.050 817 V CA 1.618 63.474 62.300 -0.739 0.000 1.010 817 V CB -0.614 30.988 31.823 -0.368 0.000 0.637 817 V HN 0.319 nan 8.190 nan 0.000 0.444 818 L N 0.349 121.404 121.223 -0.280 0.000 2.012 818 L HA -0.223 4.115 4.340 -0.003 0.000 0.210 818 L C 2.822 179.522 176.870 -0.283 0.000 1.073 818 L CA 2.281 56.968 54.840 -0.256 0.000 0.748 818 L CB -0.762 41.181 42.059 -0.193 0.000 0.891 818 L HN 0.442 nan 8.230 nan 0.000 0.431 819 R N 0.926 121.226 120.500 -0.334 0.000 2.120 819 R HA -0.071 4.267 4.340 -0.003 0.000 0.234 819 R C 2.041 178.090 176.300 -0.417 0.000 1.123 819 R CA 1.440 57.231 56.100 -0.515 0.000 0.975 819 R CB -1.154 28.486 30.300 -1.100 0.000 0.866 819 R HN 0.226 nan 8.270 nan 0.000 0.446 820 A N 1.240 123.909 122.820 -0.252 0.000 1.968 820 A HA -0.070 4.248 4.320 -0.003 0.000 0.217 820 A C 1.885 179.515 177.584 0.076 0.000 1.169 820 A CA 1.248 53.286 52.037 0.002 0.000 0.638 820 A CB -0.358 18.750 19.000 0.181 0.000 0.812 820 A HN 0.522 nan 8.150 nan 0.000 0.446 821 E N -0.133 120.017 120.200 -0.083 0.000 2.265 821 E HA -0.134 4.215 4.350 -0.003 0.000 0.196 821 E C 1.039 177.456 176.600 -0.306 0.000 0.996 821 E CA 0.840 57.047 56.400 -0.322 0.000 0.832 821 E CB 0.034 29.500 29.700 -0.391 0.000 0.756 821 E HN 0.284 nan 8.360 nan 0.000 0.491 822 K N -0.463 119.652 120.400 -0.475 0.000 2.404 822 K HA 0.094 4.413 4.320 -0.003 0.000 0.194 822 K C 0.936 177.102 176.600 -0.723 0.000 1.023 822 K CA 0.570 56.400 56.287 -0.762 0.000 1.094 822 K CB 0.655 32.275 32.500 -1.466 0.000 0.841 822 K HN 0.220 nan 8.250 nan 0.000 0.523 823 G N 2.083 110.654 108.800 -0.380 0.000 2.225 823 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.267 823 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.267 823 G C -0.168 174.716 174.900 -0.028 0.000 1.024 823 G CA 0.002 45.019 45.100 -0.139 0.000 0.784 823 G HN 0.130 nan 8.290 nan 0.000 0.507 824 F N 0.236 120.150 119.950 -0.060 0.000 2.389 824 F HA 0.594 5.120 4.527 -0.003 0.000 0.337 824 F C 1.343 177.153 175.800 0.016 0.000 1.112 824 F CA -1.911 56.064 58.000 -0.042 0.000 1.192 824 F CB 0.605 39.480 39.000 -0.209 0.000 1.185 824 F HN 0.306 nan 8.300 nan 0.000 0.552 825 I N 1.756 122.531 120.570 0.342 0.000 2.499 825 I HA 0.456 4.625 4.170 -0.003 0.000 0.296 825 I C -0.693 175.609 176.117 0.308 0.000 0.992 825 I CA -0.491 60.967 61.300 0.263 0.000 1.297 825 I CB 1.159 39.295 38.000 0.228 0.000 1.410 825 I HN 0.211 nan 8.210 nan 0.000 0.507 826 I N 6.378 127.073 120.570 0.208 0.000 2.330 826 I HA 0.241 4.409 4.170 -0.003 0.000 0.289 826 I C 0.162 176.385 176.117 0.178 0.000 1.001 826 I CA -0.661 60.745 61.300 0.177 0.000 1.193 826 I CB 1.507 39.508 38.000 0.000 0.000 1.345 826 I HN 0.439 nan 8.210 nan 0.000 0.461 827 V N 6.468 126.470 119.914 0.146 0.000 2.599 827 V HA 0.230 4.349 4.120 -0.003 0.000 0.300 827 V C 1.380 177.550 176.094 0.126 0.000 1.034 827 V CA 1.497 63.867 62.300 0.116 0.000 1.115 827 V CB 0.531 32.383 31.823 0.049 0.000 0.934 827 V HN 1.144 nan 8.190 nan 0.000 0.485 828 G N 3.434 112.318 108.800 0.140 0.000 2.253 828 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.251 828 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.251 828 G C 0.640 175.655 174.900 0.190 0.000 0.998 828 G CA 0.666 45.855 45.100 0.148 0.000 0.621 828 G HN 0.665 nan 8.290 nan 0.000 0.524 829 Q N -0.479 119.461 119.800 0.233 0.000 2.388 829 Q HA 0.145 4.484 4.340 -0.003 0.000 0.204 829 Q C 1.345 177.459 176.000 0.189 0.000 0.946 829 Q CA 0.777 56.740 55.803 0.266 0.000 0.880 829 Q CB 0.114 29.166 28.738 0.523 0.000 0.997 829 Q HN 0.460 nan 8.270 nan 0.000 0.552 830 D N 1.585 122.122 120.400 0.229 0.000 2.348 830 D HA -0.001 4.637 4.640 -0.003 0.000 0.211 830 D C 0.474 176.845 176.300 0.117 0.000 0.998 830 D CA 0.698 54.761 54.000 0.105 0.000 0.873 830 D CB 0.597 41.496 40.800 0.165 0.000 0.925 830 D HN 0.262 nan 8.370 nan 0.000 0.524 831 T N -0.325 114.330 114.554 0.169 0.000 2.863 831 T HA 0.389 4.738 4.350 -0.003 0.000 0.285 831 T C -0.270 174.548 174.700 0.197 0.000 1.009 831 T CA -0.843 61.359 62.100 0.170 0.000 0.989 831 T CB 2.296 71.248 68.868 0.140 0.000 1.004 831 T HN -0.189 nan 8.240 nan 0.000 0.455 832 D N 0.116 120.637 120.400 0.201 0.000 2.620 832 D HA 0.289 4.927 4.640 -0.003 0.000 0.260 832 D C 1.401 177.773 176.300 0.119 0.000 1.367 832 D CA -0.044 54.061 54.000 0.174 0.000 0.805 832 D CB -0.367 40.561 40.800 0.213 0.000 1.096 832 D HN 1.205 nan 8.370 nan 0.000 0.488 833 G N 0.591 109.461 108.800 0.116 0.000 2.179 833 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.260 833 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.260 833 G C 0.908 175.864 174.900 0.094 0.000 0.977 833 G CA 0.855 46.010 45.100 0.093 0.000 0.641 833 G HN 0.820 nan 8.290 nan 0.000 0.533 834 T N -2.858 111.764 114.554 0.113 0.000 3.091 834 T HA 0.583 4.931 4.350 -0.003 0.000 0.277 834 T C 0.223 175.001 174.700 0.130 0.000 0.996 834 T CA 0.475 62.644 62.100 0.114 0.000 0.897 834 T CB 1.012 69.946 68.868 0.110 0.000 1.109 834 T HN 0.704 nan 8.240 nan 0.000 0.534 835 V N 3.448 123.443 119.914 0.135 0.000 2.384 835 V HA 0.597 4.716 4.120 -0.003 0.000 0.287 835 V C 0.711 176.880 176.094 0.125 0.000 1.020 835 V CA -0.693 61.684 62.300 0.128 0.000 0.850 835 V CB 1.275 33.175 31.823 0.128 0.000 0.987 835 V HN 0.668 nan 8.190 nan 0.000 0.436 836 T N 2.855 117.475 114.554 0.110 0.000 2.881 836 T HA 0.406 4.755 4.350 -0.003 0.000 0.278 836 T C -1.873 172.838 174.700 0.019 0.000 0.982 836 T CA -1.998 60.166 62.100 0.107 0.000 0.989 836 T CB 1.735 70.638 68.868 0.059 0.000 1.058 836 T HN 0.373 nan 8.240 nan 0.000 0.529 837 P HA -0.081 nan 4.420 nan 0.000 0.218 837 P C 1.431 178.630 177.300 -0.167 0.000 1.148 837 P CA 1.094 64.138 63.100 -0.093 0.000 0.822 837 P CB 0.015 31.648 31.700 -0.111 0.000 0.784 838 Q N -0.598 119.065 119.800 -0.229 0.000 2.079 838 Q HA -0.140 4.198 4.340 -0.003 0.000 0.200 838 Q C 1.866 177.773 176.000 -0.156 0.000 0.974 838 Q CA 1.419 57.090 55.803 -0.220 0.000 0.840 838 Q CB -0.973 27.602 28.738 -0.272 0.000 0.898 838 Q HN 0.247 nan 8.270 nan 0.000 0.430 839 D N 0.577 120.927 120.400 -0.084 0.000 2.133 839 D HA -0.158 4.480 4.640 -0.003 0.000 0.195 839 D C 1.230 177.534 176.300 0.007 0.000 0.997 839 D CA 1.605 55.608 54.000 0.005 0.000 0.840 839 D CB -0.292 40.556 40.800 0.079 0.000 0.947 839 D HN 0.324 nan 8.370 nan 0.000 0.452 840 A N -0.421 122.400 122.820 0.001 0.000 2.259 840 A HA 0.419 4.737 4.320 -0.003 0.000 0.208 840 A C 1.611 179.211 177.584 0.026 0.000 1.201 840 A CA 0.913 52.969 52.037 0.032 0.000 0.824 840 A CB -0.407 18.625 19.000 0.053 0.000 0.838 840 A HN 0.263 nan 8.150 nan 0.000 0.485 841 G N -1.440 107.346 108.800 -0.023 0.000 2.147 841 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.244 841 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.244 841 G C 0.279 175.188 174.900 0.014 0.000 1.005 841 G CA 0.479 45.587 45.100 0.012 0.000 0.713 841 G HN 0.447 nan 8.290 nan 0.000 0.515 842 M N -0.122 119.369 119.600 -0.181 0.000 2.876 842 M HA 0.244 4.722 4.480 -0.003 0.000 0.367 842 M C 1.459 177.416 176.300 -0.572 0.000 1.242 842 M CA -0.050 54.887 55.300 -0.605 0.000 0.889 842 M CB 0.785 33.065 32.600 -0.533 0.000 1.353 842 M HN 0.239 nan 8.290 nan 0.000 0.511 843 E N 1.897 121.927 120.200 -0.285 0.000 2.114 843 E HA -0.220 4.128 4.350 -0.003 0.000 0.199 843 E C 1.757 178.296 176.600 -0.101 0.000 1.008 843 E CA 2.639 58.943 56.400 -0.160 0.000 0.810 843 E CB -0.081 29.593 29.700 -0.044 0.000 0.739 843 E HN 0.709 nan 8.360 nan 0.000 0.456 844 W N -0.530 120.781 121.300 0.019 0.000 2.392 844 W HA -0.043 4.616 4.660 -0.003 0.000 0.279 844 W C 1.659 178.201 176.519 0.039 0.000 1.225 844 W CA 0.706 58.068 57.345 0.029 0.000 1.233 844 W CB -1.040 28.438 29.460 0.030 0.000 1.122 844 W HN -0.010 nan 8.180 nan 0.000 0.561 845 V N 2.034 121.653 119.914 -0.493 0.000 3.217 845 V HA -0.057 4.061 4.120 -0.003 0.000 0.264 845 V C 0.827 176.815 176.094 -0.177 0.000 1.135 845 V CA 0.659 62.718 62.300 -0.401 0.000 1.142 845 V CB -0.502 30.815 31.823 -0.844 0.000 0.754 845 V HN -0.071 nan 8.190 nan 0.000 0.484 846 V N 1.481 121.336 119.914 -0.098 0.000 2.408 846 V HA 0.225 4.343 4.120 -0.003 0.000 0.267 846 V C 0.568 176.758 176.094 0.160 0.000 1.047 846 V CA 0.158 62.495 62.300 0.062 0.000 0.937 846 V CB 1.034 32.930 31.823 0.121 0.000 0.999 846 V HN 0.412 nan 8.190 nan 0.000 0.472 847 S N 4.330 120.157 115.700 0.212 0.000 2.516 847 S HA 0.142 4.611 4.470 -0.003 0.000 0.282 847 S C 0.990 175.748 174.600 0.263 0.000 1.286 847 S CA -0.502 57.829 58.200 0.219 0.000 1.066 847 S CB 0.363 63.694 63.200 0.217 0.000 0.884 847 S HN 0.899 nan 8.310 nan 0.000 0.491 848 K N 4.584 125.085 120.400 0.169 0.000 2.417 848 K HA 0.304 4.622 4.320 -0.003 0.000 0.196 848 K C 0.706 177.370 176.600 0.108 0.000 1.023 848 K CA 0.617 56.986 56.287 0.136 0.000 1.122 848 K CB -0.037 32.525 32.500 0.104 0.000 0.850 848 K HN 0.610 nan 8.250 nan 0.000 0.521 849 L N -0.171 121.121 121.223 0.115 0.000 2.537 849 L HA 0.261 4.600 4.340 -0.003 0.000 0.224 849 L C -0.046 176.875 176.870 0.085 0.000 1.065 849 L CA -0.263 54.628 54.840 0.085 0.000 0.860 849 L CB 0.160 42.262 42.059 0.072 0.000 1.086 849 L HN 0.139 nan 8.230 nan 0.000 0.482 850 K N -1.771 118.704 120.400 0.125 0.000 2.480 850 K HA 0.503 4.822 4.320 -0.003 0.000 0.258 850 K C -1.283 175.405 176.600 0.146 0.000 0.990 850 K CA -0.808 55.548 56.287 0.115 0.000 0.857 850 K CB 1.196 33.762 32.500 0.110 0.000 1.384 850 K HN -0.316 nan 8.250 nan 0.000 0.446 851 D N 0.009 120.446 120.400 0.063 0.000 2.294 851 D HA 0.591 5.229 4.640 -0.003 0.000 0.250 851 D C -0.949 175.387 176.300 0.059 0.000 1.058 851 D CA -0.287 53.683 54.000 -0.050 0.000 0.950 851 D CB 0.553 41.302 40.800 -0.084 0.000 1.158 851 D HN 0.472 nan 8.370 nan 0.000 0.453 852 F N -0.943 118.986 119.950 -0.035 0.000 2.713 852 F HA 0.417 4.942 4.527 -0.003 0.000 0.311 852 F C -1.063 174.684 175.800 -0.088 0.000 1.141 852 F CA -1.384 56.576 58.000 -0.067 0.000 0.939 852 F CB 0.344 39.321 39.000 -0.037 0.000 1.325 852 F HN -0.013 nan 8.300 nan 0.000 0.453 853 V N 2.546 122.536 119.914 0.127 0.000 2.475 853 V HA 0.360 4.478 4.120 -0.003 0.000 0.292 853 V C 1.002 177.175 176.094 0.131 0.000 1.003 853 V CA 1.864 64.172 62.300 0.014 0.000 1.120 853 V CB -0.176 31.509 31.823 -0.231 0.000 0.937 853 V HN 1.521 nan 8.190 nan 0.000 0.476 854 G N 4.209 112.971 108.800 -0.063 0.000 2.339 854 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.209 854 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.209 854 G C 1.091 175.575 174.900 -0.693 0.000 1.015 854 G CA 0.378 45.362 45.100 -0.194 0.000 0.635 854 G HN 0.649 nan 8.290 nan 0.000 0.499 855 K N 0.638 120.494 120.400 -0.906 0.000 2.074 855 K HA -0.149 4.169 4.320 -0.003 0.000 0.209 855 K C 2.444 178.625 176.600 -0.699 0.000 1.048 855 K CA 1.949 57.535 56.287 -1.168 0.000 0.926 855 K CB -0.137 31.529 32.500 -1.390 0.000 0.713 855 K HN 0.265 nan 8.250 nan 0.000 0.444 856 R N 0.740 120.975 120.500 -0.442 0.000 2.139 856 R HA -0.062 4.276 4.340 -0.003 0.000 0.243 856 R C 1.736 177.928 176.300 -0.180 0.000 1.145 856 R CA 2.045 58.008 56.100 -0.229 0.000 0.976 856 R CB -0.645 29.571 30.300 -0.140 0.000 0.866 856 R HN 0.098 nan 8.270 nan 0.000 0.449 857 S N -0.295 115.240 115.700 -0.275 0.000 2.481 857 S HA 0.030 4.499 4.470 -0.003 0.000 0.231 857 S C 1.361 175.988 174.600 0.046 0.000 0.996 857 S CA 0.674 58.801 58.200 -0.120 0.000 0.942 857 S CB -0.253 62.879 63.200 -0.114 0.000 0.768 857 S HN 0.380 nan 8.310 nan 0.000 0.520 858 F N 1.957 121.913 119.950 0.010 0.000 2.451 858 F HA -0.080 4.446 4.527 -0.002 0.000 0.299 858 F C 2.463 178.275 175.800 0.020 0.000 1.101 858 F CA 0.535 58.549 58.000 0.023 0.000 1.436 858 F CB -0.120 38.893 39.000 0.022 0.000 1.074 858 F HN 0.280 nan 8.300 nan 0.000 0.553 859 S N -0.584 115.219 115.700 0.172 0.000 2.556 859 S HA 0.162 4.631 4.470 -0.003 0.000 0.216 859 S C 0.620 175.268 174.600 0.079 0.000 0.970 859 S CA -0.596 57.668 58.200 0.107 0.000 0.912 859 S CB -0.095 63.146 63.200 0.068 0.000 0.790 859 S HN 0.140 nan 8.310 nan 0.000 0.504 860 R N 1.643 122.192 120.500 0.083 0.000 2.738 860 R HA 0.209 4.548 4.340 -0.003 0.000 0.268 860 R C 1.413 177.753 176.300 0.066 0.000 1.062 860 R CA 0.123 56.261 56.100 0.063 0.000 1.158 860 R CB 0.356 30.692 30.300 0.060 0.000 1.046 860 R HN 0.404 nan 8.270 nan 0.000 0.493 861 E N 1.275 121.506 120.200 0.051 0.000 2.065 861 E HA -0.332 4.016 4.350 -0.003 0.000 0.201 861 E C 1.126 177.759 176.600 0.055 0.000 1.016 861 E CA 2.281 58.710 56.400 0.048 0.000 0.818 861 E CB -0.010 29.713 29.700 0.038 0.000 0.749 861 E HN 0.631 nan 8.360 nan 0.000 0.453 862 D N -0.440 119.995 120.400 0.058 0.000 2.178 862 D HA -0.114 4.525 4.640 -0.003 0.000 0.202 862 D C 1.650 177.996 176.300 0.078 0.000 0.974 862 D CA 1.150 55.188 54.000 0.062 0.000 0.841 862 D CB -0.088 40.748 40.800 0.061 0.000 0.953 862 D HN 0.201 nan 8.370 nan 0.000 0.478 863 N N -0.368 118.389 118.700 0.095 0.000 2.381 863 N HA -0.097 4.642 4.740 -0.003 0.000 0.182 863 N C 1.493 177.057 175.510 0.090 0.000 1.025 863 N CA 1.187 54.306 53.050 0.115 0.000 0.888 863 N CB 0.515 39.107 38.487 0.175 0.000 0.965 863 N HN 0.275 nan 8.380 nan 0.000 0.438 864 V N -1.644 118.316 119.914 0.077 0.000 3.542 864 V HA 0.265 4.383 4.120 -0.003 0.000 0.296 864 V C 0.840 176.968 176.094 0.057 0.000 1.364 864 V CA -0.336 62.002 62.300 0.063 0.000 1.118 864 V CB -0.326 31.532 31.823 0.058 0.000 0.972 864 V HN 0.010 nan 8.190 nan 0.000 0.430 865 R N 1.217 121.752 120.500 0.059 0.000 2.758 865 R HA 0.080 4.419 4.340 -0.003 0.000 0.263 865 R C 0.910 177.245 176.300 0.058 0.000 1.010 865 R CA 0.735 56.866 56.100 0.052 0.000 1.114 865 R CB 0.534 30.864 30.300 0.050 0.000 0.985 865 R HN 0.545 nan 8.270 nan 0.000 0.439 866 E N 0.592 120.819 120.200 0.045 0.000 2.400 866 E HA -0.089 4.259 4.350 -0.003 0.000 0.195 866 E C 0.194 176.808 176.600 0.024 0.000 1.012 866 E CA 0.575 57.003 56.400 0.047 0.000 0.875 866 E CB 0.284 30.006 29.700 0.036 0.000 0.859 866 E HN 0.564 nan 8.360 nan 0.000 0.498 867 D N 0.429 120.834 120.400 0.008 0.000 2.388 867 D HA 0.008 4.646 4.640 -0.003 0.000 0.221 867 D C 0.164 176.440 176.300 -0.040 0.000 1.133 867 D CA -0.262 53.719 54.000 -0.031 0.000 0.831 867 D CB -0.136 40.656 40.800 -0.014 0.000 0.962 867 D HN -0.103 nan 8.370 nan 0.000 0.502 868 R N 1.043 121.545 120.500 0.002 0.000 2.697 868 R HA 0.083 4.421 4.340 -0.003 0.000 0.265 868 R C 0.372 176.649 176.300 -0.038 0.000 1.009 868 R CA 0.229 56.353 56.100 0.041 0.000 1.099 868 R CB 0.761 31.140 30.300 0.131 0.000 0.965 868 R HN 0.051 nan 8.270 nan 0.000 0.428 869 K N 2.827 123.247 120.400 0.035 0.000 2.379 869 K HA 0.055 4.373 4.320 -0.003 0.000 0.284 869 K C -0.318 176.363 176.600 0.136 0.000 1.044 869 K CA 0.236 56.536 56.287 0.023 0.000 0.974 869 K CB 0.451 33.002 32.500 0.086 0.000 0.962 869 K HN 0.515 nan 8.250 nan 0.000 0.474 870 H N 1.449 120.530 119.070 0.019 0.000 2.479 870 H HA 0.198 4.752 4.556 -0.003 0.000 0.335 870 H C -0.333 174.992 175.328 -0.006 0.000 1.142 870 H CA -1.060 54.995 56.048 0.011 0.000 1.234 870 H CB 1.560 31.330 29.762 0.013 0.000 1.503 870 H HN 0.218 nan 8.280 nan 0.000 0.510 871 L N 4.988 126.286 121.223 0.125 0.000 2.407 871 L HA 0.138 4.477 4.340 -0.003 0.000 0.282 871 L C -0.239 176.670 176.870 0.066 0.000 1.110 871 L CA 0.046 54.918 54.840 0.054 0.000 0.863 871 L CB -0.365 41.725 42.059 0.051 0.000 1.207 871 L HN 0.485 nan 8.230 nan 0.000 0.454 872 V N 1.808 121.750 119.914 0.046 0.000 3.105 872 V HA 0.757 4.875 4.120 -0.003 0.000 0.311 872 V C -0.130 175.991 176.094 0.046 0.000 1.282 872 V CA -0.544 61.787 62.300 0.052 0.000 1.065 872 V CB 1.678 33.538 31.823 0.061 0.000 1.136 872 V HN 0.708 nan 8.190 nan 0.000 0.469 873 S N -0.825 114.910 115.700 0.059 0.000 2.739 873 S HA 0.906 5.374 4.470 -0.003 0.000 0.306 873 S C -0.876 173.768 174.600 0.074 0.000 1.115 873 S CA -0.614 57.642 58.200 0.095 0.000 0.985 873 S CB 1.775 65.055 63.200 0.132 0.000 1.133 873 S HN 1.535 nan 8.310 nan 0.000 0.541 874 V N 0.896 120.870 119.914 0.101 0.000 2.888 874 V HA 0.557 4.675 4.120 -0.003 0.000 0.309 874 V C -1.687 174.468 176.094 0.102 0.000 1.114 874 V CA -0.771 61.569 62.300 0.067 0.000 0.940 874 V CB 1.852 33.689 31.823 0.023 0.000 1.021 874 V HN 0.922 nan 8.190 nan 0.000 0.426 875 L N 7.077 128.346 121.223 0.077 0.000 2.415 875 L HA 0.491 4.829 4.340 -0.003 0.000 0.268 875 L C -2.606 174.298 176.870 0.057 0.000 0.984 875 L CA -1.649 53.244 54.840 0.088 0.000 0.853 875 L CB 2.286 44.391 42.059 0.076 0.000 1.215 875 L HN 0.431 nan 8.230 nan 0.000 0.419 876 P HA -0.049 nan 4.420 nan 0.000 0.264 876 P C 1.132 178.453 177.300 0.035 0.000 1.193 876 P CA -0.163 62.958 63.100 0.036 0.000 0.763 876 P CB 0.871 32.589 31.700 0.031 0.000 0.810 877 V N 0.510 120.439 119.914 0.026 0.000 2.407 877 V HA -0.147 3.972 4.120 -0.003 0.000 0.248 877 V C 0.914 177.021 176.094 0.021 0.000 1.055 877 V CA 1.630 63.943 62.300 0.022 0.000 1.049 877 V CB -1.055 30.778 31.823 0.017 0.000 0.662 877 V HN 0.369 nan 8.190 nan 0.000 0.455 878 D N 1.638 122.050 120.400 0.020 0.000 2.348 878 D HA 0.112 4.751 4.640 -0.003 0.000 0.259 878 D C 1.436 177.752 176.300 0.027 0.000 1.296 878 D CA 0.835 54.846 54.000 0.019 0.000 0.931 878 D CB 1.153 41.962 40.800 0.014 0.000 1.067 878 D HN 0.608 nan 8.370 nan 0.000 0.503 879 S N 1.576 117.294 115.700 0.031 0.000 2.603 879 S HA -0.119 4.349 4.470 -0.003 0.000 0.229 879 S C 1.422 176.051 174.600 0.048 0.000 0.972 879 S CA 0.654 58.880 58.200 0.044 0.000 0.935 879 S CB -0.192 63.033 63.200 0.041 0.000 0.769 879 S HN 0.357 nan 8.310 nan 0.000 0.536 880 S N 0.031 115.751 115.700 0.033 0.000 2.540 880 S HA 0.327 4.795 4.470 -0.003 0.000 0.222 880 S C 0.199 174.810 174.600 0.020 0.000 1.008 880 S CA -0.594 57.622 58.200 0.027 0.000 0.939 880 S CB -0.446 62.761 63.200 0.012 0.000 0.865 880 S HN 0.402 nan 8.310 nan 0.000 0.499 881 L N 3.679 124.913 121.223 0.019 0.000 2.456 881 L HA 0.494 4.832 4.340 -0.003 0.000 0.277 881 L C 0.047 176.921 176.870 0.007 0.000 1.124 881 L CA -0.173 54.673 54.840 0.010 0.000 0.880 881 L CB 0.199 42.264 42.059 0.010 0.000 1.192 881 L HN 0.277 nan 8.230 nan 0.000 0.463 882 R N 5.245 125.742 120.500 -0.004 0.000 2.202 882 R HA 0.453 4.791 4.340 -0.003 0.000 0.334 882 R C -0.980 175.298 176.300 -0.037 0.000 1.036 882 R CA -0.334 55.751 56.100 -0.026 0.000 0.878 882 R CB 0.224 30.508 30.300 -0.026 0.000 1.067 882 R HN 0.781 nan 8.270 nan 0.000 0.457 883 L N 3.628 124.819 121.223 -0.054 0.000 2.461 883 L HA 0.237 4.576 4.340 -0.003 0.000 0.272 883 L C 0.623 177.457 176.870 -0.060 0.000 1.197 883 L CA -0.347 54.464 54.840 -0.049 0.000 0.836 883 L CB 0.722 42.748 42.059 -0.055 0.000 1.105 883 L HN 0.790 nan 8.230 nan 0.000 0.477 884 A N 3.223 126.026 122.820 -0.028 0.000 2.492 884 A HA 0.131 4.449 4.320 -0.003 0.000 0.254 884 A C 0.201 177.774 177.584 -0.018 0.000 1.091 884 A CA -0.359 51.669 52.037 -0.015 0.000 0.768 884 A CB -0.205 18.801 19.000 0.010 0.000 1.028 884 A HN 0.768 nan 8.150 nan 0.000 0.498 885 E N 1.007 121.188 120.200 -0.033 0.000 2.417 885 E HA 0.332 4.680 4.350 -0.003 0.000 0.261 885 E C 1.187 177.836 176.600 0.082 0.000 1.000 885 E CA 1.079 57.467 56.400 -0.021 0.000 0.919 885 E CB 0.327 29.998 29.700 -0.048 0.000 0.955 885 E HN 1.165 nan 8.360 nan 0.000 0.455 886 G N 2.266 111.191 108.800 0.209 0.000 2.259 886 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.217 886 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.217 886 G C 0.459 175.480 174.900 0.201 0.000 1.001 886 G CA -0.291 44.956 45.100 0.245 0.000 0.627 886 G HN 0.842 nan 8.290 nan 0.000 0.501 887 A N 0.690 123.591 122.820 0.134 0.000 2.584 887 A HA 0.580 4.898 4.320 -0.003 0.000 0.239 887 A C 1.008 178.676 177.584 0.141 0.000 1.043 887 A CA 1.472 53.565 52.037 0.095 0.000 0.756 887 A CB 0.105 19.133 19.000 0.046 0.000 0.963 887 A HN 2.159 nan 8.150 nan 0.000 0.511 888 A N 2.562 125.442 122.820 0.100 0.000 2.327 888 A HA 0.600 4.918 4.320 -0.003 0.000 0.283 888 A C -0.396 177.236 177.584 0.079 0.000 1.127 888 A CA -0.387 51.714 52.037 0.108 0.000 0.810 888 A CB 0.198 19.237 19.000 0.064 0.000 1.066 888 A HN 0.738 nan 8.150 nan 0.000 0.492 889 L N 2.555 123.831 121.223 0.088 0.000 2.322 889 L HA 0.626 4.964 4.340 -0.003 0.000 0.281 889 L C -0.064 176.834 176.870 0.046 0.000 1.014 889 L CA -0.373 54.501 54.840 0.056 0.000 0.815 889 L CB 1.376 43.464 42.059 0.049 0.000 1.247 889 L HN 0.452 nan 8.230 nan 0.000 0.421 890 V N 2.228 122.161 119.914 0.032 0.000 2.823 890 V HA 0.805 4.923 4.120 -0.003 0.000 0.312 890 V C 0.046 176.151 176.094 0.019 0.000 1.072 890 V CA -0.939 61.376 62.300 0.025 0.000 0.937 890 V CB 2.213 34.049 31.823 0.021 0.000 1.013 890 V HN 0.920 nan 8.190 nan 0.000 0.430 891 A N 3.053 125.882 122.820 0.015 0.000 2.425 891 A HA 0.570 4.888 4.320 -0.003 0.000 0.242 891 A C 1.487 179.078 177.584 0.011 0.000 1.077 891 A CA 0.551 52.595 52.037 0.011 0.000 0.781 891 A CB 0.417 19.423 19.000 0.009 0.000 1.020 891 A HN 1.595 nan 8.150 nan 0.000 0.494 892 A N 1.141 123.967 122.820 0.010 0.000 1.978 892 A HA -0.136 4.182 4.320 -0.003 0.000 0.220 892 A C 1.329 178.918 177.584 0.008 0.000 1.170 892 A CA 1.976 54.019 52.037 0.009 0.000 0.636 892 A CB -0.482 18.523 19.000 0.009 0.000 0.810 892 A HN 0.887 nan 8.150 nan 0.000 0.448 893 D N -0.336 120.068 120.400 0.007 0.000 2.340 893 D HA 0.368 5.006 4.640 -0.003 0.000 0.217 893 D C 0.561 176.865 176.300 0.007 0.000 1.081 893 D CA 0.381 54.385 54.000 0.007 0.000 0.842 893 D CB -0.642 40.162 40.800 0.006 0.000 0.934 893 D HN 0.351 nan 8.370 nan 0.000 0.511 894 A N 0.789 123.614 122.820 0.008 0.000 2.520 894 A HA 0.461 4.779 4.320 -0.003 0.000 0.245 894 A C 0.494 178.082 177.584 0.007 0.000 1.072 894 A CA -0.286 51.756 52.037 0.008 0.000 0.761 894 A CB 0.277 19.283 19.000 0.010 0.000 1.004 894 A HN 0.355 nan 8.150 nan 0.000 0.499 895 V N -0.459 119.459 119.914 0.006 0.000 2.960 895 V HA 0.906 5.024 4.120 -0.003 0.000 0.315 895 V C 0.201 176.298 176.094 0.005 0.000 1.087 895 V CA -0.566 61.737 62.300 0.005 0.000 0.982 895 V CB 1.503 33.328 31.823 0.005 0.000 1.039 895 V HN 1.534 nan 8.190 nan 0.000 0.437 896 A N 2.130 124.953 122.820 0.004 0.000 2.252 896 A HA 0.724 5.042 4.320 -0.003 0.000 0.309 896 A C 0.296 177.882 177.584 0.003 0.000 1.285 896 A CA -0.369 51.670 52.037 0.003 0.000 0.900 896 A CB 0.252 19.254 19.000 0.003 0.000 1.157 896 A HN 1.052 nan 8.150 nan 0.000 0.536 897 S N 2.570 118.271 115.700 0.002 0.000 2.410 897 S HA 0.391 4.860 4.470 -0.003 0.000 0.304 897 S C 0.066 174.667 174.600 0.001 0.000 1.095 897 S CA -0.429 57.772 58.200 0.002 0.000 1.089 897 S CB 0.274 63.475 63.200 0.002 0.000 0.968 897 S HN 0.804 nan 8.310 nan 0.000 0.480 898 E N 1.509 121.709 120.200 0.000 0.000 2.442 898 E HA -0.226 4.122 4.350 -0.003 0.000 0.256 898 E C 0.915 177.514 176.600 -0.001 0.000 1.095 898 E CA 0.390 56.790 56.400 -0.000 0.000 0.747 898 E CB -1.581 28.118 29.700 -0.001 0.000 1.310 898 E HN 1.285 nan 8.360 nan 0.000 0.396 899 G N -1.358 107.442 108.800 -0.000 0.000 2.184 899 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.264 899 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.264 899 G C 0.298 175.198 174.900 -0.001 0.000 0.975 899 G CA 0.367 45.467 45.100 -0.001 0.000 0.642 899 G HN 0.410 nan 8.290 nan 0.000 0.536 900 V N 1.470 121.383 119.914 -0.001 0.000 2.347 900 V HA 0.693 4.812 4.120 -0.003 0.000 0.280 900 V C 0.514 176.609 176.094 0.002 0.000 1.021 900 V CA 0.261 62.560 62.300 -0.000 0.000 0.847 900 V CB 1.535 33.357 31.823 -0.001 0.000 0.990 900 V HN 0.629 nan 8.190 nan 0.000 0.444 901 T N 5.432 119.988 114.554 0.003 0.000 2.792 901 T HA 0.600 4.948 4.350 -0.003 0.000 0.280 901 T C -2.586 172.119 174.700 0.007 0.000 0.990 901 T CA -1.936 60.168 62.100 0.005 0.000 0.960 901 T CB 1.605 70.477 68.868 0.006 0.000 0.939 901 T HN 0.451 nan 8.240 nan 0.000 0.439 902 P HA 0.234 nan 4.420 nan 0.000 0.265 902 P C -0.600 176.710 177.300 0.016 0.000 1.193 902 P CA 0.073 63.180 63.100 0.011 0.000 0.765 902 P CB 0.292 31.998 31.700 0.010 0.000 0.823 903 M N 2.294 121.907 119.600 0.022 0.000 2.472 903 M HA 0.175 4.653 4.480 -0.003 0.000 0.331 903 M C 1.105 177.429 176.300 0.040 0.000 1.170 903 M CA -0.493 54.827 55.300 0.034 0.000 1.009 903 M CB 1.849 34.474 32.600 0.041 0.000 1.672 903 M HN 0.259 nan 8.290 nan 0.000 0.453 904 E N 0.974 121.200 120.200 0.044 0.000 2.400 904 E HA 0.316 4.665 4.350 -0.003 0.000 0.195 904 E C 0.699 177.335 176.600 0.060 0.000 1.012 904 E CA 0.325 56.746 56.400 0.036 0.000 0.875 904 E CB 0.726 30.439 29.700 0.021 0.000 0.859 904 E HN 0.953 nan 8.360 nan 0.000 0.498 905 G N 0.054 108.918 108.800 0.107 0.000 2.350 905 G HA2 0.224 4.182 3.960 -0.003 0.000 0.276 905 G HA3 0.224 4.182 3.960 -0.003 0.000 0.276 905 G C -1.791 173.273 174.900 0.275 0.000 1.313 905 G CA -0.445 44.771 45.100 0.192 0.000 0.903 905 G HN 0.042 nan 8.290 nan 0.000 0.490 906 W N -0.725 120.569 121.300 -0.010 0.000 3.137 906 W HA 0.678 5.337 4.660 -0.002 0.000 0.324 906 W C -1.330 175.172 176.519 -0.029 0.000 1.253 906 W CA -1.321 56.011 57.345 -0.021 0.000 1.183 906 W CB 0.821 30.265 29.460 -0.025 0.000 1.424 906 W HN 0.685 nan 8.180 nan 0.000 0.566 907 V N 2.695 122.590 119.914 -0.031 0.000 2.385 907 V HA 0.161 4.279 4.120 -0.003 0.000 0.269 907 V C 1.370 177.254 176.094 -0.350 0.000 1.043 907 V CA 0.663 62.835 62.300 -0.213 0.000 0.906 907 V CB 0.743 32.514 31.823 -0.086 0.000 0.995 907 V HN 0.719 nan 8.190 nan 0.000 0.467 908 T N 0.843 114.985 114.554 -0.687 0.000 3.035 908 T HA 0.132 4.480 4.350 -0.003 0.000 0.259 908 T C 0.466 174.630 174.700 -0.894 0.000 1.078 908 T CA 0.571 62.156 62.100 -0.858 0.000 1.132 908 T CB -0.058 68.288 68.868 -0.871 0.000 0.900 908 T HN 0.693 nan 8.240 nan 0.000 0.480 909 H N -0.081 118.855 119.070 -0.224 0.000 3.026 909 H HA 0.667 5.222 4.556 -0.003 0.000 0.352 909 H C -1.191 173.816 175.328 -0.535 0.000 1.090 909 H CA -0.605 55.262 56.048 -0.301 0.000 1.268 909 H CB 2.002 31.719 29.762 -0.074 0.000 1.816 909 H HN 0.421 nan 8.280 nan 0.000 0.518 910 A N 3.094 125.471 122.820 -0.738 0.000 2.381 910 A HA 0.688 5.006 4.320 -0.003 0.000 0.299 910 A C -1.775 175.147 177.584 -1.103 0.000 1.049 910 A CA -0.536 51.043 52.037 -0.763 0.000 0.715 910 A CB 0.688 19.461 19.000 -0.378 0.000 1.222 910 A HN 0.577 nan 8.150 nan 0.000 0.428 911 Y N 0.422 120.430 120.300 -0.486 0.000 2.605 911 Y HA 0.466 5.014 4.550 -0.003 0.000 0.343 911 Y C 0.380 176.209 175.900 -0.119 0.000 1.036 911 Y CA -0.890 57.047 58.100 -0.273 0.000 1.065 911 Y CB 1.918 40.227 38.460 -0.250 0.000 1.288 911 Y HN 0.736 nan 8.280 nan 0.000 0.481 912 N N 0.772 119.584 118.700 0.187 0.000 2.426 912 N HA 0.206 4.944 4.740 -0.003 0.000 0.257 912 N C -1.238 174.433 175.510 0.268 0.000 1.002 912 N CA -0.035 53.152 53.050 0.227 0.000 0.942 912 N CB 0.730 39.343 38.487 0.209 0.000 1.112 912 N HN 0.541 nan 8.380 nan 0.000 0.499 913 S N 4.472 120.342 115.700 0.283 0.000 2.420 913 S HA 0.332 4.800 4.470 -0.003 0.000 0.313 913 S C -1.691 172.866 174.600 -0.073 0.000 1.079 913 S CA -1.896 56.373 58.200 0.115 0.000 1.104 913 S CB 1.223 64.493 63.200 0.116 0.000 0.969 913 S HN 0.510 nan 8.310 nan 0.000 0.471 914 P HA -0.093 nan 4.420 nan 0.000 0.215 914 P C 1.417 178.546 177.300 -0.286 0.000 1.157 914 P CA 1.497 64.290 63.100 -0.512 0.000 0.868 914 P CB 0.058 31.244 31.700 -0.858 0.000 0.788 915 A N -0.749 121.843 122.820 -0.381 0.000 1.908 915 A HA -0.165 4.153 4.320 -0.003 0.000 0.218 915 A C 2.140 179.592 177.584 -0.220 0.000 1.181 915 A CA 1.654 53.426 52.037 -0.442 0.000 0.627 915 A CB -1.614 16.765 19.000 -1.035 0.000 0.818 915 A HN 0.158 nan 8.150 nan 0.000 0.445 916 L N -1.647 119.460 121.223 -0.192 0.000 2.529 916 L HA 0.218 4.556 4.340 -0.003 0.000 0.223 916 L C 1.666 178.524 176.870 -0.020 0.000 1.113 916 L CA 0.464 55.251 54.840 -0.089 0.000 0.861 916 L CB -0.175 41.784 42.059 -0.166 0.000 1.012 916 L HN 0.574 nan 8.230 nan 0.000 0.461 917 G N 1.741 110.539 108.800 -0.003 0.000 2.198 917 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.260 917 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.260 917 G C 0.263 175.210 174.900 0.078 0.000 1.025 917 G CA 0.751 45.883 45.100 0.053 0.000 0.769 917 G HN 0.549 nan 8.290 nan 0.000 0.507 918 R N -2.076 118.483 120.500 0.098 0.000 2.741 918 R HA 0.625 4.963 4.340 -0.003 0.000 0.276 918 R C -0.097 176.321 176.300 0.196 0.000 1.028 918 R CA -0.189 55.983 56.100 0.121 0.000 0.865 918 R CB -0.082 30.271 30.300 0.088 0.000 1.268 918 R HN 0.602 nan 8.270 nan 0.000 0.475 919 T N -0.412 114.249 114.554 0.177 0.000 2.899 919 T HA 0.600 4.949 4.350 -0.003 0.000 0.295 919 T C 0.120 174.997 174.700 0.296 0.000 1.033 919 T CA -0.352 61.870 62.100 0.204 0.000 1.084 919 T CB 0.347 69.270 68.868 0.091 0.000 0.979 919 T HN 0.502 nan 8.240 nan 0.000 0.532 920 F N -1.523 118.455 119.950 0.046 0.000 2.711 920 F HA 0.834 5.360 4.527 -0.002 0.000 0.313 920 F C -0.440 175.380 175.800 0.034 0.000 1.141 920 F CA -1.174 56.849 58.000 0.037 0.000 0.941 920 F CB 1.133 40.159 39.000 0.044 0.000 1.349 920 F HN 0.954 nan 8.300 nan 0.000 0.464 921 G N 0.909 109.657 108.800 -0.087 0.000 2.694 921 G HA2 0.640 4.599 3.960 -0.003 0.000 0.290 921 G HA3 0.640 4.599 3.960 -0.003 0.000 0.290 921 G C -2.088 172.829 174.900 0.029 0.000 1.386 921 G CA -1.224 43.731 45.100 -0.241 0.000 0.872 921 G HN 0.829 nan 8.290 nan 0.000 0.475 922 L N 0.176 121.404 121.223 0.008 0.000 2.379 922 L HA 0.766 5.104 4.340 -0.003 0.000 0.269 922 L C 0.472 177.274 176.870 -0.113 0.000 1.084 922 L CA -0.707 54.154 54.840 0.035 0.000 0.802 922 L CB 1.677 43.800 42.059 0.107 0.000 1.175 922 L HN 0.719 nan 8.230 nan 0.000 0.448 923 A N 2.851 125.591 122.820 -0.135 0.000 2.572 923 A HA 0.733 5.051 4.320 -0.003 0.000 0.295 923 A C -1.318 176.113 177.584 -0.256 0.000 1.072 923 A CA -0.530 51.351 52.037 -0.260 0.000 0.691 923 A CB 1.486 20.393 19.000 -0.155 0.000 1.291 923 A HN 0.603 nan 8.150 nan 0.000 0.404 924 L N 2.005 122.974 121.223 -0.424 0.000 2.265 924 L HA 0.600 4.938 4.340 -0.003 0.000 0.289 924 L C -0.992 175.824 176.870 -0.092 0.000 1.033 924 L CA -0.079 54.620 54.840 -0.235 0.000 0.814 924 L CB 0.897 42.796 42.059 -0.267 0.000 1.203 924 L HN 0.582 nan 8.230 nan 0.000 0.423 925 I N 3.381 123.932 120.570 -0.033 0.000 2.569 925 I HA 0.246 4.415 4.170 -0.003 0.000 0.290 925 I C -0.263 175.810 176.117 -0.074 0.000 1.088 925 I CA -0.886 60.400 61.300 -0.025 0.000 1.047 925 I CB 2.129 40.114 38.000 -0.025 0.000 1.237 925 I HN 0.437 nan 8.210 nan 0.000 0.421 926 K N 4.425 124.787 120.400 -0.062 0.000 2.437 926 K HA -0.083 4.236 4.320 -0.003 0.000 0.277 926 K C 0.601 177.066 176.600 -0.225 0.000 1.073 926 K CA 0.555 56.770 56.287 -0.119 0.000 1.105 926 K CB -0.127 32.341 32.500 -0.054 0.000 0.881 926 K HN 0.605 nan 8.250 nan 0.000 0.475 927 N N 1.769 120.173 118.700 -0.493 0.000 2.714 927 N HA -0.180 4.558 4.740 -0.003 0.000 0.250 927 N C 0.885 176.188 175.510 -0.345 0.000 1.117 927 N CA 0.996 53.700 53.050 -0.577 0.000 0.719 927 N CB -1.091 37.279 38.487 -0.195 0.000 1.081 927 N HN 0.815 nan 8.380 nan 0.000 0.557 928 G N -0.159 108.459 108.800 -0.304 0.000 2.469 928 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.220 928 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.220 928 G C 1.474 176.452 174.900 0.130 0.000 1.136 928 G CA 1.117 46.213 45.100 -0.006 0.000 0.759 928 G HN 0.542 nan 8.290 nan 0.000 0.562 929 R N 0.077 120.795 120.500 0.363 0.000 2.152 929 R HA -0.021 4.318 4.340 -0.003 0.000 0.232 929 R C 1.048 177.431 176.300 0.139 0.000 1.117 929 R CA 1.018 57.259 56.100 0.234 0.000 0.981 929 R CB -0.065 30.351 30.300 0.194 0.000 0.870 929 R HN 0.270 nan 8.270 nan 0.000 0.451 930 N N 0.429 119.210 118.700 0.135 0.000 2.279 930 N HA 0.058 4.796 4.740 -0.003 0.000 0.226 930 N C 0.115 175.651 175.510 0.042 0.000 1.126 930 N CA 0.278 53.373 53.050 0.076 0.000 0.846 930 N CB 0.790 39.323 38.487 0.077 0.000 1.050 930 N HN 0.159 nan 8.380 nan 0.000 0.502 931 R N 0.139 120.662 120.500 0.039 0.000 2.590 931 R HA 0.287 4.625 4.340 -0.003 0.000 0.410 931 R C -0.183 176.130 176.300 0.023 0.000 1.010 931 R CA -0.432 55.681 56.100 0.022 0.000 1.155 931 R CB 0.897 31.201 30.300 0.008 0.000 1.455 931 R HN -0.022 nan 8.270 nan 0.000 0.567 932 I N 1.204 121.790 120.570 0.028 0.000 2.741 932 I HA -0.019 4.149 4.170 -0.003 0.000 0.288 932 I C 1.497 177.623 176.117 0.016 0.000 1.192 932 I CA 1.402 62.715 61.300 0.022 0.000 1.426 932 I CB -0.149 37.864 38.000 0.021 0.000 1.367 932 I HN 0.642 nan 8.210 nan 0.000 0.563 933 G N 4.929 113.737 108.800 0.014 0.000 2.254 933 G HA2 -0.235 3.724 3.960 -0.003 0.000 0.225 933 G HA3 -0.235 3.724 3.960 -0.003 0.000 0.225 933 G C 0.369 175.276 174.900 0.012 0.000 1.003 933 G CA 0.113 45.220 45.100 0.012 0.000 0.622 933 G HN 0.652 nan 8.290 nan 0.000 0.507 934 E N 0.811 121.019 120.200 0.012 0.000 2.414 934 E HA 0.377 4.725 4.350 -0.003 0.000 0.263 934 E C 0.114 176.721 176.600 0.012 0.000 1.000 934 E CA -0.186 56.220 56.400 0.011 0.000 0.914 934 E CB 0.684 30.390 29.700 0.010 0.000 0.948 934 E HN 0.165 nan 8.360 nan 0.000 0.444 935 V N 6.485 126.406 119.914 0.011 0.000 2.406 935 V HA 0.240 4.358 4.120 -0.003 0.000 0.272 935 V C 0.340 176.441 176.094 0.012 0.000 1.043 935 V CA -0.301 62.006 62.300 0.012 0.000 0.915 935 V CB 0.777 32.607 31.823 0.011 0.000 0.988 935 V HN 0.582 nan 8.190 nan 0.000 0.466 936 L N 4.656 125.887 121.223 0.013 0.000 2.331 936 L HA 0.669 5.007 4.340 -0.003 0.000 0.268 936 L C -0.081 176.798 176.870 0.014 0.000 1.015 936 L CA -0.927 53.921 54.840 0.014 0.000 0.807 936 L CB 1.931 43.999 42.059 0.015 0.000 1.293 936 L HN 0.502 nan 8.230 nan 0.000 0.451 937 K N -0.306 120.103 120.400 0.015 0.000 2.340 937 K HA 0.695 5.013 4.320 -0.003 0.000 0.244 937 K C -1.048 175.563 176.600 0.018 0.000 0.973 937 K CA -0.580 55.716 56.287 0.015 0.000 0.828 937 K CB 2.262 34.770 32.500 0.013 0.000 1.226 937 K HN 0.486 nan 8.250 nan 0.000 0.437 938 T N 1.813 116.377 114.554 0.017 0.000 3.012 938 T HA 0.411 4.759 4.350 -0.003 0.000 0.330 938 T C -2.986 171.723 174.700 0.015 0.000 1.321 938 T CA -1.789 60.323 62.100 0.019 0.000 1.067 938 T CB 1.438 70.319 68.868 0.021 0.000 1.235 938 T HN 0.228 nan 8.240 nan 0.000 0.479 939 P HA 0.550 nan 4.420 nan 0.000 0.286 939 P C -1.282 176.025 177.300 0.011 0.000 1.269 939 P CA -0.418 62.689 63.100 0.012 0.000 0.787 939 P CB 1.067 32.773 31.700 0.012 0.000 0.920 940 V N 3.216 123.135 119.914 0.009 0.000 2.668 940 V HA 0.194 4.312 4.120 -0.003 0.000 0.304 940 V C -0.356 175.742 176.094 0.007 0.000 1.071 940 V CA -0.653 61.652 62.300 0.007 0.000 0.894 940 V CB 1.623 33.450 31.823 0.006 0.000 1.008 940 V HN 0.559 nan 8.190 nan 0.000 0.425 941 D N 3.952 124.356 120.400 0.006 0.000 2.692 941 D HA -0.197 4.442 4.640 -0.003 0.000 0.233 941 D C 1.324 177.628 176.300 0.005 0.000 1.172 941 D CA 1.933 55.937 54.000 0.006 0.000 0.636 941 D CB -1.059 39.744 40.800 0.005 0.000 1.028 941 D HN 1.547 nan 8.370 nan 0.000 0.419 942 G N -0.879 107.924 108.800 0.006 0.000 2.225 942 G HA2 -0.327 3.632 3.960 -0.003 0.000 0.254 942 G HA3 -0.327 3.632 3.960 -0.003 0.000 0.254 942 G C 0.179 175.082 174.900 0.005 0.000 0.988 942 G CA 0.484 45.587 45.100 0.005 0.000 0.625 942 G HN 0.523 nan 8.290 nan 0.000 0.527 943 Q N -0.472 119.331 119.800 0.006 0.000 2.394 943 Q HA 0.676 5.014 4.340 -0.003 0.000 0.273 943 Q C -0.218 175.786 176.000 0.007 0.000 1.089 943 Q CA -0.957 54.849 55.803 0.006 0.000 0.812 943 Q CB 2.235 30.977 28.738 0.006 0.000 1.353 943 Q HN 0.272 nan 8.270 nan 0.000 0.438 944 L N 2.153 123.381 121.223 0.008 0.000 2.410 944 L HA 0.259 4.597 4.340 -0.003 0.000 0.273 944 L C -0.508 176.367 176.870 0.009 0.000 1.144 944 L CA -0.277 54.569 54.840 0.009 0.000 0.863 944 L CB 0.394 42.458 42.059 0.009 0.000 1.140 944 L HN 0.279 nan 8.230 nan 0.000 0.463 945 V N 1.992 121.912 119.914 0.010 0.000 2.864 945 V HA 0.329 4.447 4.120 -0.003 0.000 0.314 945 V C -0.561 175.540 176.094 0.011 0.000 1.073 945 V CA -0.980 61.326 62.300 0.010 0.000 0.956 945 V CB 2.269 34.098 31.823 0.009 0.000 1.023 945 V HN 0.556 nan 8.190 nan 0.000 0.435 946 D N 2.386 122.793 120.400 0.012 0.000 2.264 946 D HA 0.473 5.112 4.640 -0.003 0.000 0.250 946 D C -0.209 176.101 176.300 0.016 0.000 1.113 946 D CA 0.147 54.155 54.000 0.013 0.000 0.871 946 D CB 1.757 42.565 40.800 0.012 0.000 1.167 946 D HN 0.528 nan 8.370 nan 0.000 0.447 947 V N 0.173 120.097 119.914 0.017 0.000 2.823 947 V HA 0.535 4.653 4.120 -0.003 0.000 0.312 947 V C -0.773 175.333 176.094 0.021 0.000 1.072 947 V CA -0.938 61.374 62.300 0.020 0.000 0.937 947 V CB 2.040 33.874 31.823 0.018 0.000 1.013 947 V HN 0.441 nan 8.190 nan 0.000 0.430 948 Q N 2.722 122.538 119.800 0.025 0.000 2.293 948 Q HA 0.618 4.957 4.340 -0.003 0.000 0.261 948 Q C -0.968 175.048 176.000 0.027 0.000 0.960 948 Q CA -0.776 55.041 55.803 0.023 0.000 0.882 948 Q CB 2.047 30.798 28.738 0.022 0.000 1.275 948 Q HN 0.880 nan 8.270 nan 0.000 0.445 949 V N 3.176 123.104 119.914 0.022 0.000 2.540 949 V HA 0.164 4.282 4.120 -0.003 0.000 0.297 949 V C 0.261 176.371 176.094 0.026 0.000 1.024 949 V CA 0.359 62.674 62.300 0.024 0.000 1.105 949 V CB 0.757 32.592 31.823 0.020 0.000 0.938 949 V HN 0.769 nan 8.190 nan 0.000 0.482 950 S N 2.382 118.101 115.700 0.032 0.000 2.720 950 S HA 0.406 4.874 4.470 -0.003 0.000 0.287 950 S C -1.055 173.561 174.600 0.026 0.000 1.168 950 S CA -0.909 57.306 58.200 0.026 0.000 0.832 950 S CB 1.664 64.880 63.200 0.026 0.000 1.166 950 S HN 0.811 nan 8.310 nan 0.000 0.493 951 D N 1.863 122.270 120.400 0.011 0.000 2.372 951 D HA 0.093 4.731 4.640 -0.003 0.000 0.243 951 D C 1.188 177.494 176.300 0.009 0.000 1.121 951 D CA -0.258 53.746 54.000 0.007 0.000 0.898 951 D CB 0.981 41.773 40.800 -0.014 0.000 1.202 951 D HN 0.340 nan 8.370 nan 0.000 0.428 952 L N 2.855 124.089 121.223 0.019 0.000 2.012 952 L HA -0.146 4.192 4.340 -0.003 0.000 0.210 952 L C 0.569 177.429 176.870 -0.016 0.000 1.073 952 L CA 1.684 56.539 54.840 0.025 0.000 0.748 952 L CB 0.023 42.109 42.059 0.045 0.000 0.891 952 L HN 0.215 nan 8.230 nan 0.000 0.431 953 V N 1.690 121.576 119.914 -0.047 0.000 2.353 953 V HA 0.081 4.200 4.120 -0.003 0.000 0.264 953 V C 1.196 177.220 176.094 -0.117 0.000 1.049 953 V CA -0.015 62.219 62.300 -0.110 0.000 0.896 953 V CB 0.852 32.602 31.823 -0.121 0.000 1.025 953 V HN 0.331 nan 8.190 nan 0.000 0.475 954 L N 3.908 125.044 121.223 -0.145 0.000 2.298 954 L HA 0.300 4.639 4.340 -0.003 0.000 0.209 954 L C 0.656 177.461 176.870 -0.108 0.000 1.084 954 L CA 0.758 55.510 54.840 -0.147 0.000 0.816 954 L CB 0.149 42.067 42.059 -0.235 0.000 0.967 954 L HN 0.514 nan 8.230 nan 0.000 0.460 955 F N 1.197 120.974 119.950 -0.288 0.000 2.427 955 F HA 0.253 4.779 4.527 -0.002 0.000 0.346 955 F C 0.357 176.024 175.800 -0.222 0.000 1.120 955 F CA -1.262 56.583 58.000 -0.259 0.000 1.033 955 F CB 0.549 39.371 39.000 -0.296 0.000 1.126 955 F HN -0.001 nan 8.300 nan 0.000 0.462 956 D N 6.131 125.953 120.400 -0.964 0.000 2.697 956 D HA -0.168 4.470 4.640 -0.003 0.000 0.235 956 D C -1.709 174.342 176.300 -0.415 0.000 1.167 956 D CA 0.634 54.164 54.000 -0.783 0.000 0.656 956 D CB -0.151 40.032 40.800 -1.029 0.000 1.025 956 D HN 0.390 nan 8.370 nan 0.000 0.419 957 P HA -0.168 nan 4.420 nan 0.000 0.220 957 P C 1.005 178.187 177.300 -0.195 0.000 1.144 957 P CA 1.033 64.005 63.100 -0.213 0.000 0.800 957 P CB 0.248 31.850 31.700 -0.164 0.000 0.772 958 E N -1.044 119.032 120.200 -0.207 0.000 2.435 958 E HA 0.105 4.453 4.350 -0.003 0.000 0.195 958 E C 1.549 178.031 176.600 -0.198 0.000 1.029 958 E CA 0.779 57.071 56.400 -0.181 0.000 0.865 958 E CB -0.760 28.843 29.700 -0.161 0.000 0.833 958 E HN 0.300 nan 8.360 nan 0.000 0.510 959 G N 2.004 110.665 108.800 -0.232 0.000 2.182 959 G HA2 -0.332 3.627 3.960 -0.003 0.000 0.248 959 G HA3 -0.332 3.627 3.960 -0.003 0.000 0.248 959 G C 1.081 175.844 174.900 -0.227 0.000 1.042 959 G CA 0.854 45.811 45.100 -0.238 0.000 0.775 959 G HN 0.367 nan 8.290 nan 0.000 0.501 960 S N -0.521 115.046 115.700 -0.222 0.000 2.419 960 S HA -0.100 4.368 4.470 -0.003 0.000 0.235 960 S C 1.939 176.439 174.600 -0.167 0.000 1.019 960 S CA 1.523 59.612 58.200 -0.184 0.000 0.982 960 S CB -0.175 62.917 63.200 -0.181 0.000 0.789 960 S HN 0.664 nan 8.310 nan 0.000 0.490 961 R N 0.365 120.758 120.500 -0.178 0.000 2.317 961 R HA 0.302 4.640 4.340 -0.003 0.000 0.208 961 R C 2.323 178.547 176.300 -0.125 0.000 0.914 961 R CA -0.020 56.005 56.100 -0.124 0.000 1.060 961 R CB -0.164 30.089 30.300 -0.080 0.000 1.015 961 R HN 0.436 nan 8.270 nan 0.000 0.498 962 R N 1.103 121.490 120.500 -0.188 0.000 2.117 962 R HA -0.111 4.227 4.340 -0.003 0.000 0.243 962 R C -0.118 176.065 176.300 -0.196 0.000 1.143 962 R CA 1.498 57.440 56.100 -0.264 0.000 0.968 962 R CB 0.162 30.193 30.300 -0.449 0.000 0.863 962 R HN 0.121 nan 8.270 nan 0.000 0.444 963 D N 0.000 120.316 120.400 -0.140 0.000 6.856 963 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 963 D CA 0.000 53.950 54.000 -0.083 0.000 0.868 963 D CB 0.000 40.761 40.800 -0.065 0.000 0.688 963 D HN 0.000 nan 8.370 nan 0.000 0.683