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 3gde_1_A DATA FIRST_RESID -2 DATA SEQUENCE GSHMLFAEFA EFCERLEKIS STLELTARIA AFLQKIEDER DLYDVVLFIT DATA SEQUENCE GKVYPPWDER ELGVGIGLLY EALENVSGVK RSEIESMIRE YGDLGLVAEQ DATA SEQUENCE LIKKKKMTTL AFEELTVRKV RETFDEIASL TGEGSMKRKI MLLTGLYGLA DATA SEQUENCE TPLEARYLTR LILNEMRLGV GEGIMRDAIA RAFRADPETV ERAYMITNDL DATA SEQUENCE GRVAVVAKKE GEEGLRKMKI EIHIPVRMML AQVAESLESA VREMRTAAVE DATA SEQUENCE WKFDGSRVQV HWDGSRVTIY SRRLENVTNA LPDIVEEIKK SVKPGVILDG DATA SEQUENCE EVIAVKEGKP MPFQHVLRRF RRXXDVAKMV EKIPLEAHFF DILYHDGECI DATA SEQUENCE DLPLRERRKL LESAVNESEK IKLAKQIVTD SVDEVRKMYD EAISAGHEGV DATA SEQUENCE MIKLPSSPYI PGKRGKNWLK VKAIMETLDL VVVGGEWGEG KRSHWLSSFE DATA SEQUENCE LACLDPVTGK LLKVGRVATG FTEEDLEELT EMFRPLIVSQ QGKKVEFIPK DATA SEQUENCE YVFEVAYQEI QKSPKYESGY ALRFPRFVRL RDDKDVDEAD TIERVENLYK DATA SEQUENCE LQF 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 -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 -2 G C 0.000 174.875 174.900 -0.041 0.000 0.946 -2 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 -1 S N -0.706 114.927 115.700 -0.113 0.000 2.470 -1 S HA 0.117 4.588 4.470 0.002 0.000 0.225 -1 S C 0.719 175.228 174.600 -0.151 0.000 1.006 -1 S CA 0.462 58.566 58.200 -0.161 0.000 0.934 -1 S CB -0.329 62.729 63.200 -0.238 0.000 0.778 -1 S HN 0.546 nan 8.310 nan 0.000 0.517 0 H N 1.514 120.581 119.070 -0.005 0.000 2.764 0 H HA 0.206 4.763 4.556 0.002 0.000 0.341 0 H C 0.209 175.545 175.328 0.014 0.000 1.072 0 H CA -0.079 55.970 56.048 0.002 0.000 1.444 0 H CB 0.402 30.170 29.762 0.010 0.000 1.458 0 H HN 0.349 nan 8.280 nan 0.000 0.572 1 M N 4.125 123.811 119.600 0.143 0.000 2.269 1 M HA -0.029 4.452 4.480 0.002 0.000 0.350 1 M C -0.739 175.651 176.300 0.149 0.000 1.429 1 M CA -0.367 54.998 55.300 0.109 0.000 1.063 1 M CB 0.176 32.825 32.600 0.082 0.000 1.841 1 M HN 0.247 nan 8.290 nan 0.000 0.455 2 L N 5.890 127.203 121.223 0.151 0.000 2.380 2 L HA 0.042 4.383 4.340 0.002 0.000 0.273 2 L C 0.787 177.815 176.870 0.263 0.000 1.138 2 L CA 0.616 55.570 54.840 0.190 0.000 0.832 2 L CB -0.052 42.102 42.059 0.158 0.000 1.124 2 L HN 0.848 nan 8.230 nan 0.000 0.454 3 F N 2.988 123.037 119.950 0.165 0.000 2.192 3 F HA -0.279 4.248 4.527 0.001 0.000 0.301 3 F C 2.165 178.145 175.800 0.300 0.000 1.079 3 F CA 1.784 59.936 58.000 0.254 0.000 1.303 3 F CB 0.281 39.390 39.000 0.183 0.000 1.024 3 F HN 0.668 nan 8.300 nan 0.000 0.494 4 A N -0.328 122.684 122.820 0.319 0.000 1.978 4 A HA -0.265 4.056 4.320 0.002 0.000 0.220 4 A C 2.190 179.850 177.584 0.126 0.000 1.170 4 A CA 1.864 54.024 52.037 0.204 0.000 0.636 4 A CB -0.894 18.217 19.000 0.185 0.000 0.810 4 A HN 0.604 nan 8.150 nan 0.000 0.448 5 E N -1.212 119.083 120.200 0.158 0.000 2.047 5 E HA -0.190 4.161 4.350 0.002 0.000 0.191 5 E C 1.785 178.499 176.600 0.190 0.000 0.987 5 E CA 1.285 57.790 56.400 0.176 0.000 0.799 5 E CB -0.295 29.525 29.700 0.200 0.000 0.752 5 E HN 0.598 nan 8.360 nan 0.000 0.449 6 F N 1.429 121.386 119.950 0.013 0.000 2.126 6 F HA -0.151 4.377 4.527 0.002 0.000 0.299 6 F C 2.028 177.637 175.800 -0.319 0.000 1.096 6 F CA 1.759 59.668 58.000 -0.151 0.000 1.255 6 F CB -0.629 38.212 39.000 -0.264 0.000 0.997 6 F HN 0.093 nan 8.300 nan 0.000 0.479 7 A N 0.582 123.095 122.820 -0.511 0.000 1.877 7 A HA -0.180 4.141 4.320 0.002 0.000 0.216 7 A C 2.144 179.517 177.584 -0.352 0.000 1.186 7 A CA 1.803 53.538 52.037 -0.502 0.000 0.620 7 A CB -0.830 18.186 19.000 0.027 0.000 0.822 7 A HN 0.542 nan 8.150 nan 0.000 0.443 8 E N -0.951 119.163 120.200 -0.145 0.000 2.110 8 E HA -0.188 4.163 4.350 0.002 0.000 0.193 8 E C 1.808 178.317 176.600 -0.153 0.000 0.988 8 E CA 1.205 57.558 56.400 -0.079 0.000 0.804 8 E CB -0.501 29.206 29.700 0.012 0.000 0.745 8 E HN 0.695 nan 8.360 nan 0.000 0.458 9 F N 1.841 121.562 119.950 -0.382 0.000 2.126 9 F HA -0.228 4.300 4.527 0.001 0.000 0.299 9 F C 2.311 177.763 175.800 -0.579 0.000 1.096 9 F CA 1.062 58.756 58.000 -0.511 0.000 1.255 9 F CB -0.527 37.932 39.000 -0.902 0.000 0.997 9 F HN -0.022 nan 8.300 nan 0.000 0.479 10 C N 0.569 119.274 119.300 -0.992 0.000 2.446 10 C HA -0.148 4.313 4.460 0.002 0.000 0.277 10 C C 2.792 177.369 174.990 -0.689 0.000 1.275 10 C CA 1.161 59.508 59.018 -1.117 0.000 1.727 10 C CB -1.115 25.621 27.740 -1.673 0.000 2.010 10 C HN 0.558 nan 8.230 nan 0.000 0.486 11 E N 0.931 120.872 120.200 -0.431 0.000 2.085 11 E HA -0.228 4.122 4.350 0.002 0.000 0.194 11 E C 2.258 178.764 176.600 -0.156 0.000 0.994 11 E CA 1.331 57.678 56.400 -0.089 0.000 0.801 11 E CB -0.185 29.529 29.700 0.024 0.000 0.743 11 E HN 0.578 nan 8.360 nan 0.000 0.453 12 R N -0.133 120.223 120.500 -0.240 0.000 2.148 12 R HA -0.018 4.323 4.340 0.002 0.000 0.227 12 R C 2.524 178.673 176.300 -0.253 0.000 1.103 12 R CA 0.671 56.647 56.100 -0.206 0.000 0.983 12 R CB -0.091 30.104 30.300 -0.175 0.000 0.874 12 R HN 0.226 nan 8.270 nan 0.000 0.451 13 L N 0.476 121.458 121.223 -0.401 0.000 2.291 13 L HA -0.111 4.230 4.340 0.002 0.000 0.214 13 L C 1.902 178.646 176.870 -0.210 0.000 1.120 13 L CA 1.004 55.627 54.840 -0.362 0.000 0.799 13 L CB -0.323 41.419 42.059 -0.530 0.000 0.925 13 L HN 0.243 nan 8.230 nan 0.000 0.446 14 E N 0.430 120.533 120.200 -0.163 0.000 2.153 14 E HA -0.251 4.100 4.350 0.002 0.000 0.194 14 E C 2.038 178.600 176.600 -0.063 0.000 0.988 14 E CA 0.863 57.215 56.400 -0.081 0.000 0.811 14 E CB -0.068 29.614 29.700 -0.029 0.000 0.746 14 E HN 0.324 nan 8.360 nan 0.000 0.466 15 K N 1.484 121.841 120.400 -0.071 0.000 2.288 15 K HA -0.050 4.271 4.320 0.002 0.000 0.201 15 K C 0.573 177.143 176.600 -0.052 0.000 1.048 15 K CA 0.323 56.579 56.287 -0.052 0.000 0.956 15 K CB 0.093 32.564 32.500 -0.049 0.000 0.746 15 K HN 0.062 nan 8.250 nan 0.000 0.461 16 I N 2.397 122.925 120.570 -0.070 0.000 2.325 16 I HA -0.029 4.142 4.170 0.002 0.000 0.291 16 I C 1.234 177.320 176.117 -0.050 0.000 1.019 16 I CA -0.299 60.964 61.300 -0.061 0.000 1.302 16 I CB 1.757 39.710 38.000 -0.078 0.000 1.401 16 I HN 0.080 nan 8.210 nan 0.000 0.485 17 S N 2.346 118.025 115.700 -0.035 0.000 2.497 17 S HA 0.040 4.511 4.470 0.002 0.000 0.218 17 S C 0.965 175.553 174.600 -0.021 0.000 1.023 17 S CA -0.289 57.895 58.200 -0.026 0.000 0.913 17 S CB 0.221 63.410 63.200 -0.019 0.000 0.800 17 S HN 0.570 nan 8.310 nan 0.000 0.505 18 S N 1.619 117.306 115.700 -0.021 0.000 2.510 18 S HA 0.230 4.701 4.470 0.002 0.000 0.279 18 S C 1.082 175.673 174.600 -0.015 0.000 1.284 18 S CA -0.145 58.046 58.200 -0.015 0.000 1.059 18 S CB 0.374 63.567 63.200 -0.013 0.000 0.901 18 S HN 0.418 nan 8.310 nan 0.000 0.491 19 T N 6.178 120.727 114.554 -0.009 0.000 2.746 19 T HA -0.072 4.279 4.350 0.002 0.000 0.267 19 T C 1.714 176.411 174.700 -0.004 0.000 1.039 19 T CA 1.476 63.572 62.100 -0.006 0.000 1.142 19 T CB -0.263 68.606 68.868 0.001 0.000 0.866 19 T HN 0.614 nan 8.240 nan 0.000 0.444 20 L N 0.464 121.685 121.223 -0.003 0.000 2.056 20 L HA -0.059 4.282 4.340 0.002 0.000 0.207 20 L C 2.767 179.636 176.870 -0.002 0.000 1.078 20 L CA 1.353 56.192 54.840 -0.001 0.000 0.749 20 L CB -0.457 41.602 42.059 -0.000 0.000 0.901 20 L HN 0.306 nan 8.230 nan 0.000 0.433 21 E N 0.106 120.303 120.200 -0.006 0.000 2.077 21 E HA -0.231 4.120 4.350 0.002 0.000 0.193 21 E C 2.342 178.937 176.600 -0.009 0.000 0.989 21 E CA 1.127 57.523 56.400 -0.008 0.000 0.800 21 E CB -0.128 29.564 29.700 -0.014 0.000 0.746 21 E HN 0.434 nan 8.360 nan 0.000 0.452 22 L N 0.579 121.790 121.223 -0.020 0.000 2.012 22 L HA -0.210 4.131 4.340 0.002 0.000 0.210 22 L C 2.652 179.524 176.870 0.003 0.000 1.073 22 L CA 1.399 56.222 54.840 -0.028 0.000 0.748 22 L CB -0.680 41.355 42.059 -0.040 0.000 0.891 22 L HN 0.167 nan 8.230 nan 0.000 0.431 23 T N -0.162 114.395 114.554 0.006 0.000 2.665 23 T HA -0.256 4.095 4.350 0.002 0.000 0.268 23 T C 1.924 176.636 174.700 0.021 0.000 1.035 23 T CA 1.593 63.701 62.100 0.014 0.000 1.151 23 T CB -0.298 68.574 68.868 0.006 0.000 0.862 23 T HN 0.485 nan 8.240 nan 0.000 0.438 24 A N 1.617 124.447 122.820 0.017 0.000 1.897 24 A HA -0.044 4.277 4.320 0.002 0.000 0.215 24 A C 2.408 180.021 177.584 0.048 0.000 1.181 24 A CA 0.860 52.907 52.037 0.017 0.000 0.620 24 A CB -0.313 18.692 19.000 0.009 0.000 0.821 24 A HN 0.205 nan 8.150 nan 0.000 0.443 25 R N -0.092 120.453 120.500 0.074 0.000 2.083 25 R HA -0.098 4.243 4.340 0.002 0.000 0.237 25 R C 1.980 178.452 176.300 0.286 0.000 1.137 25 R CA 1.641 57.838 56.100 0.162 0.000 0.951 25 R CB -0.913 29.459 30.300 0.121 0.000 0.851 25 R HN 0.649 nan 8.270 nan 0.000 0.434 26 I N 0.546 121.269 120.570 0.255 0.000 2.252 26 I HA -0.212 3.959 4.170 0.002 0.000 0.245 26 I C 2.589 178.787 176.117 0.136 0.000 1.102 26 I CA 1.136 62.623 61.300 0.311 0.000 1.385 26 I CB -0.472 37.653 38.000 0.208 0.000 1.064 26 I HN 0.087 nan 8.210 nan 0.000 0.414 27 A N 1.013 123.856 122.820 0.039 0.000 1.883 27 A HA -0.229 4.092 4.320 0.002 0.000 0.217 27 A C 2.582 180.100 177.584 -0.110 0.000 1.186 27 A CA 2.095 54.084 52.037 -0.080 0.000 0.624 27 A CB -0.990 17.954 19.000 -0.092 0.000 0.822 27 A HN 0.425 nan 8.150 nan 0.000 0.444 28 A N -1.283 121.515 122.820 -0.036 0.000 1.892 28 A HA -0.134 4.187 4.320 0.002 0.000 0.218 28 A C 2.089 179.631 177.584 -0.071 0.000 1.188 28 A CA 1.834 53.844 52.037 -0.044 0.000 0.631 28 A CB -0.811 18.198 19.000 0.015 0.000 0.822 28 A HN 0.664 nan 8.150 nan 0.000 0.447 29 F N -0.043 119.762 119.950 -0.242 0.000 2.102 29 F HA -0.158 4.370 4.527 0.001 0.000 0.298 29 F C 1.904 177.532 175.800 -0.287 0.000 1.105 29 F CA 1.629 59.377 58.000 -0.421 0.000 1.239 29 F CB -0.259 38.132 39.000 -1.015 0.000 0.991 29 F HN 0.143 nan 8.300 nan 0.000 0.474 30 L N 0.427 121.596 121.223 -0.090 0.000 2.079 30 L HA -0.242 4.099 4.340 0.002 0.000 0.210 30 L C 2.403 179.187 176.870 -0.144 0.000 1.081 30 L CA 1.673 56.460 54.840 -0.088 0.000 0.752 30 L CB -1.429 40.603 42.059 -0.045 0.000 0.896 30 L HN 0.269 nan 8.230 nan 0.000 0.433 31 Q N -0.742 118.897 119.800 -0.268 0.000 2.234 31 Q HA -0.210 4.131 4.340 0.002 0.000 0.206 31 Q C 1.509 177.447 176.000 -0.104 0.000 0.980 31 Q CA 1.296 56.968 55.803 -0.218 0.000 0.869 31 Q CB 0.019 28.619 28.738 -0.230 0.000 0.912 31 Q HN 0.479 nan 8.270 nan 0.000 0.436 32 K N -0.194 120.091 120.400 -0.191 0.000 2.358 32 K HA 0.203 4.524 4.320 0.002 0.000 0.197 32 K C -0.187 176.286 176.600 -0.212 0.000 1.025 32 K CA -0.118 56.052 56.287 -0.195 0.000 1.104 32 K CB 0.697 33.051 32.500 -0.244 0.000 0.855 32 K HN 0.110 nan 8.250 nan 0.000 0.531 33 I N 1.802 122.252 120.570 -0.201 0.000 2.352 33 I HA 0.027 4.198 4.170 0.002 0.000 0.290 33 I C 1.102 177.182 176.117 -0.061 0.000 1.036 33 I CA -0.116 61.088 61.300 -0.160 0.000 1.336 33 I CB 1.075 38.979 38.000 -0.160 0.000 1.407 33 I HN 0.024 nan 8.210 nan 0.000 0.497 34 E N 2.950 123.111 120.200 -0.065 0.000 2.251 34 E HA -0.013 4.338 4.350 0.002 0.000 0.194 34 E C 0.315 176.893 176.600 -0.036 0.000 0.964 34 E CA 0.464 56.839 56.400 -0.041 0.000 0.868 34 E CB 0.194 29.866 29.700 -0.048 0.000 0.828 34 E HN 0.577 nan 8.360 nan 0.000 0.481 35 D N 1.995 122.374 120.400 -0.035 0.000 2.339 35 D HA -0.053 4.588 4.640 0.002 0.000 0.256 35 D C 1.054 177.346 176.300 -0.013 0.000 1.214 35 D CA 0.124 54.114 54.000 -0.017 0.000 0.877 35 D CB 0.961 41.767 40.800 0.010 0.000 1.111 35 D HN 0.171 nan 8.370 nan 0.000 0.478 36 E N 4.160 124.350 120.200 -0.017 0.000 2.274 36 E HA -0.195 4.156 4.350 0.002 0.000 0.194 36 E C 1.502 178.106 176.600 0.007 0.000 0.996 36 E CA 0.482 56.872 56.400 -0.016 0.000 0.840 36 E CB -0.022 29.659 29.700 -0.033 0.000 0.772 36 E HN 0.487 nan 8.360 nan 0.000 0.491 37 R N 0.673 121.169 120.500 -0.007 0.000 2.173 37 R HA 0.012 4.353 4.340 0.002 0.000 0.208 37 R C 0.903 177.198 176.300 -0.007 0.000 1.035 37 R CA 0.983 57.076 56.100 -0.012 0.000 1.004 37 R CB -0.150 30.117 30.300 -0.056 0.000 0.917 37 R HN 0.042 nan 8.270 nan 0.000 0.462 38 D N 1.665 122.057 120.400 -0.013 0.000 2.144 38 D HA -0.116 4.525 4.640 0.002 0.000 0.200 38 D C 1.911 178.173 176.300 -0.062 0.000 0.978 38 D CA 0.741 54.715 54.000 -0.043 0.000 0.833 38 D CB -0.099 40.693 40.800 -0.012 0.000 0.961 38 D HN 0.122 nan 8.370 nan 0.000 0.470 39 L N 0.022 121.234 121.223 -0.019 0.000 1.994 39 L HA -0.188 4.153 4.340 0.002 0.000 0.208 39 L C 2.249 179.113 176.870 -0.010 0.000 1.071 39 L CA 1.624 56.465 54.840 0.002 0.000 0.745 39 L CB -1.083 40.993 42.059 0.029 0.000 0.892 39 L HN 0.037 nan 8.230 nan 0.000 0.431 40 Y N 0.607 120.839 120.300 -0.113 0.000 2.081 40 Y HA -0.344 4.207 4.550 0.001 0.000 0.280 40 Y C 2.355 178.105 175.900 -0.249 0.000 1.163 40 Y CA 2.360 60.381 58.100 -0.131 0.000 1.135 40 Y CB -0.390 38.006 38.460 -0.108 0.000 0.970 40 Y HN 0.354 nan 8.280 nan 0.000 0.498 41 D N -0.642 119.648 120.400 -0.183 0.000 2.117 41 D HA -0.183 4.458 4.640 0.002 0.000 0.197 41 D C 2.401 178.135 176.300 -0.944 0.000 0.987 41 D CA 1.662 55.207 54.000 -0.758 0.000 0.829 41 D CB -0.496 39.815 40.800 -0.815 0.000 0.961 41 D HN 0.324 nan 8.370 nan 0.000 0.460 42 V N 0.675 120.285 119.914 -0.507 0.000 2.343 42 V HA -0.199 3.922 4.120 0.002 0.000 0.247 42 V C 2.631 178.643 176.094 -0.137 0.000 1.051 42 V CA 0.976 63.077 62.300 -0.332 0.000 1.036 42 V CB -0.313 31.496 31.823 -0.023 0.000 0.654 42 V HN 0.055 nan 8.190 nan 0.000 0.451 43 V N -0.645 119.183 119.914 -0.144 0.000 2.307 43 V HA -0.231 3.889 4.120 0.002 0.000 0.245 43 V C 2.325 178.355 176.094 -0.106 0.000 1.045 43 V CA 1.750 63.997 62.300 -0.089 0.000 1.024 43 V CB -0.497 31.257 31.823 -0.115 0.000 0.651 43 V HN 0.375 nan 8.190 nan 0.000 0.449 44 L N -0.975 120.110 121.223 -0.229 0.000 1.970 44 L HA -0.143 4.198 4.340 0.002 0.000 0.212 44 L C 2.325 179.289 176.870 0.156 0.000 1.071 44 L CA 2.120 56.900 54.840 -0.100 0.000 0.751 44 L CB -1.023 40.921 42.059 -0.191 0.000 0.889 44 L HN 0.195 nan 8.230 nan 0.000 0.432 45 F N -0.744 119.163 119.950 -0.072 0.000 2.120 45 F HA -0.249 4.278 4.527 0.001 0.000 0.300 45 F C 2.602 178.508 175.800 0.176 0.000 1.095 45 F CA 1.009 59.014 58.000 0.007 0.000 1.249 45 F CB -1.186 37.687 39.000 -0.212 0.000 0.995 45 F HN 0.083 nan 8.300 nan 0.000 0.480 46 I N 0.350 121.149 120.570 0.381 0.000 2.614 46 I HA -0.239 3.932 4.170 0.002 0.000 0.258 46 I C 1.978 178.208 176.117 0.189 0.000 1.189 46 I CA 1.647 63.153 61.300 0.344 0.000 1.462 46 I CB -0.249 37.932 38.000 0.302 0.000 1.092 46 I HN 0.215 nan 8.210 nan 0.000 0.442 47 T N -2.393 112.252 114.554 0.152 0.000 3.169 47 T HA 0.249 4.600 4.350 0.002 0.000 0.250 47 T C 1.385 176.151 174.700 0.111 0.000 1.111 47 T CA 0.290 62.452 62.100 0.103 0.000 1.010 47 T CB 0.007 68.915 68.868 0.066 0.000 0.984 47 T HN 0.546 nan 8.240 nan 0.000 0.537 48 G N 1.243 110.131 108.800 0.147 0.000 2.160 48 G HA2 -0.248 3.713 3.960 0.002 0.000 0.251 48 G HA3 -0.248 3.713 3.960 0.002 0.000 0.251 48 G C -0.178 174.772 174.900 0.083 0.000 1.008 48 G CA 0.147 45.318 45.100 0.117 0.000 0.724 48 G HN 0.659 nan 8.290 nan 0.000 0.514 49 K N -0.792 119.674 120.400 0.109 0.000 2.259 49 K HA 0.631 4.952 4.320 0.002 0.000 0.252 49 K C 0.915 177.574 176.600 0.098 0.000 0.936 49 K CA -0.749 55.583 56.287 0.075 0.000 0.810 49 K CB 2.473 35.018 32.500 0.075 0.000 1.143 49 K HN -0.019 nan 8.250 nan 0.000 0.427 50 V N 1.730 121.619 119.914 -0.043 0.000 2.922 50 V HA 0.099 4.220 4.120 0.002 0.000 0.242 50 V C -0.402 175.412 176.094 -0.466 0.000 1.094 50 V CA 0.533 62.717 62.300 -0.195 0.000 1.106 50 V CB 0.009 31.541 31.823 -0.486 0.000 0.799 50 V HN 0.589 nan 8.190 nan 0.000 0.474 51 Y N -0.750 119.579 120.300 0.048 0.000 2.545 51 Y HA 0.623 5.174 4.550 0.002 0.000 0.348 51 Y C -2.553 173.297 175.900 -0.084 0.000 1.002 51 Y CA -3.385 54.700 58.100 -0.024 0.000 1.039 51 Y CB 0.600 39.013 38.460 -0.078 0.000 1.271 51 Y HN -0.044 nan 8.280 nan 0.000 0.467 52 P HA 0.043 nan 4.420 nan 0.000 0.267 52 P C -1.942 175.220 177.300 -0.230 0.000 1.200 52 P CA -1.013 61.973 63.100 -0.190 0.000 0.772 52 P CB 0.500 31.853 31.700 -0.578 0.000 0.855 53 P HA -0.138 nan 4.420 nan 0.000 0.218 53 P C 1.197 178.544 177.300 0.079 0.000 1.149 53 P CA 1.589 64.719 63.100 0.049 0.000 0.817 53 P CB -0.315 31.470 31.700 0.142 0.000 0.785 54 W N 0.243 121.602 121.300 0.098 0.000 2.584 54 W HA 0.115 4.776 4.660 0.002 0.000 0.264 54 W C 0.178 176.801 176.519 0.174 0.000 1.264 54 W CA -0.166 57.268 57.345 0.148 0.000 1.306 54 W CB -1.546 27.899 29.460 -0.025 0.000 1.110 54 W HN -0.065 nan 8.180 nan 0.000 0.606 55 D N 2.557 122.631 120.400 -0.544 0.000 2.455 55 D HA -0.080 4.561 4.640 0.002 0.000 0.241 55 D C 1.182 177.380 176.300 -0.170 0.000 1.138 55 D CA 0.499 54.223 54.000 -0.460 0.000 0.877 55 D CB 1.223 41.674 40.800 -0.582 0.000 1.187 55 D HN 0.099 nan 8.370 nan 0.000 0.451 56 E N 2.695 122.829 120.200 -0.110 0.000 2.268 56 E HA -0.102 4.249 4.350 0.002 0.000 0.195 56 E C 0.310 176.797 176.600 -0.187 0.000 0.995 56 E CA 0.512 56.853 56.400 -0.098 0.000 0.836 56 E CB 0.245 29.906 29.700 -0.064 0.000 0.763 56 E HN 0.333 nan 8.360 nan 0.000 0.491 57 R N 1.499 121.799 120.500 -0.333 0.000 2.401 57 R HA 0.158 4.498 4.340 0.002 0.000 0.299 57 R C 0.087 176.060 176.300 -0.545 0.000 1.064 57 R CA 0.492 56.252 56.100 -0.567 0.000 1.000 57 R CB 0.571 30.252 30.300 -1.032 0.000 0.973 57 R HN 0.043 nan 8.270 nan 0.000 0.438 58 E N 2.322 122.324 120.200 -0.330 0.000 2.293 58 E HA 0.123 4.474 4.350 0.002 0.000 0.270 58 E C 0.597 177.165 176.600 -0.053 0.000 0.879 58 E CA -0.578 55.754 56.400 -0.114 0.000 0.756 58 E CB 2.020 31.685 29.700 -0.058 0.000 1.208 58 E HN 0.398 nan 8.360 nan 0.000 0.428 59 L N 1.549 122.807 121.223 0.058 0.000 2.012 59 L HA -0.104 4.237 4.340 0.002 0.000 0.210 59 L C 1.266 178.116 176.870 -0.033 0.000 1.073 59 L CA 1.653 56.491 54.840 -0.003 0.000 0.748 59 L CB -0.418 41.555 42.059 -0.144 0.000 0.891 59 L HN 1.015 nan 8.230 nan 0.000 0.431 60 G N -0.019 108.762 108.800 -0.032 0.000 2.246 60 G HA2 -0.237 3.724 3.960 0.002 0.000 0.273 60 G HA3 -0.237 3.724 3.960 0.002 0.000 0.273 60 G C -0.128 174.761 174.900 -0.018 0.000 1.055 60 G CA 0.204 45.292 45.100 -0.020 0.000 0.851 60 G HN 0.181 nan 8.290 nan 0.000 0.500 61 V N 0.688 120.579 119.914 -0.038 0.000 2.313 61 V HA 0.713 4.834 4.120 0.002 0.000 0.278 61 V C 1.105 177.186 176.094 -0.022 0.000 1.017 61 V CA -0.083 62.198 62.300 -0.031 0.000 0.823 61 V CB 1.245 33.030 31.823 -0.063 0.000 1.010 61 V HN 0.704 nan 8.190 nan 0.000 0.443 62 G N 2.566 111.371 108.800 0.008 0.000 2.504 62 G HA2 0.433 4.394 3.960 0.002 0.000 0.288 62 G HA3 0.433 4.394 3.960 0.002 0.000 0.288 62 G C 0.928 175.844 174.900 0.026 0.000 1.182 62 G CA -0.559 44.555 45.100 0.024 0.000 0.894 62 G HN 0.715 nan 8.290 nan 0.000 0.521 63 I N 0.736 121.324 120.570 0.030 0.000 2.315 63 I HA -0.162 4.009 4.170 0.002 0.000 0.251 63 I C 2.506 178.654 176.117 0.051 0.000 1.125 63 I CA 1.787 63.078 61.300 -0.015 0.000 1.392 63 I CB -0.070 37.935 38.000 0.009 0.000 1.065 63 I HN 0.593 nan 8.210 nan 0.000 0.424 64 G N 0.604 109.512 108.800 0.181 0.000 2.422 64 G HA2 -0.248 3.713 3.960 0.002 0.000 0.218 64 G HA3 -0.248 3.713 3.960 0.002 0.000 0.218 64 G C 1.441 176.450 174.900 0.182 0.000 1.146 64 G CA 0.596 45.850 45.100 0.256 0.000 0.769 64 G HN 0.313 nan 8.290 nan 0.000 0.547 65 L N -0.146 121.142 121.223 0.107 0.000 2.083 65 L HA 0.043 4.384 4.340 0.002 0.000 0.209 65 L C 2.695 179.619 176.870 0.090 0.000 1.083 65 L CA 0.771 55.664 54.840 0.088 0.000 0.752 65 L CB -0.681 41.414 42.059 0.060 0.000 0.899 65 L HN 0.086 nan 8.230 nan 0.000 0.433 66 L N -1.900 119.350 121.223 0.046 0.000 2.046 66 L HA -0.227 4.114 4.340 0.002 0.000 0.208 66 L C 2.374 179.231 176.870 -0.022 0.000 1.077 66 L CA 1.721 56.573 54.840 0.019 0.000 0.747 66 L CB -1.089 40.917 42.059 -0.088 0.000 0.896 66 L HN 0.228 nan 8.230 nan 0.000 0.432 67 Y N 0.051 120.372 120.300 0.036 0.000 2.097 67 Y HA -0.269 4.282 4.550 0.002 0.000 0.282 67 Y C 2.611 178.515 175.900 0.005 0.000 1.152 67 Y CA 1.320 59.426 58.100 0.010 0.000 1.136 67 Y CB -0.114 38.361 38.460 0.025 0.000 0.975 67 Y HN 0.237 nan 8.280 nan 0.000 0.498 68 E N -0.012 120.303 120.200 0.192 0.000 2.085 68 E HA -0.237 4.114 4.350 0.002 0.000 0.194 68 E C 2.404 179.057 176.600 0.088 0.000 0.994 68 E CA 1.127 57.597 56.400 0.117 0.000 0.801 68 E CB -0.533 29.227 29.700 0.100 0.000 0.743 68 E HN 0.510 nan 8.360 nan 0.000 0.453 69 A N 1.437 124.318 122.820 0.101 0.000 1.902 69 A HA -0.118 4.203 4.320 0.002 0.000 0.217 69 A C 2.388 179.989 177.584 0.029 0.000 1.181 69 A CA 0.995 53.104 52.037 0.121 0.000 0.623 69 A CB -0.700 18.453 19.000 0.255 0.000 0.818 69 A HN 0.146 nan 8.150 nan 0.000 0.443 70 L N -0.736 120.437 121.223 -0.084 0.000 2.083 70 L HA -0.184 4.157 4.340 0.002 0.000 0.209 70 L C 2.642 179.470 176.870 -0.070 0.000 1.083 70 L CA 1.337 56.053 54.840 -0.205 0.000 0.752 70 L CB -0.528 41.380 42.059 -0.252 0.000 0.899 70 L HN 0.473 nan 8.230 nan 0.000 0.433 71 E N 0.416 120.619 120.200 0.005 0.000 2.038 71 E HA -0.251 4.100 4.350 0.002 0.000 0.195 71 E C 1.889 178.496 176.600 0.012 0.000 1.000 71 E CA 1.782 58.194 56.400 0.020 0.000 0.803 71 E CB -0.238 29.487 29.700 0.042 0.000 0.750 71 E HN 0.609 nan 8.360 nan 0.000 0.448 72 N N 0.061 118.774 118.700 0.023 0.000 2.069 72 N HA -0.178 4.563 4.740 0.002 0.000 0.191 72 N C 2.123 177.644 175.510 0.019 0.000 1.031 72 N CA 1.726 54.793 53.050 0.027 0.000 0.852 72 N CB -0.064 38.449 38.487 0.044 0.000 1.018 72 N HN 0.086 nan 8.380 nan 0.000 0.423 73 V N -1.463 118.458 119.914 0.011 0.000 2.591 73 V HA -0.012 4.109 4.120 0.002 0.000 0.249 73 V C 2.067 178.157 176.094 -0.007 0.000 1.053 73 V CA 1.750 64.056 62.300 0.011 0.000 1.068 73 V CB -0.372 31.466 31.823 0.026 0.000 0.689 73 V HN 0.319 nan 8.190 nan 0.000 0.462 74 S N -0.320 115.365 115.700 -0.025 0.000 2.492 74 S HA 0.404 4.875 4.470 0.002 0.000 0.218 74 S C 1.937 176.532 174.600 -0.009 0.000 1.016 74 S CA 0.974 59.160 58.200 -0.024 0.000 0.916 74 S CB 0.411 63.585 63.200 -0.044 0.000 0.791 74 S HN 1.661 nan 8.310 nan 0.000 0.513 75 G N 1.146 109.944 108.800 -0.003 0.000 2.267 75 G HA2 -0.303 3.657 3.960 0.002 0.000 0.257 75 G HA3 -0.303 3.657 3.960 0.002 0.000 0.257 75 G C 0.350 175.252 174.900 0.003 0.000 0.998 75 G CA 0.412 45.514 45.100 0.002 0.000 0.620 75 G HN 1.650 nan 8.290 nan 0.000 0.529 76 V N 0.071 119.986 119.914 0.001 0.000 2.715 76 V HA 0.639 4.760 4.120 0.002 0.000 0.299 76 V C 0.659 176.758 176.094 0.009 0.000 1.054 76 V CA -0.935 61.368 62.300 0.006 0.000 1.077 76 V CB 1.193 33.020 31.823 0.008 0.000 0.972 76 V HN 0.245 nan 8.190 nan 0.000 0.484 77 K N 4.054 124.458 120.400 0.006 0.000 2.258 77 K HA 0.195 4.516 4.320 0.002 0.000 0.264 77 K C 1.122 177.719 176.600 -0.004 0.000 1.007 77 K CA -0.078 56.210 56.287 0.001 0.000 0.941 77 K CB 0.675 33.172 32.500 -0.004 0.000 0.966 77 K HN 0.854 nan 8.250 nan 0.000 0.480 78 R N 1.198 121.688 120.500 -0.017 0.000 2.105 78 R HA -0.189 4.152 4.340 0.002 0.000 0.239 78 R C 2.034 178.262 176.300 -0.120 0.000 1.135 78 R CA 2.234 58.297 56.100 -0.060 0.000 0.967 78 R CB -0.148 30.102 30.300 -0.084 0.000 0.861 78 R HN 0.773 nan 8.270 nan 0.000 0.442 79 S N -0.064 115.586 115.700 -0.084 0.000 2.383 79 S HA -0.231 4.240 4.470 0.002 0.000 0.229 79 S C 1.894 176.469 174.600 -0.042 0.000 1.030 79 S CA 1.558 59.714 58.200 -0.075 0.000 1.002 79 S CB -0.325 62.848 63.200 -0.046 0.000 0.829 79 S HN 0.554 nan 8.310 nan 0.000 0.467 80 E N 1.070 121.260 120.200 -0.016 0.000 2.072 80 E HA -0.048 4.303 4.350 0.002 0.000 0.191 80 E C 1.992 178.616 176.600 0.040 0.000 0.985 80 E CA 1.218 57.626 56.400 0.013 0.000 0.801 80 E CB -0.255 29.455 29.700 0.017 0.000 0.750 80 E HN 0.697 nan 8.360 nan 0.000 0.452 81 I N 0.910 121.508 120.570 0.047 0.000 2.286 81 I HA -0.240 3.931 4.170 0.002 0.000 0.248 81 I C 2.121 178.349 176.117 0.185 0.000 1.115 81 I CA 1.170 62.545 61.300 0.125 0.000 1.392 81 I CB -0.305 37.813 38.000 0.198 0.000 1.065 81 I HN 0.145 nan 8.210 nan 0.000 0.418 82 E N 0.787 121.002 120.200 0.025 0.000 2.072 82 E HA -0.195 4.156 4.350 0.002 0.000 0.191 82 E C 2.329 178.977 176.600 0.080 0.000 0.985 82 E CA 1.696 58.097 56.400 0.001 0.000 0.801 82 E CB -0.110 29.457 29.700 -0.221 0.000 0.750 82 E HN 0.510 nan 8.360 nan 0.000 0.452 83 S N 0.641 116.372 115.700 0.052 0.000 2.402 83 S HA -0.164 4.307 4.470 0.002 0.000 0.229 83 S C 2.067 176.726 174.600 0.099 0.000 1.021 83 S CA 0.882 59.118 58.200 0.060 0.000 0.974 83 S CB -0.214 63.006 63.200 0.033 0.000 0.800 83 S HN 0.143 nan 8.310 nan 0.000 0.484 84 M N 0.694 120.379 119.600 0.141 0.000 2.159 84 M HA 0.066 4.547 4.480 0.002 0.000 0.263 84 M C 2.291 178.761 176.300 0.284 0.000 1.063 84 M CA 1.480 56.924 55.300 0.240 0.000 1.110 84 M CB -0.485 32.256 32.600 0.236 0.000 1.374 84 M HN 0.360 nan 8.290 nan 0.000 0.411 85 I N 0.202 120.904 120.570 0.220 0.000 2.286 85 I HA -0.307 3.864 4.170 0.002 0.000 0.248 85 I C 2.334 178.548 176.117 0.161 0.000 1.115 85 I CA 1.473 62.893 61.300 0.200 0.000 1.392 85 I CB -0.072 38.063 38.000 0.225 0.000 1.065 85 I HN 0.286 nan 8.210 nan 0.000 0.418 86 R N -0.001 120.577 120.500 0.131 0.000 2.153 86 R HA -0.148 4.193 4.340 0.002 0.000 0.218 86 R C 2.081 178.407 176.300 0.043 0.000 1.072 86 R CA 1.001 57.150 56.100 0.082 0.000 0.990 86 R CB -0.169 30.174 30.300 0.072 0.000 0.889 86 R HN 0.483 nan 8.270 nan 0.000 0.452 87 E N 0.239 120.463 120.200 0.040 0.000 2.028 87 E HA -0.166 4.185 4.350 0.002 0.000 0.190 87 E C 1.119 177.639 176.600 -0.133 0.000 0.984 87 E CA 1.116 57.470 56.400 -0.078 0.000 0.800 87 E CB 0.030 29.645 29.700 -0.140 0.000 0.758 87 E HN 0.337 nan 8.360 nan 0.000 0.448 88 Y N -0.706 119.600 120.300 0.010 0.000 2.475 88 Y HA 0.180 4.731 4.550 0.002 0.000 0.289 88 Y C 1.723 177.622 175.900 -0.001 0.000 1.121 88 Y CA 0.786 58.887 58.100 0.001 0.000 1.257 88 Y CB 0.674 39.131 38.460 -0.004 0.000 1.026 88 Y HN 0.354 nan 8.280 nan 0.000 0.555 89 G N 0.325 109.210 108.800 0.140 0.000 2.179 89 G HA2 -0.317 3.644 3.960 0.002 0.000 0.260 89 G HA3 -0.317 3.644 3.960 0.002 0.000 0.260 89 G C -0.359 174.587 174.900 0.077 0.000 0.977 89 G CA 0.497 45.646 45.100 0.082 0.000 0.641 89 G HN 0.446 nan 8.290 nan 0.000 0.533 90 D N -1.871 118.584 120.400 0.092 0.000 2.937 90 D HA 0.443 5.084 4.640 0.002 0.000 0.215 90 D C 0.822 177.128 176.300 0.010 0.000 1.274 90 D CA -0.679 53.346 54.000 0.041 0.000 0.869 90 D CB 0.704 41.513 40.800 0.014 0.000 1.675 90 D HN 0.062 nan 8.370 nan 0.000 0.538 91 L N 3.550 124.762 121.223 -0.018 0.000 2.201 91 L HA 0.267 4.608 4.340 0.002 0.000 0.212 91 L C 2.061 178.869 176.870 -0.104 0.000 1.105 91 L CA 2.296 57.094 54.840 -0.071 0.000 0.775 91 L CB -0.484 41.502 42.059 -0.122 0.000 0.913 91 L HN 0.702 nan 8.230 nan 0.000 0.440 92 G N -0.433 108.310 108.800 -0.095 0.000 2.446 92 G HA2 -0.255 3.706 3.960 0.002 0.000 0.217 92 G HA3 -0.255 3.706 3.960 0.002 0.000 0.217 92 G C 1.562 176.354 174.900 -0.180 0.000 1.168 92 G CA 1.091 46.112 45.100 -0.133 0.000 0.771 92 G HN 0.415 nan 8.290 nan 0.000 0.551 93 L N 0.266 121.381 121.223 -0.180 0.000 2.201 93 L HA -0.054 4.287 4.340 0.002 0.000 0.212 93 L C 2.933 179.538 176.870 -0.443 0.000 1.105 93 L CA 0.197 54.890 54.840 -0.245 0.000 0.775 93 L CB -0.349 41.633 42.059 -0.128 0.000 0.913 93 L HN 0.100 nan 8.230 nan 0.000 0.440 94 V N 0.024 119.713 119.914 -0.375 0.000 2.323 94 V HA -0.235 3.886 4.120 0.002 0.000 0.244 94 V C 2.782 178.706 176.094 -0.282 0.000 1.041 94 V CA 1.706 63.771 62.300 -0.392 0.000 1.025 94 V CB -0.813 30.909 31.823 -0.168 0.000 0.656 94 V HN 0.456 nan 8.190 nan 0.000 0.451 95 A N -0.266 122.421 122.820 -0.223 0.000 1.883 95 A HA -0.317 4.004 4.320 0.002 0.000 0.217 95 A C 2.290 179.778 177.584 -0.159 0.000 1.186 95 A CA 2.208 54.115 52.037 -0.216 0.000 0.624 95 A CB -0.640 18.265 19.000 -0.158 0.000 0.822 95 A HN 0.626 nan 8.150 nan 0.000 0.444 96 E N -1.112 119.000 120.200 -0.147 0.000 2.097 96 E HA -0.325 4.025 4.350 0.002 0.000 0.196 96 E C 2.199 178.725 176.600 -0.123 0.000 1.000 96 E CA 1.741 58.074 56.400 -0.112 0.000 0.804 96 E CB -0.117 29.505 29.700 -0.130 0.000 0.740 96 E HN 0.574 nan 8.360 nan 0.000 0.454 97 Q N 0.421 120.097 119.800 -0.207 0.000 2.079 97 Q HA -0.050 4.291 4.340 0.002 0.000 0.200 97 Q C 2.249 178.183 176.000 -0.110 0.000 0.974 97 Q CA 1.193 56.888 55.803 -0.180 0.000 0.840 97 Q CB -0.193 28.345 28.738 -0.334 0.000 0.898 97 Q HN 0.367 nan 8.270 nan 0.000 0.430 98 L N -0.695 120.452 121.223 -0.128 0.000 2.046 98 L HA -0.176 4.165 4.340 0.002 0.000 0.208 98 L C 1.992 178.825 176.870 -0.063 0.000 1.077 98 L CA 0.753 55.539 54.840 -0.091 0.000 0.747 98 L CB -0.403 41.583 42.059 -0.121 0.000 0.896 98 L HN 0.227 nan 8.230 nan 0.000 0.432 99 I N -0.199 120.334 120.570 -0.060 0.000 2.353 99 I HA -0.232 3.939 4.170 0.002 0.000 0.248 99 I C 2.563 178.680 176.117 0.001 0.000 1.119 99 I CA 1.244 62.535 61.300 -0.014 0.000 1.417 99 I CB -0.411 37.602 38.000 0.021 0.000 1.078 99 I HN 0.141 nan 8.210 nan 0.000 0.421 100 K N 1.086 121.481 120.400 -0.009 0.000 2.032 100 K HA -0.276 4.045 4.320 0.002 0.000 0.209 100 K C 2.299 178.903 176.600 0.006 0.000 1.048 100 K CA 1.675 57.964 56.287 0.003 0.000 0.927 100 K CB -0.140 32.358 32.500 -0.005 0.000 0.712 100 K HN 0.200 nan 8.250 nan 0.000 0.441 101 K N 0.787 121.186 120.400 -0.002 0.000 2.097 101 K HA -0.210 4.111 4.320 0.002 0.000 0.206 101 K C 2.017 178.620 176.600 0.006 0.000 1.049 101 K CA 1.616 57.905 56.287 0.003 0.000 0.933 101 K CB -0.051 32.449 32.500 -0.000 0.000 0.717 101 K HN -0.078 nan 8.250 nan 0.000 0.442 102 K N 1.477 121.878 120.400 0.002 0.000 2.103 102 K HA -0.041 4.280 4.320 0.002 0.000 0.204 102 K C 2.040 178.649 176.600 0.014 0.000 1.052 102 K CA 1.314 57.604 56.287 0.006 0.000 0.945 102 K CB 0.003 32.504 32.500 0.002 0.000 0.722 102 K HN 0.047 nan 8.250 nan 0.000 0.443 103 K N -0.376 120.036 120.400 0.021 0.000 2.228 103 K HA -0.056 4.265 4.320 0.002 0.000 0.202 103 K C 1.912 178.528 176.600 0.027 0.000 1.051 103 K CA 0.907 57.212 56.287 0.029 0.000 0.960 103 K CB -0.018 32.508 32.500 0.042 0.000 0.743 103 K HN 0.106 nan 8.250 nan 0.000 0.458 104 M N 0.665 120.279 119.600 0.023 0.000 2.117 104 M HA -0.127 4.354 4.480 0.002 0.000 0.262 104 M C 1.730 178.041 176.300 0.018 0.000 1.065 104 M CA 1.855 57.168 55.300 0.022 0.000 1.114 104 M CB -0.443 32.168 32.600 0.019 0.000 1.361 104 M HN -0.055 nan 8.290 nan 0.000 0.408 105 T N -0.410 114.153 114.554 0.015 0.000 2.851 105 T HA 0.038 4.389 4.350 0.002 0.000 0.262 105 T C 0.291 174.998 174.700 0.012 0.000 1.043 105 T CA 1.550 63.657 62.100 0.012 0.000 1.140 105 T CB -0.081 68.793 68.868 0.010 0.000 0.872 105 T HN 0.395 nan 8.240 nan 0.000 0.446 106 T N 3.183 117.744 114.554 0.012 0.000 3.226 106 T HA 0.492 4.843 4.350 0.002 0.000 0.378 106 T C -0.768 173.939 174.700 0.011 0.000 1.380 106 T CA -0.669 61.436 62.100 0.009 0.000 1.396 106 T CB 0.399 69.270 68.868 0.005 0.000 1.044 106 T HN -0.041 nan 8.240 nan 0.000 0.586 107 L N 2.359 123.591 121.223 0.016 0.000 2.499 107 L HA 0.616 4.957 4.340 0.002 0.000 0.273 107 L C 0.607 177.484 176.870 0.011 0.000 1.195 107 L CA 0.365 55.220 54.840 0.024 0.000 0.882 107 L CB -0.343 41.735 42.059 0.033 0.000 1.133 107 L HN 0.684 nan 8.230 nan 0.000 0.483 108 A N 2.875 125.705 122.820 0.017 0.000 2.609 108 A HA 0.760 5.081 4.320 0.002 0.000 0.291 108 A C -0.850 176.762 177.584 0.046 0.000 1.096 108 A CA -0.779 51.240 52.037 -0.030 0.000 0.684 108 A CB 0.926 19.881 19.000 -0.075 0.000 1.282 108 A HN 0.587 nan 8.150 nan 0.000 0.412 109 F N 0.281 120.247 119.950 0.027 0.000 2.399 109 F HA 0.780 5.308 4.527 0.001 0.000 0.342 109 F C 0.078 175.900 175.800 0.036 0.000 1.106 109 F CA -0.178 57.841 58.000 0.032 0.000 1.196 109 F CB 0.637 39.655 39.000 0.031 0.000 1.163 109 F HN 0.635 nan 8.300 nan 0.000 0.547 110 E N 1.534 121.956 120.200 0.370 0.000 2.404 110 E HA 0.598 4.949 4.350 0.002 0.000 0.264 110 E C -1.507 175.223 176.600 0.217 0.000 0.946 110 E CA -1.276 55.265 56.400 0.234 0.000 0.806 110 E CB 2.093 31.884 29.700 0.153 0.000 1.334 110 E HN 0.770 nan 8.360 nan 0.000 0.429 111 E N 0.313 120.616 120.200 0.171 0.000 7.040 111 E HA -0.037 4.314 4.350 0.002 0.000 0.446 111 E C -1.596 175.091 176.600 0.145 0.000 0.656 111 E CA -0.166 56.330 56.400 0.160 0.000 2.103 111 E CB -0.053 29.729 29.700 0.136 0.000 0.882 111 E HN 0.370 nan 8.360 nan 0.000 0.262 112 L N -0.612 120.694 121.223 0.139 0.000 2.350 112 L HA 0.813 5.154 4.340 0.002 0.000 0.260 112 L C 0.397 177.346 176.870 0.132 0.000 1.015 112 L CA -0.775 54.122 54.840 0.096 0.000 0.821 112 L CB 1.035 43.101 42.059 0.011 0.000 1.370 112 L HN 0.705 nan 8.230 nan 0.000 0.416 113 T N -1.983 112.622 114.554 0.086 0.000 2.899 113 T HA 0.344 4.695 4.350 0.002 0.000 0.295 113 T C 1.389 176.151 174.700 0.102 0.000 1.033 113 T CA -0.476 61.683 62.100 0.098 0.000 1.084 113 T CB 1.644 70.531 68.868 0.032 0.000 0.979 113 T HN 0.397 nan 8.240 nan 0.000 0.532 114 V N 1.841 121.854 119.914 0.165 0.000 2.469 114 V HA -0.154 3.967 4.120 0.002 0.000 0.251 114 V C 2.954 179.077 176.094 0.049 0.000 1.064 114 V CA 2.043 64.458 62.300 0.191 0.000 1.066 114 V CB -1.074 30.833 31.823 0.140 0.000 0.667 114 V HN 0.866 nan 8.190 nan 0.000 0.461 115 R N 0.542 121.021 120.500 -0.035 0.000 2.073 115 R HA -0.137 4.204 4.340 0.002 0.000 0.234 115 R C 2.402 178.637 176.300 -0.108 0.000 1.134 115 R CA 1.693 57.726 56.100 -0.111 0.000 0.952 115 R CB -0.471 29.665 30.300 -0.273 0.000 0.850 115 R HN 0.415 nan 8.270 nan 0.000 0.433 116 K N -0.146 120.188 120.400 -0.110 0.000 2.057 116 K HA -0.113 4.208 4.320 0.002 0.000 0.207 116 K C 1.824 178.307 176.600 -0.196 0.000 1.049 116 K CA 1.639 57.853 56.287 -0.121 0.000 0.931 116 K CB -0.078 32.366 32.500 -0.094 0.000 0.714 116 K HN 0.087 nan 8.250 nan 0.000 0.440 117 V N 1.182 120.941 119.914 -0.258 0.000 2.287 117 V HA -0.277 3.844 4.120 0.002 0.000 0.248 117 V C 2.537 178.285 176.094 -0.576 0.000 1.053 117 V CA 2.204 64.163 62.300 -0.567 0.000 1.027 117 V CB -0.558 30.895 31.823 -0.615 0.000 0.646 117 V HN 0.377 nan 8.190 nan 0.000 0.447 118 R N 0.416 120.814 120.500 -0.170 0.000 2.083 118 R HA -0.175 4.166 4.340 0.002 0.000 0.237 118 R C 2.233 178.546 176.300 0.023 0.000 1.137 118 R CA 1.873 57.988 56.100 0.026 0.000 0.951 118 R CB -0.423 29.918 30.300 0.067 0.000 0.851 118 R HN 0.577 nan 8.270 nan 0.000 0.434 119 E N -0.507 119.672 120.200 -0.036 0.000 2.047 119 E HA -0.135 4.215 4.350 0.002 0.000 0.191 119 E C 2.009 178.616 176.600 0.011 0.000 0.987 119 E CA 1.922 58.318 56.400 -0.007 0.000 0.799 119 E CB -0.459 29.219 29.700 -0.037 0.000 0.752 119 E HN 0.432 nan 8.360 nan 0.000 0.449 120 T N 1.523 116.046 114.554 -0.053 0.000 2.746 120 T HA -0.108 4.243 4.350 0.002 0.000 0.267 120 T C 1.841 176.630 174.700 0.148 0.000 1.039 120 T CA 1.017 63.107 62.100 -0.018 0.000 1.142 120 T CB -0.501 68.291 68.868 -0.127 0.000 0.866 120 T HN 0.181 nan 8.240 nan 0.000 0.444 121 F N 1.638 121.576 119.950 -0.020 0.000 2.095 121 F HA -0.167 4.361 4.527 0.002 0.000 0.298 121 F C 2.507 178.385 175.800 0.129 0.000 1.104 121 F CA 0.593 58.605 58.000 0.019 0.000 1.232 121 F CB -0.279 38.700 39.000 -0.034 0.000 0.987 121 F HN 0.122 nan 8.300 nan 0.000 0.475 122 D N 0.128 120.732 120.400 0.339 0.000 2.144 122 D HA -0.196 4.445 4.640 0.002 0.000 0.199 122 D C 1.905 178.294 176.300 0.148 0.000 0.984 122 D CA 1.124 55.284 54.000 0.267 0.000 0.834 122 D CB -0.473 40.445 40.800 0.196 0.000 0.955 122 D HN 0.385 nan 8.370 nan 0.000 0.465 123 E N 0.320 120.589 120.200 0.115 0.000 2.051 123 E HA -0.144 4.207 4.350 0.002 0.000 0.192 123 E C 2.262 178.904 176.600 0.069 0.000 0.991 123 E CA 0.630 57.073 56.400 0.071 0.000 0.799 123 E CB -0.128 29.602 29.700 0.050 0.000 0.748 123 E HN 0.201 nan 8.360 nan 0.000 0.449 124 I N 1.236 121.864 120.570 0.098 0.000 2.151 124 I HA -0.326 3.844 4.170 0.002 0.000 0.243 124 I C 2.602 178.748 176.117 0.048 0.000 1.080 124 I CA 1.287 62.632 61.300 0.075 0.000 1.339 124 I CB -0.391 37.665 38.000 0.094 0.000 1.039 124 I HN 0.226 nan 8.210 nan 0.000 0.409 125 A N 0.472 123.333 122.820 0.067 0.000 1.978 125 A HA -0.235 4.086 4.320 0.002 0.000 0.220 125 A C 2.393 179.954 177.584 -0.039 0.000 1.170 125 A CA 2.218 54.254 52.037 -0.003 0.000 0.636 125 A CB -0.781 18.189 19.000 -0.050 0.000 0.810 125 A HN 0.570 nan 8.150 nan 0.000 0.448 126 S N -0.824 114.869 115.700 -0.012 0.000 2.522 126 S HA 0.225 4.696 4.470 0.002 0.000 0.227 126 S C 0.527 175.119 174.600 -0.013 0.000 0.986 126 S CA -0.173 58.014 58.200 -0.021 0.000 0.929 126 S CB -0.523 62.673 63.200 -0.008 0.000 0.769 126 S HN 0.369 nan 8.310 nan 0.000 0.529 127 L N 3.445 124.667 121.223 -0.003 0.000 2.315 127 L HA 0.395 4.736 4.340 0.002 0.000 0.283 127 L C 0.264 177.133 176.870 -0.003 0.000 1.089 127 L CA -0.296 54.545 54.840 0.002 0.000 0.833 127 L CB 0.558 42.623 42.059 0.011 0.000 1.170 127 L HN 0.316 nan 8.230 nan 0.000 0.442 128 T N -0.281 114.271 114.554 -0.003 0.000 2.906 128 T HA 0.892 5.243 4.350 0.002 0.000 0.295 128 T C 0.106 174.807 174.700 0.001 0.000 1.075 128 T CA -0.165 61.933 62.100 -0.003 0.000 1.005 128 T CB 2.371 71.234 68.868 -0.008 0.000 1.136 128 T HN 0.967 nan 8.240 nan 0.000 0.498 129 G N 0.793 109.595 108.800 0.003 0.000 2.548 129 G HA2 -0.009 3.952 3.960 0.002 0.000 0.208 129 G HA3 -0.009 3.952 3.960 0.002 0.000 0.208 129 G C -0.945 173.959 174.900 0.007 0.000 1.308 129 G CA -0.837 44.265 45.100 0.004 0.000 0.924 129 G HN 0.904 nan 8.290 nan 0.000 0.540 130 E N 1.400 121.605 120.200 0.007 0.000 2.366 130 E HA 0.404 4.755 4.350 0.002 0.000 0.266 130 E C 1.371 177.977 176.600 0.010 0.000 1.015 130 E CA 1.571 57.977 56.400 0.009 0.000 0.906 130 E CB 0.467 30.172 29.700 0.008 0.000 0.979 130 E HN 2.211 nan 8.360 nan 0.000 0.443 131 G N 2.978 111.786 108.800 0.013 0.000 2.199 131 G HA2 -0.395 3.566 3.960 0.002 0.000 0.254 131 G HA3 -0.395 3.566 3.960 0.002 0.000 0.254 131 G C 1.198 176.108 174.900 0.016 0.000 0.982 131 G CA 1.003 46.112 45.100 0.015 0.000 0.632 131 G HN 0.590 nan 8.290 nan 0.000 0.529 132 S N -0.163 115.545 115.700 0.014 0.000 2.368 132 S HA -0.054 4.417 4.470 0.002 0.000 0.225 132 S C 2.294 176.906 174.600 0.019 0.000 1.030 132 S CA 1.860 60.069 58.200 0.015 0.000 0.999 132 S CB -0.359 62.848 63.200 0.011 0.000 0.844 132 S HN 0.678 nan 8.310 nan 0.000 0.459 133 M N 1.055 120.668 119.600 0.021 0.000 2.108 133 M HA -0.119 4.362 4.480 0.002 0.000 0.261 133 M C 1.867 178.186 176.300 0.032 0.000 1.066 133 M CA 1.606 56.923 55.300 0.027 0.000 1.107 133 M CB -0.244 32.374 32.600 0.030 0.000 1.356 133 M HN 0.219 nan 8.290 nan 0.000 0.406 134 K N -0.156 120.262 120.400 0.029 0.000 2.097 134 K HA -0.156 4.165 4.320 0.002 0.000 0.205 134 K C 2.018 178.636 176.600 0.031 0.000 1.050 134 K CA 1.202 57.508 56.287 0.031 0.000 0.938 134 K CB -0.628 31.889 32.500 0.027 0.000 0.718 134 K HN 0.479 nan 8.250 nan 0.000 0.442 135 R N 1.865 122.381 120.500 0.026 0.000 2.081 135 R HA -0.108 4.233 4.340 0.002 0.000 0.235 135 R C 2.024 178.342 176.300 0.030 0.000 1.131 135 R CA 1.469 57.584 56.100 0.025 0.000 0.960 135 R CB 0.040 30.352 30.300 0.021 0.000 0.856 135 R HN 0.072 nan 8.270 nan 0.000 0.436 136 K N 0.285 120.704 120.400 0.031 0.000 2.044 136 K HA -0.171 4.150 4.320 0.002 0.000 0.210 136 K C 2.118 178.744 176.600 0.044 0.000 1.049 136 K CA 1.952 58.261 56.287 0.035 0.000 0.927 136 K CB -0.248 32.270 32.500 0.031 0.000 0.713 136 K HN 0.259 nan 8.250 nan 0.000 0.443 137 I N 0.723 121.322 120.570 0.049 0.000 2.226 137 I HA -0.295 3.876 4.170 0.002 0.000 0.245 137 I C 2.326 178.481 176.117 0.063 0.000 1.100 137 I CA 0.938 62.277 61.300 0.064 0.000 1.374 137 I CB -0.189 37.849 38.000 0.063 0.000 1.057 137 I HN 0.174 nan 8.210 nan 0.000 0.413 138 M N 0.002 119.630 119.600 0.047 0.000 2.159 138 M HA -0.144 4.337 4.480 0.002 0.000 0.263 138 M C 2.390 178.711 176.300 0.034 0.000 1.063 138 M CA 1.768 57.092 55.300 0.040 0.000 1.110 138 M CB -1.132 31.486 32.600 0.030 0.000 1.374 138 M HN 0.240 nan 8.290 nan 0.000 0.411 139 L N -0.593 120.647 121.223 0.029 0.000 2.056 139 L HA -0.197 4.144 4.340 0.002 0.000 0.207 139 L C 2.405 179.276 176.870 0.001 0.000 1.078 139 L CA 0.907 55.757 54.840 0.017 0.000 0.749 139 L CB -0.659 41.416 42.059 0.025 0.000 0.901 139 L HN 0.235 nan 8.230 nan 0.000 0.433 140 L N -0.912 120.321 121.223 0.017 0.000 2.046 140 L HA -0.207 4.134 4.340 0.002 0.000 0.208 140 L C 2.617 179.509 176.870 0.037 0.000 1.077 140 L CA 1.481 56.310 54.840 -0.018 0.000 0.747 140 L CB -0.927 41.164 42.059 0.053 0.000 0.896 140 L HN 0.251 nan 8.230 nan 0.000 0.432 141 T N -0.310 114.315 114.554 0.118 0.000 2.720 141 T HA -0.156 4.195 4.350 0.002 0.000 0.268 141 T C 1.822 176.579 174.700 0.095 0.000 1.037 141 T CA 1.422 63.612 62.100 0.150 0.000 1.144 141 T CB -0.553 68.374 68.868 0.099 0.000 0.864 141 T HN 0.589 nan 8.240 nan 0.000 0.444 142 G N 0.802 109.625 108.800 0.038 0.000 2.408 142 G HA2 -0.104 3.857 3.960 0.002 0.000 0.217 142 G HA3 -0.104 3.857 3.960 0.002 0.000 0.217 142 G C 1.468 176.359 174.900 -0.014 0.000 1.150 142 G CA 0.385 45.492 45.100 0.011 0.000 0.776 142 G HN 0.349 nan 8.290 nan 0.000 0.542 143 L N -0.627 120.555 121.223 -0.069 0.000 2.072 143 L HA 0.189 4.530 4.340 0.002 0.000 0.205 143 L C 2.573 179.371 176.870 -0.120 0.000 1.079 143 L CA 1.233 55.978 54.840 -0.157 0.000 0.752 143 L CB -0.659 41.223 42.059 -0.295 0.000 0.906 143 L HN 0.360 nan 8.230 nan 0.000 0.436 144 Y N -0.994 119.291 120.300 -0.025 0.000 2.274 144 Y HA -0.152 4.399 4.550 0.002 0.000 0.290 144 Y C 2.364 178.261 175.900 -0.006 0.000 1.145 144 Y CA 0.792 58.883 58.100 -0.016 0.000 1.203 144 Y CB -0.491 37.962 38.460 -0.012 0.000 0.984 144 Y HN 0.276 nan 8.280 nan 0.000 0.533 145 G N -0.640 108.247 108.800 0.145 0.000 2.471 145 G HA2 -0.172 3.789 3.960 0.002 0.000 0.219 145 G HA3 -0.172 3.789 3.960 0.002 0.000 0.219 145 G C 1.229 176.163 174.900 0.056 0.000 1.125 145 G CA 0.692 45.840 45.100 0.080 0.000 0.775 145 G HN 0.202 nan 8.290 nan 0.000 0.548 146 L N 0.183 121.435 121.223 0.048 0.000 2.590 146 L HA 0.494 4.835 4.340 0.002 0.000 0.227 146 L C 1.580 178.494 176.870 0.073 0.000 1.099 146 L CA -0.599 54.269 54.840 0.046 0.000 0.872 146 L CB -0.306 41.767 42.059 0.023 0.000 1.088 146 L HN 0.183 nan 8.230 nan 0.000 0.479 147 A N -0.241 122.626 122.820 0.079 0.000 2.316 147 A HA 0.512 4.833 4.320 0.002 0.000 0.284 147 A C 0.659 178.319 177.584 0.128 0.000 1.115 147 A CA -0.057 52.041 52.037 0.102 0.000 0.812 147 A CB 0.055 19.108 19.000 0.088 0.000 1.064 147 A HN 0.353 nan 8.150 nan 0.000 0.489 148 T N 0.086 114.727 114.554 0.145 0.000 2.813 148 T HA 0.314 4.665 4.350 0.002 0.000 0.297 148 T C -1.841 172.934 174.700 0.126 0.000 1.036 148 T CA -0.953 61.226 62.100 0.131 0.000 1.044 148 T CB 0.381 69.331 68.868 0.136 0.000 0.993 148 T HN 0.331 nan 8.240 nan 0.000 0.535 149 P HA -0.090 nan 4.420 nan 0.000 0.215 149 P C 1.623 178.965 177.300 0.071 0.000 1.157 149 P CA 0.468 63.604 63.100 0.060 0.000 0.874 149 P CB -0.050 31.669 31.700 0.032 0.000 0.790 150 L N -0.336 120.945 121.223 0.098 0.000 2.141 150 L HA -0.121 4.220 4.340 0.002 0.000 0.209 150 L C 2.120 179.143 176.870 0.254 0.000 1.094 150 L CA 1.782 56.702 54.840 0.133 0.000 0.763 150 L CB -1.316 40.830 42.059 0.145 0.000 0.908 150 L HN -0.021 nan 8.230 nan 0.000 0.437 151 E N -1.037 119.338 120.200 0.292 0.000 2.072 151 E HA -0.195 4.156 4.350 0.002 0.000 0.191 151 E C 2.200 179.008 176.600 0.347 0.000 0.985 151 E CA 1.082 57.759 56.400 0.461 0.000 0.801 151 E CB -0.188 29.748 29.700 0.394 0.000 0.750 151 E HN 0.559 nan 8.360 nan 0.000 0.452 152 A N 1.368 124.324 122.820 0.227 0.000 1.933 152 A HA -0.217 4.104 4.320 0.002 0.000 0.218 152 A C 2.048 179.743 177.584 0.186 0.000 1.175 152 A CA 1.565 53.756 52.037 0.256 0.000 0.628 152 A CB -0.436 18.720 19.000 0.260 0.000 0.814 152 A HN 0.095 nan 8.150 nan 0.000 0.444 153 R N -1.565 118.966 120.500 0.051 0.000 2.082 153 R HA -0.190 4.151 4.340 0.002 0.000 0.234 153 R C 1.798 177.993 176.300 -0.175 0.000 1.136 153 R CA 2.245 58.251 56.100 -0.156 0.000 0.935 153 R CB -0.504 29.576 30.300 -0.366 0.000 0.842 153 R HN 0.536 nan 8.270 nan 0.000 0.430 154 Y N -0.174 120.253 120.300 0.212 0.000 2.457 154 Y HA -0.036 4.515 4.550 0.002 0.000 0.292 154 Y C 1.845 177.971 175.900 0.377 0.000 1.125 154 Y CA 0.173 58.444 58.100 0.284 0.000 1.254 154 Y CB -0.042 38.564 38.460 0.244 0.000 1.012 154 Y HN 0.107 nan 8.280 nan 0.000 0.555 155 L N -0.372 121.079 121.223 0.381 0.000 2.046 155 L HA -0.185 4.156 4.340 0.002 0.000 0.208 155 L C 2.234 179.158 176.870 0.090 0.000 1.077 155 L CA 1.965 56.837 54.840 0.054 0.000 0.747 155 L CB -1.437 40.495 42.059 -0.213 0.000 0.896 155 L HN 0.171 nan 8.230 nan 0.000 0.432 156 T N -0.943 113.686 114.554 0.125 0.000 2.737 156 T HA -0.158 4.193 4.350 0.002 0.000 0.265 156 T C 2.030 176.763 174.700 0.055 0.000 1.038 156 T CA 1.112 63.276 62.100 0.106 0.000 1.144 156 T CB -0.087 68.845 68.868 0.107 0.000 0.866 156 T HN 0.271 nan 8.240 nan 0.000 0.434 157 R N 0.255 120.796 120.500 0.069 0.000 2.115 157 R HA 0.014 4.355 4.340 0.002 0.000 0.230 157 R C 2.348 178.707 176.300 0.098 0.000 1.111 157 R CA 0.776 56.920 56.100 0.074 0.000 0.976 157 R CB -0.513 29.842 30.300 0.092 0.000 0.870 157 R HN 0.233 nan 8.270 nan 0.000 0.445 158 L N 1.245 122.551 121.223 0.138 0.000 2.005 158 L HA -0.109 4.232 4.340 0.002 0.000 0.207 158 L C 1.976 178.818 176.870 -0.048 0.000 1.072 158 L CA 1.621 56.510 54.840 0.082 0.000 0.744 158 L CB -0.408 41.714 42.059 0.105 0.000 0.895 158 L HN 0.070 nan 8.230 nan 0.000 0.433 159 I N -0.727 119.790 120.570 -0.087 0.000 2.264 159 I HA -0.323 3.848 4.170 0.002 0.000 0.248 159 I C 2.071 178.128 176.117 -0.101 0.000 1.111 159 I CA 1.309 62.506 61.300 -0.172 0.000 1.382 159 I CB -0.289 37.622 38.000 -0.148 0.000 1.060 159 I HN 0.248 nan 8.210 nan 0.000 0.418 160 L N 0.159 121.354 121.223 -0.047 0.000 2.599 160 L HA 0.061 4.402 4.340 0.002 0.000 0.230 160 L C 0.400 177.259 176.870 -0.019 0.000 1.141 160 L CA 0.398 55.218 54.840 -0.033 0.000 0.877 160 L CB -0.700 41.349 42.059 -0.018 0.000 1.009 160 L HN 0.395 nan 8.230 nan 0.000 0.447 161 N N 0.270 118.964 118.700 -0.011 0.000 2.753 161 N HA -0.247 4.494 4.740 0.002 0.000 0.251 161 N C 0.056 175.587 175.510 0.034 0.000 1.097 161 N CA 0.885 53.941 53.050 0.010 0.000 0.786 161 N CB -0.932 37.553 38.487 -0.004 0.000 1.137 161 N HN 0.663 nan 8.380 nan 0.000 0.566 162 E N -0.116 120.110 120.200 0.043 0.000 2.267 162 E HA 0.306 4.657 4.350 0.002 0.000 0.248 162 E C 0.602 177.249 176.600 0.079 0.000 0.899 162 E CA -0.822 55.610 56.400 0.054 0.000 0.764 162 E CB 0.829 30.552 29.700 0.038 0.000 1.227 162 E HN -0.036 nan 8.360 nan 0.000 0.421 163 M N 1.821 121.485 119.600 0.107 0.000 2.349 163 M HA 0.075 4.556 4.480 0.002 0.000 0.266 163 M C 0.532 176.918 176.300 0.143 0.000 1.076 163 M CA 0.776 56.175 55.300 0.165 0.000 1.126 163 M CB -1.092 31.605 32.600 0.161 0.000 1.392 163 M HN 0.724 nan 8.290 nan 0.000 0.440 164 R N -0.036 120.512 120.500 0.080 0.000 3.423 164 R HA -0.170 4.171 4.340 0.002 0.000 0.271 164 R C 0.311 176.634 176.300 0.039 0.000 1.093 164 R CA 0.165 56.296 56.100 0.053 0.000 0.730 164 R CB -2.599 27.727 30.300 0.044 0.000 1.190 164 R HN 0.356 nan 8.270 nan 0.000 0.437 165 L N -1.271 119.962 121.223 0.016 0.000 2.664 165 L HA 0.238 4.579 4.340 0.002 0.000 0.233 165 L C 1.511 178.355 176.870 -0.044 0.000 1.113 165 L CA 0.552 55.369 54.840 -0.038 0.000 0.896 165 L CB 0.648 42.649 42.059 -0.096 0.000 1.163 165 L HN 0.526 nan 8.230 nan 0.000 0.497 166 G N 1.266 110.056 108.800 -0.016 0.000 2.176 166 G HA2 -0.230 3.731 3.960 0.002 0.000 0.252 166 G HA3 -0.230 3.731 3.960 0.002 0.000 0.252 166 G C -0.066 174.825 174.900 -0.015 0.000 1.024 166 G CA 0.140 45.232 45.100 -0.013 0.000 0.755 166 G HN 0.128 nan 8.290 nan 0.000 0.507 167 V N 0.264 120.172 119.914 -0.011 0.000 2.378 167 V HA 0.812 4.933 4.120 0.002 0.000 0.288 167 V C 0.939 177.042 176.094 0.016 0.000 1.016 167 V CA 0.140 62.438 62.300 -0.005 0.000 0.840 167 V CB 1.292 33.105 31.823 -0.016 0.000 0.994 167 V HN 0.711 nan 8.190 nan 0.000 0.431 168 G N 2.634 111.445 108.800 0.019 0.000 3.107 168 G HA2 0.475 4.436 3.960 0.002 0.000 0.232 168 G HA3 0.475 4.436 3.960 0.002 0.000 0.232 168 G C 0.355 175.268 174.900 0.023 0.000 1.339 168 G CA -0.197 44.920 45.100 0.029 0.000 1.033 168 G HN 0.581 nan 8.290 nan 0.000 0.567 169 E N -0.675 119.545 120.200 0.033 0.000 2.077 169 E HA -0.014 4.337 4.350 0.002 0.000 0.193 169 E C 2.506 179.110 176.600 0.005 0.000 0.989 169 E CA 1.749 58.160 56.400 0.019 0.000 0.800 169 E CB -0.492 29.258 29.700 0.084 0.000 0.746 169 E HN 0.462 nan 8.360 nan 0.000 0.452 170 G N 0.457 109.273 108.800 0.027 0.000 2.421 170 G HA2 -0.242 3.718 3.960 0.002 0.000 0.216 170 G HA3 -0.242 3.718 3.960 0.002 0.000 0.216 170 G C 1.626 176.534 174.900 0.012 0.000 1.171 170 G CA 0.895 46.010 45.100 0.024 0.000 0.775 170 G HN 0.241 nan 8.290 nan 0.000 0.543 171 I N 0.470 121.046 120.570 0.010 0.000 2.226 171 I HA -0.183 3.988 4.170 0.002 0.000 0.245 171 I C 2.899 179.019 176.117 0.004 0.000 1.100 171 I CA 0.871 62.176 61.300 0.008 0.000 1.374 171 I CB -0.148 37.855 38.000 0.006 0.000 1.057 171 I HN 0.108 nan 8.210 nan 0.000 0.413 172 M N 0.060 119.657 119.600 -0.004 0.000 2.117 172 M HA -0.212 4.269 4.480 0.002 0.000 0.262 172 M C 2.392 178.675 176.300 -0.029 0.000 1.065 172 M CA 1.626 56.917 55.300 -0.016 0.000 1.114 172 M CB -1.385 31.191 32.600 -0.040 0.000 1.361 172 M HN 0.267 nan 8.290 nan 0.000 0.408 173 R N 0.511 120.983 120.500 -0.046 0.000 2.083 173 R HA -0.203 4.138 4.340 0.002 0.000 0.237 173 R C 1.460 177.762 176.300 0.004 0.000 1.137 173 R CA 2.192 58.273 56.100 -0.030 0.000 0.951 173 R CB -0.310 29.983 30.300 -0.012 0.000 0.851 173 R HN 0.253 nan 8.270 nan 0.000 0.434 174 D N 0.267 120.671 120.400 0.007 0.000 2.144 174 D HA -0.074 4.567 4.640 0.002 0.000 0.200 174 D C 1.748 178.050 176.300 0.004 0.000 0.978 174 D CA 1.502 55.508 54.000 0.010 0.000 0.833 174 D CB -0.182 40.624 40.800 0.010 0.000 0.961 174 D HN 0.453 nan 8.370 nan 0.000 0.470 175 A N 0.384 123.206 122.820 0.003 0.000 1.929 175 A HA -0.053 4.268 4.320 0.002 0.000 0.216 175 A C 2.309 179.876 177.584 -0.029 0.000 1.176 175 A CA 0.591 52.623 52.037 -0.007 0.000 0.628 175 A CB -0.547 18.463 19.000 0.017 0.000 0.816 175 A HN 0.158 nan 8.150 nan 0.000 0.444 176 I N -0.189 120.392 120.570 0.018 0.000 2.252 176 I HA -0.252 3.918 4.170 0.002 0.000 0.245 176 I C 2.947 179.128 176.117 0.106 0.000 1.102 176 I CA 0.972 62.329 61.300 0.095 0.000 1.385 176 I CB -0.248 37.834 38.000 0.137 0.000 1.064 176 I HN 0.347 nan 8.210 nan 0.000 0.414 177 A N 0.694 123.552 122.820 0.062 0.000 1.877 177 A HA -0.255 4.066 4.320 0.002 0.000 0.216 177 A C 2.440 180.034 177.584 0.017 0.000 1.186 177 A CA 1.830 53.902 52.037 0.058 0.000 0.620 177 A CB -0.645 18.379 19.000 0.041 0.000 0.822 177 A HN 0.341 nan 8.150 nan 0.000 0.443 178 R N -0.485 120.000 120.500 -0.025 0.000 2.073 178 R HA -0.098 4.243 4.340 0.002 0.000 0.234 178 R C 2.322 178.545 176.300 -0.128 0.000 1.134 178 R CA 1.468 57.535 56.100 -0.055 0.000 0.952 178 R CB -0.407 29.863 30.300 -0.050 0.000 0.850 178 R HN 0.442 nan 8.270 nan 0.000 0.433 179 A N -0.041 122.620 122.820 -0.264 0.000 1.902 179 A HA -0.106 4.215 4.320 0.002 0.000 0.217 179 A C 1.150 178.373 177.584 -0.602 0.000 1.181 179 A CA 1.137 52.829 52.037 -0.575 0.000 0.623 179 A CB -0.205 18.178 19.000 -1.029 0.000 0.818 179 A HN 0.390 nan 8.150 nan 0.000 0.443 180 F N -2.138 117.811 119.950 -0.002 0.000 2.735 180 F HA 0.461 4.989 4.527 0.002 0.000 0.304 180 F C 0.512 176.312 175.800 0.000 0.000 1.119 180 F CA -0.721 57.277 58.000 -0.004 0.000 1.280 180 F CB 0.255 39.254 39.000 -0.003 0.000 0.994 180 F HN 0.005 nan 8.300 nan 0.000 0.520 181 R N 0.881 121.441 120.500 0.100 0.000 3.209 181 R HA -0.117 4.224 4.340 0.002 0.000 0.252 181 R C -0.626 175.721 176.300 0.078 0.000 0.958 181 R CA 0.537 56.678 56.100 0.068 0.000 0.651 181 R CB -1.736 28.600 30.300 0.060 0.000 1.142 181 R HN 0.367 nan 8.270 nan 0.000 0.441 182 A N -0.208 122.660 122.820 0.080 0.000 2.413 182 A HA 0.581 4.902 4.320 0.002 0.000 0.307 182 A C -0.782 176.833 177.584 0.052 0.000 1.087 182 A CA -0.622 51.457 52.037 0.071 0.000 0.750 182 A CB 1.300 20.355 19.000 0.092 0.000 1.296 182 A HN 0.213 nan 8.150 nan 0.000 0.423 183 D N 1.287 121.713 120.400 0.044 0.000 2.425 183 D HA 0.225 4.866 4.640 0.002 0.000 0.247 183 D C -1.555 174.770 176.300 0.041 0.000 1.147 183 D CA -1.470 52.552 54.000 0.037 0.000 0.879 183 D CB 1.248 42.068 40.800 0.033 0.000 1.179 183 D HN 0.092 nan 8.370 nan 0.000 0.456 184 P HA -0.112 nan 4.420 nan 0.000 0.219 184 P C 0.803 178.129 177.300 0.043 0.000 1.146 184 P CA 1.054 64.177 63.100 0.038 0.000 0.808 184 P CB 0.380 32.098 31.700 0.030 0.000 0.779 185 E N -1.381 118.843 120.200 0.039 0.000 2.152 185 E HA -0.121 4.230 4.350 0.002 0.000 0.192 185 E C 2.043 178.671 176.600 0.047 0.000 0.983 185 E CA 1.578 58.002 56.400 0.040 0.000 0.818 185 E CB -0.701 29.017 29.700 0.031 0.000 0.758 185 E HN 0.223 nan 8.360 nan 0.000 0.467 186 T N -1.334 113.248 114.554 0.046 0.000 3.043 186 T HA -0.009 4.341 4.350 0.002 0.000 0.263 186 T C 1.810 176.548 174.700 0.063 0.000 1.094 186 T CA 0.675 62.805 62.100 0.050 0.000 1.127 186 T CB -0.053 68.841 68.868 0.042 0.000 0.905 186 T HN -0.039 nan 8.240 nan 0.000 0.490 187 V N 1.342 121.296 119.914 0.067 0.000 2.270 187 V HA -0.062 4.059 4.120 0.002 0.000 0.245 187 V C 2.626 178.784 176.094 0.106 0.000 1.043 187 V CA 2.294 64.640 62.300 0.077 0.000 1.014 187 V CB -0.775 31.087 31.823 0.064 0.000 0.645 187 V HN 0.594 nan 8.190 nan 0.000 0.447 188 E N 0.607 120.868 120.200 0.102 0.000 2.048 188 E HA -0.289 4.062 4.350 0.002 0.000 0.202 188 E C 2.361 179.048 176.600 0.145 0.000 1.021 188 E CA 2.019 58.503 56.400 0.141 0.000 0.825 188 E CB -0.281 29.477 29.700 0.096 0.000 0.756 188 E HN 0.411 nan 8.360 nan 0.000 0.454 189 R N -0.455 120.101 120.500 0.093 0.000 2.091 189 R HA -0.148 4.193 4.340 0.002 0.000 0.238 189 R C 2.409 178.756 176.300 0.079 0.000 1.136 189 R CA 1.300 57.442 56.100 0.070 0.000 0.959 189 R CB -0.446 29.884 30.300 0.051 0.000 0.856 189 R HN 0.326 nan 8.270 nan 0.000 0.437 190 A N 0.001 122.880 122.820 0.097 0.000 1.930 190 A HA -0.209 4.112 4.320 0.002 0.000 0.217 190 A C 1.918 179.594 177.584 0.153 0.000 1.175 190 A CA 1.090 53.188 52.037 0.102 0.000 0.627 190 A CB -0.655 18.401 19.000 0.094 0.000 0.815 190 A HN 0.443 nan 8.150 nan 0.000 0.443 191 Y N 0.209 120.529 120.300 0.034 0.000 2.181 191 Y HA -0.182 4.370 4.550 0.002 0.000 0.288 191 Y C 2.196 178.112 175.900 0.027 0.000 1.146 191 Y CA 1.688 59.812 58.100 0.040 0.000 1.164 191 Y CB -0.281 38.206 38.460 0.046 0.000 0.982 191 Y HN 0.224 nan 8.280 nan 0.000 0.515 192 M N 0.019 119.599 119.600 -0.034 0.000 2.296 192 M HA -0.088 4.393 4.480 0.002 0.000 0.265 192 M C 2.035 178.264 176.300 -0.118 0.000 1.064 192 M CA 1.435 56.654 55.300 -0.136 0.000 1.109 192 M CB -1.274 31.299 32.600 -0.045 0.000 1.396 192 M HN 0.557 nan 8.290 nan 0.000 0.430 193 I N -3.147 117.385 120.570 -0.062 0.000 3.968 193 I HA 0.090 4.261 4.170 0.002 0.000 0.328 193 I C 1.666 177.712 176.117 -0.117 0.000 1.290 193 I CA 0.743 62.001 61.300 -0.071 0.000 1.163 193 I CB -0.285 37.706 38.000 -0.016 0.000 1.024 193 I HN 0.143 nan 8.210 nan 0.000 0.413 194 T N -3.823 110.678 114.554 -0.088 0.000 2.999 194 T HA 0.208 4.559 4.350 0.002 0.000 0.247 194 T C 0.953 175.600 174.700 -0.090 0.000 1.012 194 T CA 0.120 62.177 62.100 -0.071 0.000 1.048 194 T CB -0.287 68.629 68.868 0.080 0.000 1.020 194 T HN 0.334 nan 8.240 nan 0.000 0.478 195 N N 2.487 121.129 118.700 -0.096 0.000 2.721 195 N HA -0.145 4.596 4.740 0.002 0.000 0.249 195 N C -1.056 174.759 175.510 0.509 0.000 1.072 195 N CA 1.376 54.405 53.050 -0.035 0.000 0.710 195 N CB -0.908 37.469 38.487 -0.183 0.000 0.993 195 N HN 0.655 nan 8.380 nan 0.000 0.547 196 D N 0.466 121.181 120.400 0.525 0.000 2.386 196 D HA 0.224 4.865 4.640 0.002 0.000 0.247 196 D C 0.910 177.402 176.300 0.319 0.000 1.336 196 D CA -0.507 53.772 54.000 0.464 0.000 0.976 196 D CB 0.539 41.623 40.800 0.473 0.000 1.257 196 D HN -0.000 nan 8.370 nan 0.000 0.570 197 L N 2.337 123.656 121.223 0.160 0.000 2.191 197 L HA -0.009 4.332 4.340 0.002 0.000 0.212 197 L C 2.165 178.969 176.870 -0.109 0.000 1.103 197 L CA 1.456 56.222 54.840 -0.123 0.000 0.769 197 L CB 0.014 41.852 42.059 -0.368 0.000 0.908 197 L HN 0.492 nan 8.230 nan 0.000 0.438 198 G N -0.719 107.944 108.800 -0.228 0.000 2.433 198 G HA2 -0.268 3.693 3.960 0.002 0.000 0.216 198 G HA3 -0.268 3.693 3.960 0.002 0.000 0.216 198 G C 1.730 176.638 174.900 0.015 0.000 1.186 198 G CA 0.210 45.057 45.100 -0.423 0.000 0.779 198 G HN 0.166 nan 8.290 nan 0.000 0.543 199 R N 0.073 120.709 120.500 0.226 0.000 2.096 199 R HA -0.087 4.254 4.340 0.002 0.000 0.240 199 R C 2.722 179.102 176.300 0.134 0.000 1.139 199 R CA 1.603 57.870 56.100 0.279 0.000 0.952 199 R CB -0.725 29.752 30.300 0.295 0.000 0.854 199 R HN 0.310 nan 8.270 nan 0.000 0.436 200 V N 0.892 120.871 119.914 0.107 0.000 2.332 200 V HA -0.265 3.856 4.120 0.002 0.000 0.248 200 V C 2.567 178.669 176.094 0.014 0.000 1.055 200 V CA 1.939 64.279 62.300 0.068 0.000 1.038 200 V CB -0.835 31.040 31.823 0.087 0.000 0.651 200 V HN 0.459 nan 8.190 nan 0.000 0.450 201 A N -0.242 122.580 122.820 0.005 0.000 1.877 201 A HA -0.171 4.150 4.320 0.002 0.000 0.216 201 A C 2.381 179.853 177.584 -0.187 0.000 1.186 201 A CA 2.142 54.169 52.037 -0.017 0.000 0.620 201 A CB -0.724 18.307 19.000 0.053 0.000 0.822 201 A HN 0.347 nan 8.150 nan 0.000 0.443 202 V N -0.366 119.497 119.914 -0.086 0.000 2.407 202 V HA -0.225 3.896 4.120 0.002 0.000 0.248 202 V C 2.544 178.540 176.094 -0.163 0.000 1.055 202 V CA 1.955 64.185 62.300 -0.117 0.000 1.049 202 V CB -0.745 31.084 31.823 0.009 0.000 0.662 202 V HN 0.376 nan 8.190 nan 0.000 0.455 203 V N 0.267 120.121 119.914 -0.099 0.000 2.358 203 V HA -0.207 3.914 4.120 0.002 0.000 0.246 203 V C 2.691 178.696 176.094 -0.148 0.000 1.047 203 V CA 1.854 64.102 62.300 -0.087 0.000 1.035 203 V CB -1.035 30.774 31.823 -0.023 0.000 0.658 203 V HN 0.554 nan 8.190 nan 0.000 0.452 204 A N -0.224 122.477 122.820 -0.200 0.000 1.933 204 A HA -0.251 4.070 4.320 0.002 0.000 0.218 204 A C 2.355 179.623 177.584 -0.526 0.000 1.175 204 A CA 2.114 54.012 52.037 -0.232 0.000 0.628 204 A CB -0.444 18.509 19.000 -0.079 0.000 0.814 204 A HN 0.519 nan 8.150 nan 0.000 0.444 205 K N -0.043 119.778 120.400 -0.966 0.000 2.025 205 K HA -0.147 4.174 4.320 0.002 0.000 0.207 205 K C 1.924 178.320 176.600 -0.341 0.000 1.049 205 K CA 1.688 57.387 56.287 -0.980 0.000 0.933 205 K CB -0.189 31.799 32.500 -0.853 0.000 0.714 205 K HN 0.447 nan 8.250 nan 0.000 0.438 206 K N -0.355 119.899 120.400 -0.243 0.000 2.116 206 K HA -0.037 4.284 4.320 0.002 0.000 0.203 206 K C 1.190 177.742 176.600 -0.080 0.000 1.052 206 K CA 0.946 57.159 56.287 -0.124 0.000 0.952 206 K CB 0.296 32.738 32.500 -0.097 0.000 0.729 206 K HN 0.140 nan 8.250 nan 0.000 0.446 207 E N -0.539 119.613 120.200 -0.081 0.000 2.676 207 E HA 0.126 4.476 4.350 0.002 0.000 0.225 207 E C 0.680 177.267 176.600 -0.022 0.000 0.944 207 E CA 0.340 56.716 56.400 -0.040 0.000 1.156 207 E CB 1.148 30.830 29.700 -0.031 0.000 1.117 207 E HN 0.321 nan 8.360 nan 0.000 0.523 208 G N 2.675 111.458 108.800 -0.028 0.000 2.578 208 G HA2 -0.439 3.522 3.960 0.002 0.000 0.275 208 G HA3 -0.439 3.522 3.960 0.002 0.000 0.275 208 G C 0.912 175.826 174.900 0.024 0.000 1.271 208 G CA 0.749 45.860 45.100 0.018 0.000 0.941 208 G HN 0.291 nan 8.290 nan 0.000 0.564 209 E N 0.594 120.818 120.200 0.039 0.000 2.070 209 E HA -0.198 4.153 4.350 0.002 0.000 0.197 209 E C 2.570 179.185 176.600 0.026 0.000 1.004 209 E CA 2.589 59.011 56.400 0.037 0.000 0.805 209 E CB -0.292 29.431 29.700 0.037 0.000 0.744 209 E HN 0.678 nan 8.360 nan 0.000 0.451 210 E N -0.400 119.811 120.200 0.019 0.000 2.110 210 E HA -0.161 4.190 4.350 0.002 0.000 0.193 210 E C 2.217 178.824 176.600 0.012 0.000 0.988 210 E CA 1.380 57.788 56.400 0.015 0.000 0.804 210 E CB -0.877 28.830 29.700 0.011 0.000 0.745 210 E HN 0.375 nan 8.360 nan 0.000 0.458 211 G N 1.553 110.357 108.800 0.006 0.000 2.422 211 G HA2 -0.121 3.840 3.960 0.002 0.000 0.218 211 G HA3 -0.121 3.840 3.960 0.002 0.000 0.218 211 G C 1.773 176.679 174.900 0.009 0.000 1.140 211 G CA 0.540 45.641 45.100 0.002 0.000 0.775 211 G HN 0.170 nan 8.290 nan 0.000 0.545 212 L N -0.515 120.718 121.223 0.016 0.000 2.109 212 L HA 0.067 4.408 4.340 0.002 0.000 0.207 212 L C 3.091 179.980 176.870 0.031 0.000 1.086 212 L CA 0.607 55.463 54.840 0.027 0.000 0.760 212 L CB -0.245 41.836 42.059 0.036 0.000 0.910 212 L HN 0.111 nan 8.230 nan 0.000 0.437 213 R N 0.038 120.554 120.500 0.027 0.000 2.115 213 R HA -0.156 4.184 4.340 0.002 0.000 0.230 213 R C 2.136 178.450 176.300 0.024 0.000 1.111 213 R CA 1.002 57.118 56.100 0.026 0.000 0.976 213 R CB -0.117 30.197 30.300 0.023 0.000 0.870 213 R HN 0.206 nan 8.270 nan 0.000 0.445 214 K N 0.197 120.610 120.400 0.020 0.000 2.432 214 K HA 0.056 4.377 4.320 0.002 0.000 0.196 214 K C 0.201 176.814 176.600 0.022 0.000 1.038 214 K CA 0.169 56.467 56.287 0.018 0.000 0.986 214 K CB 0.206 32.714 32.500 0.013 0.000 0.782 214 K HN 0.082 nan 8.250 nan 0.000 0.485 215 M N 1.791 121.406 119.600 0.026 0.000 2.239 215 M HA 0.052 4.533 4.480 0.002 0.000 0.348 215 M C -0.286 176.034 176.300 0.032 0.000 1.239 215 M CA 0.904 56.221 55.300 0.030 0.000 1.114 215 M CB 0.788 33.409 32.600 0.035 0.000 1.641 215 M HN -0.146 nan 8.290 nan 0.000 0.453 216 K N 2.388 122.809 120.400 0.035 0.000 2.350 216 K HA 0.622 4.943 4.320 0.002 0.000 0.241 216 K C -0.853 175.774 176.600 0.044 0.000 0.994 216 K CA -0.897 55.419 56.287 0.048 0.000 0.839 216 K CB 2.080 34.619 32.500 0.064 0.000 1.244 216 K HN 0.539 nan 8.250 nan 0.000 0.443 217 I N 2.754 123.365 120.570 0.069 0.000 2.683 217 I HA -0.073 4.098 4.170 0.002 0.000 0.286 217 I C 0.446 176.572 176.117 0.014 0.000 1.175 217 I CA 0.576 61.902 61.300 0.043 0.000 1.429 217 I CB 0.096 38.159 38.000 0.104 0.000 1.371 217 I HN 0.565 nan 8.210 nan 0.000 0.569 218 E N 6.891 127.024 120.200 -0.112 0.000 2.238 218 E HA 0.534 4.885 4.350 0.002 0.000 0.267 218 E C -0.805 175.610 176.600 -0.309 0.000 0.887 218 E CA -0.937 55.337 56.400 -0.211 0.000 0.769 218 E CB 2.084 31.726 29.700 -0.095 0.000 1.187 218 E HN 0.401 nan 8.360 nan 0.000 0.416 219 I N 2.802 123.085 120.570 -0.479 0.000 2.683 219 I HA -0.075 4.095 4.170 0.002 0.000 0.286 219 I C 0.149 176.098 176.117 -0.281 0.000 1.175 219 I CA 0.650 61.696 61.300 -0.424 0.000 1.429 219 I CB -0.520 37.122 38.000 -0.597 0.000 1.371 219 I HN 0.866 nan 8.210 nan 0.000 0.569 220 H N 2.327 121.321 119.070 -0.127 0.000 3.636 220 H HA -0.115 4.442 4.556 0.001 0.000 0.179 220 H C -0.321 174.796 175.328 -0.352 0.000 0.968 220 H CA 0.471 56.371 56.048 -0.246 0.000 1.220 220 H CB -1.320 28.414 29.762 -0.045 0.000 1.023 220 H HN 0.462 nan 8.280 nan 0.000 0.366 221 I N 3.766 124.093 120.570 -0.405 0.000 2.330 221 I HA 0.255 4.426 4.170 0.002 0.000 0.289 221 I C -2.107 173.556 176.117 -0.756 0.000 1.001 221 I CA -1.935 58.967 61.300 -0.665 0.000 1.193 221 I CB 1.299 39.020 38.000 -0.466 0.000 1.345 221 I HN -0.153 nan 8.210 nan 0.000 0.461 222 P HA 0.040 nan 4.420 nan 0.000 0.271 222 P C -0.598 176.395 177.300 -0.513 0.000 1.216 222 P CA -0.041 62.528 63.100 -0.885 0.000 0.776 222 P CB 1.627 32.496 31.700 -1.385 0.000 0.881 223 V N 3.129 122.912 119.914 -0.218 0.000 2.581 223 V HA 0.516 4.637 4.120 0.002 0.000 0.303 223 V C 0.163 176.214 176.094 -0.073 0.000 1.041 223 V CA -1.252 60.965 62.300 -0.138 0.000 0.907 223 V CB 1.463 33.255 31.823 -0.053 0.000 0.994 223 V HN 0.318 nan 8.190 nan 0.000 0.442 224 R N 4.943 125.393 120.500 -0.083 0.000 2.484 224 R HA 0.309 4.650 4.340 0.002 0.000 0.293 224 R C 0.175 176.508 176.300 0.056 0.000 1.023 224 R CA 0.446 56.519 56.100 -0.045 0.000 1.037 224 R CB -0.037 30.204 30.300 -0.098 0.000 0.951 224 R HN 0.859 nan 8.270 nan 0.000 0.418 225 M N 4.039 123.695 119.600 0.094 0.000 2.248 225 M HA 0.090 4.570 4.480 0.002 0.000 0.337 225 M C 0.709 177.002 176.300 -0.012 0.000 1.121 225 M CA 0.474 55.883 55.300 0.182 0.000 1.155 225 M CB 0.760 33.498 32.600 0.230 0.000 1.514 225 M HN 0.493 nan 8.290 nan 0.000 0.452 226 M N 3.635 123.078 119.600 -0.262 0.000 2.239 226 M HA 0.308 4.789 4.480 0.002 0.000 0.348 226 M C -1.468 174.562 176.300 -0.450 0.000 1.239 226 M CA 0.297 55.154 55.300 -0.739 0.000 1.114 226 M CB 0.379 31.921 32.600 -1.762 0.000 1.641 226 M HN 0.573 nan 8.290 nan 0.000 0.453 227 L N 4.248 125.268 121.223 -0.339 0.000 2.330 227 L HA 0.810 5.151 4.340 0.002 0.000 0.271 227 L C -0.302 176.537 176.870 -0.052 0.000 1.013 227 L CA -1.046 53.740 54.840 -0.091 0.000 0.816 227 L CB 1.815 43.851 42.059 -0.039 0.000 1.287 227 L HN 0.807 nan 8.230 nan 0.000 0.435 228 A N 1.702 124.596 122.820 0.124 0.000 2.325 228 A HA 0.589 4.909 4.320 0.002 0.000 0.333 228 A C -0.646 176.986 177.584 0.079 0.000 1.155 228 A CA -0.529 51.607 52.037 0.165 0.000 0.814 228 A CB 1.043 20.203 19.000 0.267 0.000 1.206 228 A HN 0.745 nan 8.150 nan 0.000 0.482 229 Q N 0.284 120.123 119.800 0.065 0.000 2.306 229 Q HA 0.421 4.762 4.340 0.002 0.000 0.241 229 Q C -0.626 175.394 176.000 0.033 0.000 0.948 229 Q CA -0.581 55.245 55.803 0.038 0.000 0.886 229 Q CB 1.526 30.281 28.738 0.028 0.000 1.227 229 Q HN 0.530 nan 8.270 nan 0.000 0.457 230 V N 2.048 121.973 119.914 0.018 0.000 2.470 230 V HA 0.212 4.333 4.120 0.002 0.000 0.276 230 V C 0.191 176.284 176.094 -0.003 0.000 1.040 230 V CA -0.343 61.960 62.300 0.006 0.000 1.008 230 V CB 0.523 32.346 31.823 0.001 0.000 0.990 230 V HN 0.812 nan 8.190 nan 0.000 0.477 231 A N 3.872 126.685 122.820 -0.011 0.000 2.340 231 A HA 0.392 4.713 4.320 0.002 0.000 0.268 231 A C 1.060 178.623 177.584 -0.035 0.000 1.100 231 A CA -0.392 51.631 52.037 -0.022 0.000 0.803 231 A CB 0.258 19.238 19.000 -0.033 0.000 1.043 231 A HN 0.946 nan 8.150 nan 0.000 0.488 232 E N 0.796 120.975 120.200 -0.036 0.000 2.051 232 E HA -0.051 4.300 4.350 0.002 0.000 0.192 232 E C 0.705 177.269 176.600 -0.059 0.000 0.991 232 E CA 1.491 57.865 56.400 -0.044 0.000 0.799 232 E CB -0.103 29.576 29.700 -0.035 0.000 0.748 232 E HN 0.767 nan 8.360 nan 0.000 0.449 233 S N -1.470 114.188 115.700 -0.070 0.000 2.625 233 S HA 0.239 4.710 4.470 0.002 0.000 0.271 233 S C 0.355 174.879 174.600 -0.128 0.000 1.161 233 S CA -0.912 57.226 58.200 -0.103 0.000 0.820 233 S CB 1.330 64.477 63.200 -0.089 0.000 1.137 233 S HN 0.136 nan 8.310 nan 0.000 0.470 234 L N 1.188 122.292 121.223 -0.199 0.000 2.012 234 L HA -0.082 4.259 4.340 0.002 0.000 0.210 234 L C 2.660 179.448 176.870 -0.137 0.000 1.073 234 L CA 2.244 56.951 54.840 -0.222 0.000 0.748 234 L CB -0.449 41.390 42.059 -0.367 0.000 0.891 234 L HN 0.950 nan 8.230 nan 0.000 0.431 235 E N -0.590 119.541 120.200 -0.115 0.000 2.358 235 E HA -0.133 4.218 4.350 0.002 0.000 0.195 235 E C 1.928 178.495 176.600 -0.054 0.000 1.010 235 E CA 1.159 57.514 56.400 -0.076 0.000 0.856 235 E CB -0.368 29.293 29.700 -0.065 0.000 0.795 235 E HN 0.671 nan 8.360 nan 0.000 0.504 236 S N 1.268 116.935 115.700 -0.054 0.000 2.395 236 S HA 0.150 4.621 4.470 0.002 0.000 0.225 236 S C 2.312 176.893 174.600 -0.031 0.000 1.027 236 S CA 0.616 58.795 58.200 -0.036 0.000 0.965 236 S CB -0.162 63.019 63.200 -0.033 0.000 0.812 236 S HN 0.356 nan 8.310 nan 0.000 0.482 237 A N 1.315 124.110 122.820 -0.041 0.000 1.873 237 A HA 0.113 4.434 4.320 0.002 0.000 0.215 237 A C 2.211 179.779 177.584 -0.025 0.000 1.186 237 A CA 1.515 53.534 52.037 -0.030 0.000 0.616 237 A CB -1.107 17.868 19.000 -0.042 0.000 0.823 237 A HN 0.567 nan 8.150 nan 0.000 0.442 238 V N 0.926 120.817 119.914 -0.037 0.000 3.636 238 V HA 0.002 4.123 4.120 0.002 0.000 0.279 238 V C 1.976 178.057 176.094 -0.021 0.000 1.263 238 V CA 1.448 63.731 62.300 -0.030 0.000 1.182 238 V CB -1.102 30.697 31.823 -0.040 0.000 0.955 238 V HN 0.777 nan 8.190 nan 0.000 0.443 239 R N -1.201 119.288 120.500 -0.018 0.000 2.310 239 R HA 0.201 4.542 4.340 0.002 0.000 0.199 239 R C 1.938 178.235 176.300 -0.004 0.000 0.891 239 R CA 0.660 56.754 56.100 -0.011 0.000 1.060 239 R CB -0.436 29.856 30.300 -0.014 0.000 1.188 239 R HN 0.461 nan 8.270 nan 0.000 0.607 240 E N 1.617 121.815 120.200 -0.003 0.000 2.031 240 E HA -0.080 4.271 4.350 0.002 0.000 0.193 240 E C 0.048 176.653 176.600 0.009 0.000 0.994 240 E CA 1.063 57.465 56.400 0.004 0.000 0.800 240 E CB 0.024 29.728 29.700 0.007 0.000 0.752 240 E HN 0.292 nan 8.360 nan 0.000 0.447 241 M N 1.097 120.703 119.600 0.010 0.000 2.185 241 M HA 0.174 4.655 4.480 0.002 0.000 0.357 241 M C 1.039 177.343 176.300 0.006 0.000 1.260 241 M CA -0.421 54.887 55.300 0.013 0.000 1.124 241 M CB 1.269 33.880 32.600 0.018 0.000 1.600 241 M HN -0.028 nan 8.290 nan 0.000 0.467 242 R N 1.107 121.612 120.500 0.007 0.000 2.052 242 R HA 0.093 4.434 4.340 0.002 0.000 0.226 242 R C 0.391 176.693 176.300 0.002 0.000 1.145 242 R CA 1.027 57.129 56.100 0.004 0.000 0.952 242 R CB -0.460 29.843 30.300 0.005 0.000 0.847 242 R HN 0.594 nan 8.270 nan 0.000 0.431 243 T N 0.933 115.490 114.554 0.006 0.000 2.867 243 T HA 0.652 5.003 4.350 0.002 0.000 0.282 243 T C -0.549 174.155 174.700 0.007 0.000 1.000 243 T CA -0.543 61.560 62.100 0.005 0.000 1.042 243 T CB 1.967 70.839 68.868 0.007 0.000 0.973 243 T HN 0.298 nan 8.240 nan 0.000 0.465 244 A N 1.521 124.342 122.820 0.001 0.000 2.486 244 A HA 0.824 5.144 4.320 0.002 0.000 0.300 244 A C -0.424 177.154 177.584 -0.009 0.000 1.048 244 A CA -0.955 51.081 52.037 -0.002 0.000 0.696 244 A CB 1.205 20.199 19.000 -0.009 0.000 1.278 244 A HN 1.053 nan 8.150 nan 0.000 0.405 245 A N 1.339 124.150 122.820 -0.015 0.000 2.362 245 A HA 0.592 4.913 4.320 0.002 0.000 0.276 245 A C -0.326 177.222 177.584 -0.059 0.000 1.153 245 A CA -0.164 51.855 52.037 -0.031 0.000 0.813 245 A CB -0.069 18.913 19.000 -0.030 0.000 1.081 245 A HN 1.319 nan 8.150 nan 0.000 0.507 246 V N 3.404 123.290 119.914 -0.047 0.000 2.540 246 V HA 0.499 4.620 4.120 0.002 0.000 0.302 246 V C -0.173 175.896 176.094 -0.043 0.000 1.035 246 V CA -0.477 61.794 62.300 -0.047 0.000 0.873 246 V CB 1.449 33.265 31.823 -0.012 0.000 0.992 246 V HN 1.052 nan 8.190 nan 0.000 0.428 247 E N 1.895 122.054 120.200 -0.068 0.000 2.392 247 E HA 0.474 4.825 4.350 0.002 0.000 0.269 247 E C -1.463 175.135 176.600 -0.004 0.000 0.924 247 E CA -0.832 55.533 56.400 -0.059 0.000 0.784 247 E CB 1.803 31.433 29.700 -0.117 0.000 1.292 247 E HN 0.548 nan 8.360 nan 0.000 0.447 248 W N 1.804 122.875 121.300 -0.382 0.000 2.181 248 W HA 0.154 4.817 4.660 0.006 0.000 0.335 248 W C 0.415 176.497 176.519 -0.729 0.000 1.310 248 W CA -0.234 56.731 57.345 -0.632 0.000 1.226 248 W CB 0.165 28.995 29.460 -1.050 0.000 1.155 248 W HN 0.263 nan 8.180 nan 0.000 0.565 249 K N 3.845 124.018 120.400 -0.378 0.000 2.264 249 K HA 0.287 4.608 4.320 0.002 0.000 0.277 249 K C -0.799 175.579 176.600 -0.369 0.000 1.067 249 K CA -0.476 55.615 56.287 -0.327 0.000 0.900 249 K CB 0.005 32.395 32.500 -0.184 0.000 1.124 249 K HN 0.135 nan 8.250 nan 0.000 0.469 250 F N 1.986 121.858 119.950 -0.129 0.000 2.429 250 F HA 0.041 4.568 4.527 0.001 0.000 0.348 250 F C 1.064 176.886 175.800 0.037 0.000 1.109 250 F CA -0.419 57.491 58.000 -0.151 0.000 1.232 250 F CB 0.520 39.367 39.000 -0.256 0.000 1.157 250 F HN 0.488 nan 8.300 nan 0.000 0.564 251 D N 2.028 122.700 120.400 0.453 0.000 2.435 251 D HA 0.414 5.055 4.640 0.002 0.000 0.230 251 D C 0.093 176.551 176.300 0.263 0.000 1.215 251 D CA 0.386 54.536 54.000 0.251 0.000 0.947 251 D CB -0.115 40.780 40.800 0.158 0.000 1.048 251 D HN 0.689 nan 8.370 nan 0.000 0.512 252 G N 0.814 109.729 108.800 0.191 0.000 2.570 252 G HA2 0.439 4.400 3.960 0.002 0.000 0.310 252 G HA3 0.439 4.400 3.960 0.002 0.000 0.310 252 G C -1.388 173.596 174.900 0.140 0.000 1.266 252 G CA -0.616 44.589 45.100 0.175 0.000 0.825 252 G HN 0.198 nan 8.290 nan 0.000 0.483 253 S N -0.229 115.547 115.700 0.126 0.000 2.478 253 S HA 0.546 5.017 4.470 0.002 0.000 0.312 253 S C 0.063 174.801 174.600 0.229 0.000 1.094 253 S CA -0.632 57.666 58.200 0.164 0.000 1.081 253 S CB 1.795 65.051 63.200 0.095 0.000 1.007 253 S HN 0.645 nan 8.310 nan 0.000 0.475 254 R N 2.173 122.824 120.500 0.253 0.000 2.537 254 R HA 0.410 4.750 4.340 0.002 0.000 0.280 254 R C -0.258 176.224 176.300 0.304 0.000 1.058 254 R CA -0.067 56.211 56.100 0.296 0.000 1.057 254 R CB 0.194 30.685 30.300 0.317 0.000 0.973 254 R HN 0.562 nan 8.270 nan 0.000 0.438 255 V N 0.474 120.545 119.914 0.262 0.000 3.130 255 V HA 0.511 4.632 4.120 0.002 0.000 0.310 255 V C -1.350 174.872 176.094 0.214 0.000 1.158 255 V CA -1.012 61.432 62.300 0.239 0.000 1.029 255 V CB 2.003 33.958 31.823 0.219 0.000 1.057 255 V HN 0.829 nan 8.190 nan 0.000 0.436 256 Q N 0.973 120.916 119.800 0.238 0.000 2.321 256 Q HA 0.733 5.074 4.340 0.002 0.000 0.270 256 Q C -2.051 174.105 176.000 0.261 0.000 1.032 256 Q CA -0.591 55.340 55.803 0.213 0.000 0.784 256 Q CB 2.398 31.278 28.738 0.236 0.000 1.264 256 Q HN 0.829 nan 8.270 nan 0.000 0.448 257 V N 4.682 124.673 119.914 0.129 0.000 2.417 257 V HA 0.405 4.526 4.120 0.002 0.000 0.291 257 V C -0.606 175.468 176.094 -0.034 0.000 1.024 257 V CA -0.569 61.807 62.300 0.127 0.000 0.861 257 V CB 1.500 33.403 31.823 0.135 0.000 0.985 257 V HN 0.769 nan 8.190 nan 0.000 0.436 258 H N 4.817 123.922 119.070 0.058 0.000 2.505 258 H HA 0.423 4.980 4.556 0.002 0.000 0.338 258 H C -1.131 174.235 175.328 0.065 0.000 1.057 258 H CA -0.438 55.581 56.048 -0.049 0.000 1.202 258 H CB 2.066 31.733 29.762 -0.158 0.000 1.466 258 H HN 0.806 nan 8.280 nan 0.000 0.499 259 W N 5.506 126.719 121.300 -0.146 0.000 4.294 259 W HA 0.133 4.791 4.660 -0.004 0.000 0.266 259 W C -1.907 174.571 176.519 -0.070 0.000 1.296 259 W CA -0.330 56.982 57.345 -0.055 0.000 1.302 259 W CB 1.369 30.819 29.460 -0.017 0.000 1.188 259 W HN 0.750 nan 8.180 nan 0.000 0.519 260 D N 2.848 122.825 120.400 -0.705 0.000 1.834 260 D HA 0.117 4.758 4.640 0.002 0.000 0.070 260 D C -0.054 175.944 176.300 -0.502 0.000 1.470 260 D CA 1.121 54.844 54.000 -0.461 0.000 0.696 260 D CB -0.382 40.317 40.800 -0.168 0.000 3.186 260 D HN 0.565 nan 8.370 nan 0.000 0.193 261 G N 0.259 108.625 108.800 -0.724 0.000 4.782 261 G HA2 0.517 4.478 3.960 0.002 0.000 0.327 261 G HA3 0.517 4.478 3.960 0.002 0.000 0.327 261 G C -0.108 174.286 174.900 -0.843 0.000 1.466 261 G CA 0.240 44.404 45.100 -1.562 0.000 1.017 261 G HN 0.174 nan 8.290 nan 0.000 0.543 262 S N 0.031 115.539 115.700 -0.320 0.000 2.619 262 S HA 0.239 4.710 4.470 0.002 0.000 0.238 262 S C 0.817 175.533 174.600 0.193 0.000 1.068 262 S CA -0.284 57.912 58.200 -0.008 0.000 0.926 262 S CB 0.601 63.784 63.200 -0.029 0.000 0.864 262 S HN 0.778 nan 8.310 nan 0.000 0.493 263 R N 0.043 120.703 120.500 0.267 0.000 2.739 263 R HA 0.774 5.115 4.340 0.002 0.000 0.271 263 R C -1.992 174.642 176.300 0.557 0.000 1.010 263 R CA -0.793 55.496 56.100 0.315 0.000 0.897 263 R CB 1.185 31.514 30.300 0.048 0.000 1.236 263 R HN -0.067 nan 8.270 nan 0.000 0.466 264 V N 1.353 121.493 119.914 0.376 0.000 2.513 264 V HA 0.577 4.698 4.120 0.002 0.000 0.299 264 V C -0.297 175.921 176.094 0.207 0.000 1.035 264 V CA -0.490 62.016 62.300 0.343 0.000 0.889 264 V CB 1.893 33.773 31.823 0.094 0.000 0.988 264 V HN 0.987 nan 8.190 nan 0.000 0.440 265 T N 2.623 117.343 114.554 0.277 0.000 2.856 265 T HA 0.823 5.174 4.350 0.002 0.000 0.283 265 T C -0.765 173.912 174.700 -0.038 0.000 1.008 265 T CA -0.572 61.548 62.100 0.034 0.000 0.997 265 T CB 1.666 70.532 68.868 -0.003 0.000 0.992 265 T HN 0.359 nan 8.240 nan 0.000 0.454 266 I N 2.489 122.914 120.570 -0.241 0.000 2.436 266 I HA 0.412 4.583 4.170 0.002 0.000 0.289 266 I C -1.205 174.686 176.117 -0.377 0.000 1.010 266 I CA -1.114 60.092 61.300 -0.157 0.000 1.098 266 I CB 1.516 39.471 38.000 -0.074 0.000 1.266 266 I HN 0.639 nan 8.210 nan 0.000 0.434 267 Y N 3.592 123.936 120.300 0.072 0.000 2.409 267 Y HA 0.424 4.975 4.550 0.001 0.000 0.339 267 Y C 0.887 176.807 175.900 0.033 0.000 1.033 267 Y CA -0.587 57.537 58.100 0.041 0.000 1.094 267 Y CB 1.958 40.464 38.460 0.077 0.000 1.210 267 Y HN 0.621 nan 8.280 nan 0.000 0.456 268 S N 1.634 117.420 115.700 0.142 0.000 2.652 268 S HA 0.241 4.711 4.470 0.002 0.000 0.267 268 S C 1.366 176.105 174.600 0.232 0.000 1.201 268 S CA -0.523 57.770 58.200 0.155 0.000 0.996 268 S CB 0.867 64.122 63.200 0.090 0.000 1.054 268 S HN 0.774 nan 8.310 nan 0.000 0.561 269 R N 0.903 121.556 120.500 0.256 0.000 2.105 269 R HA -0.025 4.316 4.340 0.002 0.000 0.239 269 R C 1.523 177.931 176.300 0.179 0.000 1.135 269 R CA 1.612 57.844 56.100 0.220 0.000 0.967 269 R CB -0.387 30.042 30.300 0.215 0.000 0.861 269 R HN 0.622 nan 8.270 nan 0.000 0.442 270 R N 0.880 121.489 120.500 0.182 0.000 2.388 270 R HA 0.226 4.567 4.340 0.002 0.000 0.247 270 R C 0.371 176.772 176.300 0.168 0.000 0.931 270 R CA 0.057 56.252 56.100 0.158 0.000 1.082 270 R CB -0.585 29.809 30.300 0.155 0.000 1.135 270 R HN 0.337 nan 8.270 nan 0.000 0.525 271 L N 1.259 122.595 121.223 0.190 0.000 3.608 271 L HA -0.214 4.127 4.340 0.002 0.000 0.422 271 L C 0.231 177.304 176.870 0.337 0.000 1.260 271 L CA 0.581 55.562 54.840 0.235 0.000 0.889 271 L CB -1.386 40.731 42.059 0.097 0.000 1.821 271 L HN 0.357 nan 8.230 nan 0.000 0.884 272 E N 1.363 121.714 120.200 0.252 0.000 2.338 272 E HA 0.098 4.449 4.350 0.002 0.000 0.272 272 E C 0.364 177.066 176.600 0.171 0.000 1.029 272 E CA -0.468 56.050 56.400 0.196 0.000 0.872 272 E CB 0.732 30.488 29.700 0.094 0.000 1.015 272 E HN 0.321 nan 8.360 nan 0.000 0.417 273 N N 3.436 122.222 118.700 0.144 0.000 2.406 273 N HA 0.002 4.743 4.740 0.002 0.000 0.265 273 N C 0.398 175.808 175.510 -0.167 0.000 1.203 273 N CA -0.256 52.734 53.050 -0.100 0.000 0.945 273 N CB 0.468 38.934 38.487 -0.035 0.000 1.165 273 N HN 0.316 nan 8.380 nan 0.000 0.485 274 V N 0.518 120.265 119.914 -0.279 0.000 3.214 274 V HA 0.157 4.278 4.120 0.002 0.000 0.330 274 V C 1.350 177.307 176.094 -0.227 0.000 1.403 274 V CA -0.191 61.916 62.300 -0.321 0.000 1.143 274 V CB -0.035 31.345 31.823 -0.738 0.000 1.098 274 V HN 0.513 nan 8.190 nan 0.000 0.463 275 T N 1.702 116.137 114.554 -0.198 0.000 2.684 275 T HA -0.173 4.178 4.350 0.002 0.000 0.267 275 T C 1.742 176.396 174.700 -0.077 0.000 1.036 275 T CA 2.432 64.453 62.100 -0.132 0.000 1.148 275 T CB -0.413 68.374 68.868 -0.136 0.000 0.863 275 T HN 0.561 nan 8.240 nan 0.000 0.436 276 N N 1.422 120.081 118.700 -0.069 0.000 2.381 276 N HA 0.086 4.827 4.740 0.002 0.000 0.182 276 N C 1.828 177.326 175.510 -0.019 0.000 1.025 276 N CA 0.884 53.911 53.050 -0.039 0.000 0.888 276 N CB -0.385 38.081 38.487 -0.035 0.000 0.965 276 N HN 0.465 nan 8.380 nan 0.000 0.438 277 A N 0.073 122.881 122.820 -0.019 0.000 2.119 277 A HA 0.133 4.454 4.320 0.002 0.000 0.216 277 A C 1.085 178.701 177.584 0.053 0.000 1.152 277 A CA 0.433 52.486 52.037 0.027 0.000 0.708 277 A CB -0.031 19.002 19.000 0.054 0.000 0.805 277 A HN 0.203 nan 8.150 nan 0.000 0.460 278 L N 0.202 121.441 121.223 0.026 0.000 2.999 278 L HA 0.222 4.563 4.340 0.002 0.000 0.263 278 L C -1.783 175.093 176.870 0.010 0.000 1.320 278 L CA -1.289 53.577 54.840 0.043 0.000 0.913 278 L CB 0.781 42.879 42.059 0.065 0.000 1.296 278 L HN 0.101 nan 8.230 nan 0.000 0.546 279 P HA -0.200 nan 4.420 nan 0.000 0.216 279 P C 0.891 178.182 177.300 -0.015 0.000 1.150 279 P CA 1.460 64.554 63.100 -0.011 0.000 0.837 279 P CB 0.187 31.883 31.700 -0.007 0.000 0.786 280 D N 0.285 120.683 120.400 -0.004 0.000 2.097 280 D HA -0.168 4.473 4.640 0.002 0.000 0.195 280 D C 1.969 178.258 176.300 -0.018 0.000 0.989 280 D CA 1.119 55.114 54.000 -0.009 0.000 0.827 280 D CB -1.102 39.699 40.800 0.002 0.000 0.966 280 D HN 0.100 nan 8.370 nan 0.000 0.456 281 I N 0.869 121.436 120.570 -0.006 0.000 2.286 281 I HA -0.149 4.022 4.170 0.002 0.000 0.245 281 I C 2.766 178.859 176.117 -0.039 0.000 1.104 281 I CA 0.334 61.629 61.300 -0.009 0.000 1.397 281 I CB -0.966 37.048 38.000 0.024 0.000 1.072 281 I HN -0.036 nan 8.210 nan 0.000 0.417 282 V N 1.073 120.959 119.914 -0.047 0.000 2.252 282 V HA -0.281 3.840 4.120 0.002 0.000 0.249 282 V C 2.641 178.640 176.094 -0.158 0.000 1.056 282 V CA 1.844 64.087 62.300 -0.095 0.000 1.022 282 V CB -0.598 31.186 31.823 -0.064 0.000 0.641 282 V HN 0.375 nan 8.190 nan 0.000 0.445 283 E N -0.304 119.830 120.200 -0.110 0.000 2.077 283 E HA -0.194 4.157 4.350 0.002 0.000 0.193 283 E C 2.289 178.806 176.600 -0.138 0.000 0.989 283 E CA 1.085 57.415 56.400 -0.117 0.000 0.800 283 E CB -0.298 29.362 29.700 -0.067 0.000 0.746 283 E HN 0.634 nan 8.360 nan 0.000 0.452 284 E N 0.382 120.518 120.200 -0.107 0.000 2.150 284 E HA -0.113 4.238 4.350 0.002 0.000 0.193 284 E C 2.324 178.842 176.600 -0.137 0.000 0.985 284 E CA 0.403 56.746 56.400 -0.094 0.000 0.814 284 E CB -0.211 29.455 29.700 -0.056 0.000 0.752 284 E HN 0.324 nan 8.360 nan 0.000 0.466 285 I N 1.229 121.679 120.570 -0.199 0.000 2.252 285 I HA -0.265 3.906 4.170 0.002 0.000 0.245 285 I C 2.313 178.060 176.117 -0.618 0.000 1.102 285 I CA 1.201 62.298 61.300 -0.339 0.000 1.385 285 I CB -0.073 37.719 38.000 -0.346 0.000 1.064 285 I HN -0.006 nan 8.210 nan 0.000 0.414 286 K N 0.965 120.949 120.400 -0.693 0.000 2.147 286 K HA -0.199 4.122 4.320 0.002 0.000 0.205 286 K C 1.970 178.426 176.600 -0.240 0.000 1.049 286 K CA 1.487 57.326 56.287 -0.746 0.000 0.936 286 K CB -0.098 32.097 32.500 -0.508 0.000 0.722 286 K HN 0.465 nan 8.250 nan 0.000 0.446 287 K N -0.577 119.726 120.400 -0.162 0.000 2.284 287 K HA 0.144 4.465 4.320 0.002 0.000 0.198 287 K C 1.662 178.241 176.600 -0.034 0.000 1.048 287 K CA 0.876 57.129 56.287 -0.055 0.000 0.987 287 K CB 0.405 32.881 32.500 -0.041 0.000 0.800 287 K HN -0.164 nan 8.250 nan 0.000 0.486 288 S N 0.895 116.555 115.700 -0.067 0.000 2.497 288 S HA 0.082 4.553 4.470 0.002 0.000 0.218 288 S C 0.527 175.115 174.600 -0.020 0.000 1.023 288 S CA -0.051 58.129 58.200 -0.033 0.000 0.913 288 S CB 0.657 63.839 63.200 -0.030 0.000 0.800 288 S HN 0.321 nan 8.310 nan 0.000 0.505 289 V N 0.891 120.780 119.914 -0.042 0.000 2.581 289 V HA 0.574 4.695 4.120 0.002 0.000 0.303 289 V C -0.349 175.882 176.094 0.228 0.000 1.041 289 V CA -1.144 61.166 62.300 0.016 0.000 0.907 289 V CB 1.582 33.339 31.823 -0.110 0.000 0.994 289 V HN 0.008 nan 8.190 nan 0.000 0.442 290 K N 4.936 125.443 120.400 0.177 0.000 2.416 290 K HA 0.346 4.667 4.320 0.002 0.000 0.283 290 K C -2.473 174.249 176.600 0.204 0.000 1.037 290 K CA -1.322 55.072 56.287 0.178 0.000 0.995 290 K CB 0.949 33.509 32.500 0.098 0.000 0.938 290 K HN 0.607 nan 8.250 nan 0.000 0.475 291 P HA 0.055 nan 4.420 nan 0.000 0.269 291 P C -0.069 177.059 177.300 -0.287 0.000 1.215 291 P CA 0.363 63.196 63.100 -0.445 0.000 0.780 291 P CB 0.505 31.868 31.700 -0.562 0.000 0.898 292 G N -0.131 108.470 108.800 -0.330 0.000 2.164 292 G HA2 -0.007 3.953 3.960 0.002 0.000 0.212 292 G HA3 -0.007 3.953 3.960 0.002 0.000 0.212 292 G C -0.163 174.754 174.900 0.029 0.000 1.031 292 G CA -0.041 44.977 45.100 -0.136 0.000 0.730 292 G HN 0.679 nan 8.290 nan 0.000 0.501 293 V N -2.454 117.475 119.914 0.025 0.000 3.074 293 V HA 0.924 5.045 4.120 0.002 0.000 0.314 293 V C 0.046 176.118 176.094 -0.038 0.000 1.117 293 V CA -1.825 60.524 62.300 0.083 0.000 1.014 293 V CB 2.407 34.258 31.823 0.046 0.000 1.057 293 V HN 0.392 nan 8.190 nan 0.000 0.438 294 I N 2.932 123.450 120.570 -0.086 0.000 2.468 294 I HA 0.512 4.683 4.170 0.002 0.000 0.285 294 I C -0.800 175.149 176.117 -0.280 0.000 1.039 294 I CA -0.284 60.812 61.300 -0.340 0.000 1.074 294 I CB 1.783 39.474 38.000 -0.515 0.000 1.228 294 I HN 0.474 nan 8.210 nan 0.000 0.436 295 L N 4.980 126.022 121.223 -0.300 0.000 2.334 295 L HA 0.543 4.884 4.340 0.002 0.000 0.276 295 L C -0.837 175.947 176.870 -0.143 0.000 1.014 295 L CA -0.837 53.840 54.840 -0.272 0.000 0.815 295 L CB 1.825 43.551 42.059 -0.555 0.000 1.268 295 L HN 0.420 nan 8.230 nan 0.000 0.428 296 D N 1.217 121.514 120.400 -0.173 0.000 2.232 296 D HA 0.632 5.273 4.640 0.002 0.000 0.242 296 D C -0.057 175.939 176.300 -0.506 0.000 1.093 296 D CA 0.288 54.130 54.000 -0.263 0.000 0.845 296 D CB 1.988 42.615 40.800 -0.289 0.000 1.124 296 D HN 0.676 nan 8.370 nan 0.000 0.467 297 G N 1.274 109.903 108.800 -0.285 0.000 2.727 297 G HA2 0.504 4.465 3.960 0.002 0.000 0.289 297 G HA3 0.504 4.465 3.960 0.002 0.000 0.289 297 G C -1.288 173.651 174.900 0.066 0.000 1.418 297 G CA -0.611 44.334 45.100 -0.257 0.000 0.818 297 G HN 0.276 nan 8.290 nan 0.000 0.486 298 E N -0.552 119.671 120.200 0.038 0.000 2.176 298 E HA 0.564 4.915 4.350 0.002 0.000 0.267 298 E C -0.784 175.756 176.600 -0.101 0.000 0.893 298 E CA -0.444 55.995 56.400 0.064 0.000 0.761 298 E CB 2.014 31.771 29.700 0.094 0.000 1.133 298 E HN 0.272 nan 8.360 nan 0.000 0.409 299 V N 6.210 126.125 119.914 0.002 0.000 2.407 299 V HA 0.407 4.528 4.120 0.002 0.000 0.278 299 V C 0.220 176.319 176.094 0.007 0.000 1.037 299 V CA -0.493 61.806 62.300 -0.003 0.000 0.900 299 V CB 0.600 32.479 31.823 0.093 0.000 0.983 299 V HN 0.629 nan 8.190 nan 0.000 0.459 300 I N 2.195 122.769 120.570 0.005 0.000 2.646 300 I HA 0.953 5.124 4.170 0.002 0.000 0.299 300 I C 0.026 176.168 176.117 0.041 0.000 1.036 300 I CA -0.940 60.386 61.300 0.042 0.000 1.074 300 I CB 2.140 40.184 38.000 0.073 0.000 1.258 300 I HN 0.552 nan 8.210 nan 0.000 0.430 301 A N 5.506 128.346 122.820 0.033 0.000 2.328 301 A HA 0.688 5.009 4.320 0.002 0.000 0.284 301 A C -0.104 177.491 177.584 0.019 0.000 1.160 301 A CA -0.387 51.664 52.037 0.023 0.000 0.818 301 A CB 0.714 19.729 19.000 0.025 0.000 1.087 301 A HN 1.062 nan 8.150 nan 0.000 0.504 302 V N -0.258 119.673 119.914 0.029 0.000 2.914 302 V HA 0.970 5.091 4.120 0.002 0.000 0.314 302 V C -0.739 175.366 176.094 0.019 0.000 1.084 302 V CA -1.024 61.292 62.300 0.026 0.000 0.963 302 V CB 1.863 33.717 31.823 0.051 0.000 1.025 302 V HN 0.881 nan 8.190 nan 0.000 0.432 303 K N 1.798 122.204 120.400 0.010 0.000 2.588 303 K HA 0.449 4.770 4.320 0.002 0.000 0.250 303 K C -0.384 176.220 176.600 0.006 0.000 0.972 303 K CA -0.046 56.248 56.287 0.011 0.000 0.821 303 K CB 1.198 33.706 32.500 0.013 0.000 1.249 303 K HN 0.877 nan 8.250 nan 0.000 0.442 304 E N 2.763 122.968 120.200 0.009 0.000 2.238 304 E HA -0.279 4.072 4.350 0.002 0.000 0.219 304 E C 0.541 177.147 176.600 0.009 0.000 1.275 304 E CA 1.433 57.838 56.400 0.007 0.000 0.714 304 E CB -1.730 27.972 29.700 0.003 0.000 1.154 304 E HN 1.168 nan 8.360 nan 0.000 0.363 305 G N 0.038 108.848 108.800 0.017 0.000 2.205 305 G HA2 -0.393 3.568 3.960 0.002 0.000 0.261 305 G HA3 -0.393 3.568 3.960 0.002 0.000 0.261 305 G C 0.223 175.139 174.900 0.027 0.000 0.980 305 G CA 1.066 46.181 45.100 0.026 0.000 0.632 305 G HN 0.578 nan 8.290 nan 0.000 0.533 306 K N 0.251 120.658 120.400 0.010 0.000 2.259 306 K HA 0.720 5.041 4.320 0.002 0.000 0.252 306 K C -3.118 173.468 176.600 -0.024 0.000 0.936 306 K CA -2.423 53.860 56.287 -0.007 0.000 0.810 306 K CB 2.688 35.173 32.500 -0.026 0.000 1.143 306 K HN -0.007 nan 8.250 nan 0.000 0.427 307 P HA 0.043 nan 4.420 nan 0.000 0.269 307 P C -0.770 176.453 177.300 -0.128 0.000 1.209 307 P CA -0.060 62.994 63.100 -0.077 0.000 0.776 307 P CB 0.457 32.036 31.700 -0.202 0.000 0.876 308 M N 3.165 122.685 119.600 -0.134 0.000 2.664 308 M HA 0.462 4.943 4.480 0.002 0.000 0.314 308 M C -2.423 173.724 176.300 -0.255 0.000 1.200 308 M CA -2.714 52.427 55.300 -0.265 0.000 0.916 308 M CB 1.454 33.858 32.600 -0.326 0.000 1.717 308 M HN 0.140 nan 8.290 nan 0.000 0.470 309 P HA 0.147 nan 4.420 nan 0.000 0.274 309 P C 0.603 177.837 177.300 -0.110 0.000 1.237 309 P CA -0.236 62.758 63.100 -0.177 0.000 0.793 309 P CB 0.231 31.806 31.700 -0.208 0.000 0.977 310 F N 0.845 120.752 119.950 -0.072 0.000 2.269 310 F HA -0.180 4.348 4.527 0.001 0.000 0.301 310 F C 1.994 177.765 175.800 -0.048 0.000 1.082 310 F CA 1.078 59.047 58.000 -0.051 0.000 1.360 310 F CB -1.178 37.805 39.000 -0.029 0.000 1.041 310 F HN 0.221 nan 8.300 nan 0.000 0.512 311 Q N 0.800 120.046 119.800 -0.924 0.000 2.364 311 Q HA -0.211 4.130 4.340 0.002 0.000 0.207 311 Q C 1.493 177.357 176.000 -0.227 0.000 0.970 311 Q CA 1.721 57.126 55.803 -0.664 0.000 0.888 311 Q CB -1.450 26.891 28.738 -0.662 0.000 0.951 311 Q HN 0.684 nan 8.270 nan 0.000 0.469 312 H N 0.268 119.166 119.070 -0.287 0.000 2.357 312 H HA -0.031 4.525 4.556 0.001 0.000 0.301 312 H C 2.247 177.461 175.328 -0.190 0.000 1.082 312 H CA 1.405 57.341 56.048 -0.186 0.000 1.342 312 H CB 0.494 30.178 29.762 -0.130 0.000 1.389 312 H HN 0.121 nan 8.280 nan 0.000 0.511 313 V N 1.564 121.418 119.914 -0.099 0.000 2.407 313 V HA -0.247 3.874 4.120 0.002 0.000 0.248 313 V C 2.638 178.405 176.094 -0.545 0.000 1.055 313 V CA 1.291 63.409 62.300 -0.303 0.000 1.049 313 V CB -0.572 31.047 31.823 -0.339 0.000 0.662 313 V HN 0.322 nan 8.190 nan 0.000 0.455 314 L N -0.669 120.320 121.223 -0.390 0.000 2.083 314 L HA -0.170 4.171 4.340 0.002 0.000 0.209 314 L C 2.840 179.653 176.870 -0.095 0.000 1.083 314 L CA 1.557 56.243 54.840 -0.258 0.000 0.752 314 L CB -0.648 41.338 42.059 -0.122 0.000 0.899 314 L HN 0.244 nan 8.230 nan 0.000 0.433 315 R N -0.341 120.087 120.500 -0.119 0.000 2.091 315 R HA -0.131 4.210 4.340 0.002 0.000 0.238 315 R C 2.486 178.781 176.300 -0.009 0.000 1.136 315 R CA 1.048 57.104 56.100 -0.074 0.000 0.959 315 R CB -0.261 29.955 30.300 -0.139 0.000 0.856 315 R HN 0.317 nan 8.270 nan 0.000 0.437 316 R N 0.277 120.771 120.500 -0.011 0.000 2.083 316 R HA -0.111 4.230 4.340 0.002 0.000 0.237 316 R C 2.245 178.691 176.300 0.243 0.000 1.137 316 R CA 1.421 57.571 56.100 0.083 0.000 0.951 316 R CB -0.855 29.491 30.300 0.076 0.000 0.851 316 R HN 0.347 nan 8.270 nan 0.000 0.434 317 F N 0.786 120.750 119.950 0.024 0.000 2.161 317 F HA -0.213 4.315 4.527 0.001 0.000 0.300 317 F C 2.728 178.543 175.800 0.026 0.000 1.089 317 F CA 0.707 58.728 58.000 0.034 0.000 1.282 317 F CB -0.149 38.886 39.000 0.058 0.000 1.010 317 F HN 0.078 nan 8.300 nan 0.000 0.485 318 R N -0.083 120.543 120.500 0.210 0.000 2.070 318 R HA 0.016 4.357 4.340 0.002 0.000 0.233 318 R C 0.333 176.678 176.300 0.076 0.000 1.137 318 R CA 1.074 57.241 56.100 0.112 0.000 0.945 318 R CB -0.038 30.301 30.300 0.065 0.000 0.845 318 R HN 0.225 nan 8.270 nan 0.000 0.430 323 V N -1.212 118.705 119.914 0.004 0.000 3.306 323 V HA 0.239 4.360 4.120 0.002 0.000 0.264 323 V C 2.342 178.440 176.094 0.007 0.000 1.149 323 V CA 1.340 63.645 62.300 0.009 0.000 1.143 323 V CB 0.047 31.878 31.823 0.013 0.000 0.767 323 V HN 0.494 nan 8.190 nan 0.000 0.476 324 A N 0.897 123.719 122.820 0.003 0.000 1.972 324 A HA -0.189 4.132 4.320 0.002 0.000 0.219 324 A C 2.240 179.825 177.584 0.001 0.000 1.169 324 A CA 2.189 54.227 52.037 0.002 0.000 0.635 324 A CB -0.521 18.479 19.000 0.000 0.000 0.810 324 A HN 0.545 nan 8.150 nan 0.000 0.446 325 K N -1.022 119.378 120.400 -0.000 0.000 2.097 325 K HA -0.011 4.310 4.320 0.002 0.000 0.205 325 K C 1.949 178.546 176.600 -0.004 0.000 1.050 325 K CA 1.343 57.628 56.287 -0.003 0.000 0.938 325 K CB -0.194 32.303 32.500 -0.005 0.000 0.718 325 K HN 0.337 nan 8.250 nan 0.000 0.442 326 M N -0.025 119.575 119.600 -0.001 0.000 2.175 326 M HA -0.089 4.392 4.480 0.002 0.000 0.264 326 M C 1.975 178.278 176.300 0.006 0.000 1.063 326 M CA 1.069 56.369 55.300 -0.000 0.000 1.119 326 M CB -0.519 32.086 32.600 0.008 0.000 1.377 326 M HN -0.048 nan 8.290 nan 0.000 0.415 327 V N 0.613 120.533 119.914 0.009 0.000 2.469 327 V HA -0.223 3.898 4.120 0.002 0.000 0.251 327 V C 2.401 178.499 176.094 0.007 0.000 1.064 327 V CA 1.498 63.804 62.300 0.011 0.000 1.066 327 V CB -0.691 31.137 31.823 0.009 0.000 0.667 327 V HN 0.386 nan 8.190 nan 0.000 0.461 328 E N -0.340 119.862 120.200 0.003 0.000 2.042 328 E HA -0.079 4.272 4.350 0.002 0.000 0.189 328 E C 2.256 178.858 176.600 0.002 0.000 0.974 328 E CA 0.564 56.965 56.400 0.002 0.000 0.806 328 E CB -0.357 29.343 29.700 -0.000 0.000 0.769 328 E HN 0.370 nan 8.360 nan 0.000 0.451 329 K N 0.699 121.097 120.400 -0.003 0.000 2.009 329 K HA -0.032 4.288 4.320 0.002 0.000 0.210 329 K C 1.078 177.681 176.600 0.006 0.000 1.049 329 K CA 0.866 57.150 56.287 -0.006 0.000 0.929 329 K CB -0.128 32.358 32.500 -0.023 0.000 0.714 329 K HN 0.161 nan 8.250 nan 0.000 0.440 330 I N 2.288 122.863 120.570 0.007 0.000 2.555 330 I HA 0.185 4.356 4.170 0.002 0.000 0.275 330 I C -2.519 173.614 176.117 0.026 0.000 1.082 330 I CA -2.198 59.118 61.300 0.026 0.000 1.167 330 I CB 1.527 39.534 38.000 0.012 0.000 1.312 330 I HN -0.162 nan 8.210 nan 0.000 0.493 331 P HA 0.284 nan 4.420 nan 0.000 0.269 331 P C -0.723 176.592 177.300 0.025 0.000 1.215 331 P CA 0.079 63.191 63.100 0.021 0.000 0.780 331 P CB 0.761 32.472 31.700 0.018 0.000 0.898 332 L N 1.054 122.289 121.223 0.020 0.000 2.376 332 L HA 0.604 4.945 4.340 0.002 0.000 0.258 332 L C 0.257 177.131 176.870 0.007 0.000 1.013 332 L CA -0.780 54.072 54.840 0.021 0.000 0.822 332 L CB 2.226 44.302 42.059 0.028 0.000 1.388 332 L HN 0.436 nan 8.230 nan 0.000 0.413 333 E N 0.965 121.168 120.200 0.006 0.000 2.393 333 E HA 0.842 5.193 4.350 0.002 0.000 0.273 333 E C -1.546 175.008 176.600 -0.077 0.000 0.918 333 E CA -1.157 55.218 56.400 -0.041 0.000 0.773 333 E CB 2.613 32.291 29.700 -0.037 0.000 1.275 333 E HN 0.545 nan 8.360 nan 0.000 0.451 334 A N 1.920 124.601 122.820 -0.231 0.000 2.342 334 A HA 0.497 4.818 4.320 0.002 0.000 0.323 334 A C -1.151 176.039 177.584 -0.657 0.000 1.125 334 A CA -0.688 51.100 52.037 -0.414 0.000 0.785 334 A CB 0.805 19.482 19.000 -0.539 0.000 1.221 334 A HN 0.657 nan 8.150 nan 0.000 0.463 335 H N 2.070 120.723 119.070 -0.695 0.000 2.708 335 H HA 0.373 4.931 4.556 0.003 0.000 0.320 335 H C -1.464 173.567 175.328 -0.494 0.000 0.991 335 H CA -0.157 55.547 56.048 -0.574 0.000 1.243 335 H CB 1.140 30.426 29.762 -0.792 0.000 1.446 335 H HN 0.552 nan 8.280 nan 0.000 0.502 336 F N 3.039 122.983 119.950 -0.011 0.000 2.385 336 F HA 0.106 4.633 4.527 0.000 0.000 0.336 336 F C 0.828 176.659 175.800 0.051 0.000 1.100 336 F CA -0.745 57.213 58.000 -0.070 0.000 1.116 336 F CB 0.565 39.499 39.000 -0.111 0.000 1.166 336 F HN 0.523 nan 8.300 nan 0.000 0.511 337 F N -1.899 118.194 119.950 0.238 0.000 2.831 337 F HA 0.488 5.016 4.527 0.001 0.000 0.334 337 F C -0.469 175.407 175.800 0.126 0.000 1.071 337 F CA -0.370 57.713 58.000 0.139 0.000 1.172 337 F CB 0.242 39.296 39.000 0.090 0.000 1.054 337 F HN 0.247 nan 8.300 nan 0.000 0.572 338 D N 0.511 120.881 120.400 -0.049 0.000 2.615 338 D HA 0.492 5.133 4.640 0.002 0.000 0.267 338 D C -1.627 174.622 176.300 -0.084 0.000 1.236 338 D CA -0.347 53.684 54.000 0.053 0.000 0.839 338 D CB 3.260 44.241 40.800 0.301 0.000 1.380 338 D HN 0.160 nan 8.370 nan 0.000 0.433 339 I N 1.972 122.493 120.570 -0.081 0.000 2.607 339 I HA 0.268 4.439 4.170 0.002 0.000 0.290 339 I C -0.168 175.843 176.117 -0.177 0.000 1.129 339 I CA -0.580 60.638 61.300 -0.136 0.000 1.042 339 I CB 1.431 39.372 38.000 -0.098 0.000 1.242 339 I HN 0.381 nan 8.210 nan 0.000 0.421 340 L N 6.691 127.788 121.223 -0.211 0.000 2.642 340 L HA 0.318 4.659 4.340 0.002 0.000 0.233 340 L C -0.605 176.241 176.870 -0.039 0.000 1.077 340 L CA -0.062 54.637 54.840 -0.236 0.000 0.879 340 L CB 0.201 42.045 42.059 -0.358 0.000 1.151 340 L HN 0.517 nan 8.230 nan 0.000 0.495 341 Y N 0.953 121.162 120.300 -0.152 0.000 2.396 341 Y HA 0.450 5.001 4.550 0.001 0.000 0.332 341 Y C -1.011 174.872 175.900 -0.028 0.000 1.034 341 Y CA -0.944 57.099 58.100 -0.096 0.000 1.057 341 Y CB 1.160 39.539 38.460 -0.134 0.000 1.220 341 Y HN -0.012 nan 8.280 nan 0.000 0.440 342 H N 6.719 125.562 119.070 -0.378 0.000 3.021 342 H HA 0.224 4.780 4.556 -0.001 0.000 0.293 342 H C -1.016 174.086 175.328 -0.377 0.000 1.244 342 H CA -0.353 55.550 56.048 -0.241 0.000 1.596 342 H CB 0.531 30.200 29.762 -0.156 0.000 1.720 342 H HN 0.932 nan 8.280 nan 0.000 0.537 343 D N 3.196 123.242 120.400 -0.590 0.000 2.810 343 D HA -0.161 4.480 4.640 0.002 0.000 0.224 343 D C 0.610 176.546 176.300 -0.607 0.000 1.222 343 D CA 2.107 55.815 54.000 -0.487 0.000 0.698 343 D CB -1.057 39.522 40.800 -0.369 0.000 0.961 343 D HN 1.104 nan 8.370 nan 0.000 0.403 344 G N 0.124 108.148 108.800 -1.294 0.000 2.525 344 G HA2 -0.052 3.909 3.960 0.002 0.000 0.685 344 G HA3 -0.052 3.909 3.960 0.002 0.000 0.685 344 G C -0.545 173.835 174.900 -0.867 0.000 1.285 344 G CA -0.824 43.763 45.100 -0.856 0.000 0.849 344 G HN 0.186 nan 8.290 nan 0.000 0.653 345 E N -0.812 119.178 120.200 -0.350 0.000 2.534 345 E HA 0.235 4.586 4.350 0.002 0.000 0.264 345 E C 1.270 177.793 176.600 -0.128 0.000 0.981 345 E CA 1.246 57.576 56.400 -0.116 0.000 0.948 345 E CB 0.381 30.077 29.700 -0.006 0.000 0.934 345 E HN 1.326 nan 8.360 nan 0.000 0.459 346 C N 1.120 120.375 119.300 -0.076 0.000 3.722 346 C HA 0.263 4.724 4.460 0.002 0.000 0.279 346 C C 1.570 176.554 174.990 -0.010 0.000 1.819 346 C CA -0.509 58.479 59.018 -0.049 0.000 1.744 346 C CB -1.454 26.250 27.740 -0.060 0.000 3.247 346 C HN 0.888 nan 8.230 nan 0.000 0.549 347 I N -0.785 119.789 120.570 0.006 0.000 2.614 347 I HA 0.022 4.193 4.170 0.002 0.000 0.258 347 I C 1.527 177.705 176.117 0.103 0.000 1.189 347 I CA 1.639 62.982 61.300 0.072 0.000 1.462 347 I CB -0.445 37.617 38.000 0.104 0.000 1.092 347 I HN 0.071 nan 8.210 nan 0.000 0.442 348 D N 1.734 122.170 120.400 0.059 0.000 2.317 348 D HA 0.170 4.811 4.640 0.002 0.000 0.211 348 D C 1.111 177.441 176.300 0.050 0.000 0.966 348 D CA 0.435 54.466 54.000 0.052 0.000 0.876 348 D CB -0.043 40.776 40.800 0.032 0.000 0.927 348 D HN 0.356 nan 8.370 nan 0.000 0.519 349 L N 1.354 122.605 121.223 0.046 0.000 2.506 349 L HA 0.082 4.423 4.340 0.002 0.000 0.281 349 L C -1.927 174.991 176.870 0.079 0.000 1.228 349 L CA -1.111 53.758 54.840 0.047 0.000 0.850 349 L CB -0.595 41.482 42.059 0.029 0.000 1.110 349 L HN -0.190 nan 8.230 nan 0.000 0.496 350 P HA -0.240 nan 4.420 nan 0.000 0.136 350 P C 0.574 177.929 177.300 0.091 0.000 0.937 350 P CA 0.723 63.866 63.100 0.072 0.000 0.951 350 P CB -0.141 31.586 31.700 0.044 0.000 1.428 351 L N 4.373 125.673 121.223 0.128 0.000 2.021 351 L HA -0.289 4.052 4.340 0.002 0.000 0.215 351 L C 2.654 179.581 176.870 0.094 0.000 1.074 351 L CA 2.280 57.212 54.840 0.153 0.000 0.760 351 L CB -0.197 41.973 42.059 0.185 0.000 0.889 351 L HN 0.349 nan 8.230 nan 0.000 0.433 352 R N -0.579 119.960 120.500 0.066 0.000 2.127 352 R HA -0.202 4.139 4.340 0.002 0.000 0.238 352 R C 1.788 178.102 176.300 0.023 0.000 1.134 352 R CA 1.883 58.006 56.100 0.038 0.000 0.975 352 R CB -0.858 29.460 30.300 0.029 0.000 0.865 352 R HN 0.537 nan 8.270 nan 0.000 0.447 353 E N 0.803 121.017 120.200 0.023 0.000 2.072 353 E HA -0.063 4.288 4.350 0.002 0.000 0.190 353 E C 2.246 178.837 176.600 -0.014 0.000 0.982 353 E CA 0.698 57.098 56.400 0.001 0.000 0.803 353 E CB -0.017 29.685 29.700 0.002 0.000 0.755 353 E HN 0.410 nan 8.360 nan 0.000 0.453 354 R N 0.790 121.298 120.500 0.014 0.000 2.081 354 R HA -0.126 4.215 4.340 0.002 0.000 0.235 354 R C 2.418 178.714 176.300 -0.006 0.000 1.131 354 R CA 1.199 57.301 56.100 0.004 0.000 0.960 354 R CB -0.307 30.032 30.300 0.064 0.000 0.856 354 R HN -0.038 nan 8.270 nan 0.000 0.436 355 R N 1.863 122.377 120.500 0.023 0.000 2.096 355 R HA -0.151 4.190 4.340 0.002 0.000 0.240 355 R C 1.814 178.104 176.300 -0.016 0.000 1.139 355 R CA 1.846 57.958 56.100 0.018 0.000 0.952 355 R CB -0.183 30.135 30.300 0.030 0.000 0.854 355 R HN 0.095 nan 8.270 nan 0.000 0.436 356 K N -0.055 120.327 120.400 -0.029 0.000 2.032 356 K HA -0.137 4.184 4.320 0.002 0.000 0.209 356 K C 2.100 178.644 176.600 -0.094 0.000 1.048 356 K CA 1.905 58.161 56.287 -0.050 0.000 0.927 356 K CB -0.328 32.143 32.500 -0.047 0.000 0.712 356 K HN 0.181 nan 8.250 nan 0.000 0.441 357 L N 0.614 121.751 121.223 -0.142 0.000 2.042 357 L HA -0.230 4.111 4.340 0.002 0.000 0.210 357 L C 2.479 179.234 176.870 -0.192 0.000 1.076 357 L CA 0.793 55.473 54.840 -0.266 0.000 0.749 357 L CB -0.461 41.395 42.059 -0.337 0.000 0.893 357 L HN 0.226 nan 8.230 nan 0.000 0.432 358 L N -0.034 121.124 121.223 -0.108 0.000 2.046 358 L HA -0.213 4.128 4.340 0.002 0.000 0.208 358 L C 2.380 179.221 176.870 -0.049 0.000 1.077 358 L CA 1.761 56.559 54.840 -0.070 0.000 0.747 358 L CB -0.420 41.625 42.059 -0.023 0.000 0.896 358 L HN 0.192 nan 8.230 nan 0.000 0.432 359 E N -0.653 119.525 120.200 -0.037 0.000 2.085 359 E HA -0.215 4.136 4.350 0.002 0.000 0.194 359 E C 2.111 178.695 176.600 -0.027 0.000 0.994 359 E CA 1.567 57.954 56.400 -0.022 0.000 0.801 359 E CB -0.252 29.437 29.700 -0.019 0.000 0.743 359 E HN 0.696 nan 8.360 nan 0.000 0.453 360 S N -0.088 115.587 115.700 -0.042 0.000 2.561 360 S HA 0.132 4.603 4.470 0.002 0.000 0.225 360 S C 1.797 176.393 174.600 -0.007 0.000 0.977 360 S CA 0.513 58.697 58.200 -0.027 0.000 0.926 360 S CB 0.410 63.590 63.200 -0.035 0.000 0.769 360 S HN 0.251 nan 8.310 nan 0.000 0.533 361 A N 0.914 123.722 122.820 -0.019 0.000 2.044 361 A HA 0.500 4.821 4.320 0.002 0.000 0.213 361 A C 0.967 178.545 177.584 -0.009 0.000 1.169 361 A CA 0.593 52.635 52.037 0.009 0.000 0.724 361 A CB -0.200 18.801 19.000 0.002 0.000 0.840 361 A HN 0.906 nan 8.150 nan 0.000 0.463 362 V N 0.605 120.502 119.914 -0.028 0.000 2.513 362 V HA 0.601 4.722 4.120 0.002 0.000 0.299 362 V C -1.009 175.083 176.094 -0.002 0.000 1.035 362 V CA -0.822 61.464 62.300 -0.023 0.000 0.889 362 V CB 1.331 33.137 31.823 -0.028 0.000 0.988 362 V HN 0.426 nan 8.190 nan 0.000 0.440 363 N N 4.507 123.208 118.700 0.002 0.000 2.485 363 N HA 0.290 5.031 4.740 0.002 0.000 0.243 363 N C -0.210 175.297 175.510 -0.004 0.000 0.987 363 N CA -0.367 52.684 53.050 0.001 0.000 0.940 363 N CB 0.970 39.461 38.487 0.005 0.000 1.122 363 N HN 0.832 nan 8.380 nan 0.000 0.509 364 E N 1.656 121.851 120.200 -0.008 0.000 2.465 364 E HA 0.038 4.389 4.350 0.002 0.000 0.260 364 E C -0.149 176.435 176.600 -0.027 0.000 0.980 364 E CA 0.288 56.675 56.400 -0.022 0.000 0.927 364 E CB 0.498 30.181 29.700 -0.029 0.000 0.934 364 E HN 0.776 nan 8.360 nan 0.000 0.459 365 S N 1.313 116.990 115.700 -0.039 0.000 2.874 365 S HA 0.161 4.632 4.470 0.002 0.000 0.318 365 S C 0.975 175.544 174.600 -0.052 0.000 1.109 365 S CA -0.675 57.502 58.200 -0.037 0.000 0.878 365 S CB 0.959 64.139 63.200 -0.032 0.000 1.307 365 S HN 0.651 nan 8.310 nan 0.000 0.592 366 E N 0.681 120.856 120.200 -0.041 0.000 2.150 366 E HA -0.026 4.325 4.350 0.002 0.000 0.193 366 E C 1.329 177.893 176.600 -0.060 0.000 0.985 366 E CA 0.855 57.231 56.400 -0.040 0.000 0.814 366 E CB -0.248 29.439 29.700 -0.022 0.000 0.752 366 E HN 0.550 nan 8.360 nan 0.000 0.466 367 K N -0.192 120.168 120.400 -0.066 0.000 2.360 367 K HA 0.210 4.531 4.320 0.002 0.000 0.196 367 K C -0.179 176.344 176.600 -0.128 0.000 1.049 367 K CA -0.071 56.168 56.287 -0.080 0.000 1.049 367 K CB 1.012 33.482 32.500 -0.050 0.000 0.881 367 K HN 0.136 nan 8.250 nan 0.000 0.542 368 I N 2.556 123.053 120.570 -0.122 0.000 2.439 368 I HA 0.262 4.433 4.170 0.002 0.000 0.285 368 I C -0.531 175.493 176.117 -0.154 0.000 1.021 368 I CA -0.681 60.552 61.300 -0.111 0.000 1.091 368 I CB 1.400 39.419 38.000 0.031 0.000 1.242 368 I HN -0.134 nan 8.210 nan 0.000 0.439 369 K N 5.116 125.330 120.400 -0.310 0.000 2.340 369 K HA 0.608 4.929 4.320 0.002 0.000 0.244 369 K C -0.972 175.557 176.600 -0.119 0.000 0.973 369 K CA -1.137 54.979 56.287 -0.285 0.000 0.828 369 K CB 2.560 34.723 32.500 -0.562 0.000 1.226 369 K HN 0.169 nan 8.250 nan 0.000 0.437 370 L N 1.435 122.644 121.223 -0.023 0.000 2.334 370 L HA 0.323 4.664 4.340 0.002 0.000 0.277 370 L C 0.234 177.157 176.870 0.089 0.000 1.075 370 L CA -0.368 54.509 54.840 0.062 0.000 0.804 370 L CB 0.889 42.978 42.059 0.049 0.000 1.174 370 L HN 0.831 nan 8.230 nan 0.000 0.438 371 A N 3.973 126.900 122.820 0.179 0.000 2.548 371 A HA 0.078 4.399 4.320 0.002 0.000 0.247 371 A C 0.448 178.064 177.584 0.052 0.000 1.067 371 A CA -0.118 52.053 52.037 0.223 0.000 0.757 371 A CB -0.376 18.823 19.000 0.333 0.000 0.996 371 A HN 0.694 nan 8.150 nan 0.000 0.504 372 K N 2.384 122.732 120.400 -0.087 0.000 2.412 372 K HA 0.117 4.438 4.320 0.002 0.000 0.281 372 K C -0.041 176.489 176.600 -0.116 0.000 1.027 372 K CA 0.272 56.461 56.287 -0.164 0.000 0.989 372 K CB 0.245 32.535 32.500 -0.350 0.000 0.935 372 K HN 0.821 nan 8.250 nan 0.000 0.475 373 Q N 4.861 124.624 119.800 -0.062 0.000 2.356 373 Q HA 0.426 4.767 4.340 0.002 0.000 0.270 373 Q C -1.032 174.950 176.000 -0.030 0.000 1.058 373 Q CA -0.950 54.829 55.803 -0.039 0.000 0.802 373 Q CB 1.274 30.002 28.738 -0.015 0.000 1.303 373 Q HN 0.737 nan 8.270 nan 0.000 0.444 374 I N -0.432 120.126 120.570 -0.020 0.000 2.797 374 I HA 0.758 4.929 4.170 0.002 0.000 0.307 374 I C -1.019 175.093 176.117 -0.008 0.000 1.033 374 I CA -1.135 60.159 61.300 -0.009 0.000 1.071 374 I CB 2.089 40.091 38.000 0.003 0.000 1.255 374 I HN 0.229 nan 8.210 nan 0.000 0.445 375 V N 2.805 122.717 119.914 -0.004 0.000 2.487 375 V HA 0.752 4.873 4.120 0.002 0.000 0.298 375 V C -0.136 175.958 176.094 -0.000 0.000 1.028 375 V CA -0.186 62.113 62.300 -0.002 0.000 0.860 375 V CB 1.337 33.160 31.823 0.001 0.000 0.991 375 V HN 0.976 nan 8.190 nan 0.000 0.427 376 T N 1.724 116.278 114.554 -0.001 0.000 2.830 376 T HA 0.378 4.729 4.350 0.002 0.000 0.322 376 T C -0.846 173.852 174.700 -0.003 0.000 1.501 376 T CA -0.102 61.998 62.100 -0.001 0.000 1.036 376 T CB 1.951 70.820 68.868 0.000 0.000 1.379 376 T HN 0.865 nan 8.240 nan 0.000 0.493 377 D N 0.644 121.042 120.400 -0.003 0.000 2.433 377 D HA 0.243 4.884 4.640 0.002 0.000 0.211 377 D C 0.485 176.781 176.300 -0.007 0.000 1.114 377 D CA -0.147 53.850 54.000 -0.005 0.000 0.837 377 D CB 0.371 41.169 40.800 -0.002 0.000 0.984 377 D HN 0.267 nan 8.370 nan 0.000 0.505 378 S N 0.352 116.048 115.700 -0.007 0.000 2.439 378 S HA 0.224 4.695 4.470 0.002 0.000 0.282 378 S C 1.322 175.914 174.600 -0.013 0.000 1.170 378 S CA -0.614 57.582 58.200 -0.008 0.000 1.054 378 S CB 0.886 64.084 63.200 -0.003 0.000 0.956 378 S HN 0.017 nan 8.310 nan 0.000 0.490 379 V N 4.883 124.785 119.914 -0.020 0.000 2.469 379 V HA -0.135 3.986 4.120 0.002 0.000 0.251 379 V C 1.847 177.924 176.094 -0.028 0.000 1.064 379 V CA 1.960 64.241 62.300 -0.032 0.000 1.066 379 V CB -0.533 31.267 31.823 -0.038 0.000 0.667 379 V HN 0.732 nan 8.190 nan 0.000 0.461 380 D N -0.475 119.916 120.400 -0.015 0.000 2.149 380 D HA -0.109 4.532 4.640 0.002 0.000 0.201 380 D C 2.261 178.564 176.300 0.005 0.000 0.972 380 D CA 0.898 54.894 54.000 -0.006 0.000 0.835 380 D CB -0.100 40.698 40.800 -0.003 0.000 0.966 380 D HN 0.510 nan 8.370 nan 0.000 0.476 381 E N 0.204 120.408 120.200 0.006 0.000 2.072 381 E HA -0.114 4.237 4.350 0.002 0.000 0.191 381 E C 2.140 178.755 176.600 0.026 0.000 0.985 381 E CA 0.570 56.980 56.400 0.016 0.000 0.801 381 E CB 0.034 29.741 29.700 0.013 0.000 0.750 381 E HN 0.091 nan 8.360 nan 0.000 0.452 382 V N 1.136 121.056 119.914 0.010 0.000 2.515 382 V HA -0.200 3.921 4.120 0.002 0.000 0.250 382 V C 2.313 178.424 176.094 0.028 0.000 1.058 382 V CA 1.840 64.147 62.300 0.013 0.000 1.064 382 V CB -0.278 31.534 31.823 -0.019 0.000 0.675 382 V HN 0.120 nan 8.190 nan 0.000 0.461 383 R N 0.023 120.526 120.500 0.006 0.000 2.115 383 R HA -0.175 4.166 4.340 0.002 0.000 0.230 383 R C 2.433 178.792 176.300 0.099 0.000 1.111 383 R CA 1.992 58.115 56.100 0.039 0.000 0.976 383 R CB -0.317 29.980 30.300 -0.004 0.000 0.870 383 R HN 0.594 nan 8.270 nan 0.000 0.445 384 K N -0.047 120.392 120.400 0.065 0.000 2.097 384 K HA -0.125 4.195 4.320 0.002 0.000 0.205 384 K C 2.061 178.710 176.600 0.082 0.000 1.050 384 K CA 1.509 57.833 56.287 0.063 0.000 0.938 384 K CB -0.035 32.495 32.500 0.051 0.000 0.718 384 K HN 0.170 nan 8.250 nan 0.000 0.442 385 M N -0.390 119.277 119.600 0.111 0.000 2.099 385 M HA -0.179 4.302 4.480 0.002 0.000 0.262 385 M C 1.899 178.229 176.300 0.050 0.000 1.067 385 M CA 1.494 56.894 55.300 0.167 0.000 1.124 385 M CB -0.225 32.493 32.600 0.196 0.000 1.353 385 M HN 0.223 nan 8.290 nan 0.000 0.410 386 Y N 1.628 121.872 120.300 -0.094 0.000 2.053 386 Y HA -0.369 4.182 4.550 0.001 0.000 0.277 386 Y C 1.826 177.601 175.900 -0.209 0.000 1.159 386 Y CA 2.428 60.425 58.100 -0.171 0.000 1.125 386 Y CB -0.593 37.797 38.460 -0.116 0.000 0.969 386 Y HN 0.332 nan 8.280 nan 0.000 0.492 387 D N 0.064 120.420 120.400 -0.073 0.000 2.104 387 D HA -0.192 4.449 4.640 0.002 0.000 0.194 387 D C 2.101 178.263 176.300 -0.231 0.000 0.994 387 D CA 1.893 55.797 54.000 -0.160 0.000 0.830 387 D CB -0.372 40.409 40.800 -0.032 0.000 0.959 387 D HN 0.574 nan 8.370 nan 0.000 0.452 388 E N 0.260 120.360 120.200 -0.166 0.000 2.077 388 E HA -0.140 4.211 4.350 0.002 0.000 0.193 388 E C 2.099 178.374 176.600 -0.542 0.000 0.989 388 E CA 0.965 57.270 56.400 -0.157 0.000 0.800 388 E CB -0.059 29.712 29.700 0.118 0.000 0.746 388 E HN 0.212 nan 8.360 nan 0.000 0.452 389 A N 1.147 123.381 122.820 -0.977 0.000 1.877 389 A HA -0.191 4.129 4.320 0.002 0.000 0.216 389 A C 2.164 179.226 177.584 -0.870 0.000 1.186 389 A CA 1.220 52.281 52.037 -1.628 0.000 0.620 389 A CB -0.610 17.474 19.000 -1.526 0.000 0.822 389 A HN 0.140 nan 8.150 nan 0.000 0.443 390 I N 0.086 120.262 120.570 -0.658 0.000 2.226 390 I HA -0.229 3.942 4.170 0.002 0.000 0.245 390 I C 2.585 178.487 176.117 -0.359 0.000 1.100 390 I CA 1.531 62.539 61.300 -0.486 0.000 1.374 390 I CB -0.216 37.471 38.000 -0.522 0.000 1.057 390 I HN 0.229 nan 8.210 nan 0.000 0.413 391 S N 0.775 116.287 115.700 -0.314 0.000 2.419 391 S HA -0.120 4.351 4.470 0.002 0.000 0.233 391 S C 2.007 176.493 174.600 -0.189 0.000 1.016 391 S CA 1.179 59.254 58.200 -0.208 0.000 0.974 391 S CB -0.333 62.780 63.200 -0.145 0.000 0.786 391 S HN 0.548 nan 8.310 nan 0.000 0.492 392 A N 0.360 123.029 122.820 -0.251 0.000 2.238 392 A HA 0.503 4.824 4.320 0.002 0.000 0.208 392 A C 1.638 179.064 177.584 -0.263 0.000 1.177 392 A CA 0.727 52.670 52.037 -0.155 0.000 0.804 392 A CB -0.647 18.312 19.000 -0.068 0.000 0.823 392 A HN 0.900 nan 8.150 nan 0.000 0.482 393 G N -1.639 106.958 108.800 -0.340 0.000 2.144 393 G HA2 -0.176 3.785 3.960 0.002 0.000 0.218 393 G HA3 -0.176 3.785 3.960 0.002 0.000 0.218 393 G C 0.142 174.725 174.900 -0.528 0.000 0.988 393 G CA 0.264 45.128 45.100 -0.394 0.000 0.659 393 G HN 0.639 nan 8.290 nan 0.000 0.522 394 H N -0.451 118.456 119.070 -0.273 0.000 2.994 394 H HA 0.493 5.050 4.556 0.002 0.000 0.276 394 H C 1.103 176.233 175.328 -0.331 0.000 1.575 394 H CA 0.041 55.924 56.048 -0.275 0.000 1.583 394 H CB 0.748 30.306 29.762 -0.339 0.000 1.735 394 H HN 0.280 nan 8.280 nan 0.000 0.901 395 E N -0.332 119.768 120.200 -0.167 0.000 2.389 395 E HA 0.253 4.604 4.350 0.002 0.000 0.199 395 E C 0.669 177.114 176.600 -0.259 0.000 0.978 395 E CA 0.289 56.574 56.400 -0.192 0.000 0.912 395 E CB 1.336 30.965 29.700 -0.118 0.000 0.907 395 E HN 0.753 nan 8.360 nan 0.000 0.494 396 G N 0.728 109.334 108.800 -0.324 0.000 2.439 396 G HA2 0.111 4.072 3.960 0.002 0.000 0.186 396 G HA3 0.111 4.072 3.960 0.002 0.000 0.186 396 G C -1.397 173.411 174.900 -0.153 0.000 1.260 396 G CA -0.337 44.615 45.100 -0.246 0.000 1.020 396 G HN 0.266 nan 8.290 nan 0.000 0.470 397 V N -2.485 117.447 119.914 0.030 0.000 2.876 397 V HA 0.886 5.007 4.120 0.002 0.000 0.312 397 V C -0.126 175.928 176.094 -0.067 0.000 1.085 397 V CA -1.190 61.097 62.300 -0.021 0.000 0.945 397 V CB 1.942 33.796 31.823 0.051 0.000 1.017 397 V HN 0.805 nan 8.190 nan 0.000 0.428 398 M N 4.045 123.569 119.600 -0.127 0.000 2.264 398 M HA 0.601 5.082 4.480 0.002 0.000 0.352 398 M C -0.730 175.480 176.300 -0.150 0.000 1.173 398 M CA -0.367 54.829 55.300 -0.174 0.000 1.075 398 M CB 1.013 33.419 32.600 -0.323 0.000 1.621 398 M HN 0.648 nan 8.290 nan 0.000 0.457 399 I N 3.569 124.069 120.570 -0.118 0.000 2.410 399 I HA 0.362 4.533 4.170 0.002 0.000 0.286 399 I C -0.338 175.735 176.117 -0.073 0.000 1.009 399 I CA -0.499 60.750 61.300 -0.085 0.000 1.111 399 I CB 1.319 39.290 38.000 -0.048 0.000 1.262 399 I HN 0.552 nan 8.210 nan 0.000 0.443 400 K N 6.253 126.596 120.400 -0.095 0.000 2.371 400 K HA 0.538 4.859 4.320 0.002 0.000 0.251 400 K C -0.941 175.682 176.600 0.037 0.000 0.934 400 K CA -0.877 55.378 56.287 -0.053 0.000 0.798 400 K CB 2.870 35.188 32.500 -0.303 0.000 1.204 400 K HN 0.450 nan 8.250 nan 0.000 0.427 401 L N 4.513 125.810 121.223 0.124 0.000 2.433 401 L HA 0.086 4.427 4.340 0.002 0.000 0.275 401 L C -1.651 175.280 176.870 0.102 0.000 1.128 401 L CA -1.567 53.333 54.840 0.100 0.000 0.875 401 L CB 0.889 43.014 42.059 0.112 0.000 1.171 401 L HN 0.399 nan 8.230 nan 0.000 0.463 402 P HA -0.131 nan 4.420 nan 0.000 0.223 402 P C 1.207 178.551 177.300 0.072 0.000 1.144 402 P CA 0.843 63.980 63.100 0.061 0.000 0.783 402 P CB 0.311 32.033 31.700 0.037 0.000 0.771 403 S N -2.419 113.324 115.700 0.072 0.000 2.535 403 S HA 0.078 4.549 4.470 0.002 0.000 0.214 403 S C 0.878 175.527 174.600 0.083 0.000 0.980 403 S CA -0.321 57.919 58.200 0.066 0.000 0.907 403 S CB -0.956 62.273 63.200 0.048 0.000 0.790 403 S HN 0.134 nan 8.310 nan 0.000 0.510 404 S N 3.361 119.129 115.700 0.112 0.000 2.562 404 S HA 0.421 4.892 4.470 0.002 0.000 0.281 404 S C -2.275 172.407 174.600 0.137 0.000 1.333 404 S CA -1.035 57.236 58.200 0.119 0.000 1.052 404 S CB 0.253 63.546 63.200 0.155 0.000 0.884 404 S HN 0.331 nan 8.310 nan 0.000 0.506 405 P HA 0.209 nan 4.420 nan 0.000 0.279 405 P C -1.213 176.164 177.300 0.128 0.000 1.276 405 P CA -0.645 62.526 63.100 0.117 0.000 0.801 405 P CB 0.368 32.112 31.700 0.073 0.000 1.127 406 Y N 1.064 121.387 120.300 0.038 0.000 2.350 406 Y HA 0.325 4.876 4.550 0.002 0.000 0.340 406 Y C -0.067 175.794 175.900 -0.065 0.000 1.006 406 Y CA -0.297 57.799 58.100 -0.008 0.000 1.166 406 Y CB 0.263 38.759 38.460 0.060 0.000 1.168 406 Y HN 0.079 nan 8.280 nan 0.000 0.502 407 I N 9.502 129.845 120.570 -0.377 0.000 2.428 407 I HA 0.260 4.431 4.170 0.002 0.000 0.279 407 I C -2.492 173.449 176.117 -0.293 0.000 1.040 407 I CA -2.469 58.692 61.300 -0.232 0.000 1.171 407 I CB 0.717 38.590 38.000 -0.212 0.000 1.312 407 I HN 0.510 nan 8.210 nan 0.000 0.470 408 P HA 0.066 nan 4.420 nan 0.000 0.260 408 P C 1.086 178.336 177.300 -0.084 0.000 1.172 408 P CA 0.922 64.015 63.100 -0.012 0.000 0.760 408 P CB 0.561 32.305 31.700 0.074 0.000 0.773 409 G N 1.342 110.083 108.800 -0.099 0.000 2.184 409 G HA2 -0.282 3.679 3.960 0.002 0.000 0.264 409 G HA3 -0.282 3.679 3.960 0.002 0.000 0.264 409 G C 0.231 175.076 174.900 -0.091 0.000 0.975 409 G CA 0.317 45.370 45.100 -0.078 0.000 0.642 409 G HN 0.632 nan 8.290 nan 0.000 0.536 410 K N 0.165 120.471 120.400 -0.156 0.000 2.138 410 K HA 0.673 4.994 4.320 0.002 0.000 0.263 410 K C 0.353 176.845 176.600 -0.180 0.000 0.965 410 K CA -1.079 55.120 56.287 -0.147 0.000 0.868 410 K CB 0.730 33.135 32.500 -0.159 0.000 1.083 410 K HN 0.184 nan 8.250 nan 0.000 0.443 411 R N 2.800 123.233 120.500 -0.112 0.000 2.664 411 R HA 0.396 4.737 4.340 0.002 0.000 0.281 411 R C -0.464 175.795 176.300 -0.068 0.000 1.383 411 R CA -0.369 55.678 56.100 -0.089 0.000 1.563 411 R CB 0.164 30.440 30.300 -0.040 0.000 1.131 411 R HN 0.789 nan 8.270 nan 0.000 0.599 412 G N 0.716 109.458 108.800 -0.097 0.000 2.671 412 G HA2 0.175 4.136 3.960 0.002 0.000 0.275 412 G HA3 0.175 4.136 3.960 0.002 0.000 0.275 412 G C -0.127 174.760 174.900 -0.022 0.000 1.368 412 G CA -0.642 44.424 45.100 -0.057 0.000 1.044 412 G HN 0.409 nan 8.290 nan 0.000 0.543 413 K N -0.346 120.054 120.400 -0.000 0.000 2.444 413 K HA 0.053 4.374 4.320 0.002 0.000 0.193 413 K C 1.684 178.323 176.600 0.064 0.000 1.024 413 K CA 0.031 56.337 56.287 0.031 0.000 1.077 413 K CB 0.062 32.577 32.500 0.025 0.000 0.833 413 K HN 0.387 nan 8.250 nan 0.000 0.517 414 N N -0.237 118.499 118.700 0.059 0.000 2.309 414 N HA -0.096 4.645 4.740 0.002 0.000 0.182 414 N C -0.410 175.327 175.510 0.379 0.000 1.018 414 N CA 0.589 53.724 53.050 0.141 0.000 0.876 414 N CB 0.201 38.727 38.487 0.064 0.000 0.972 414 N HN 0.067 nan 8.380 nan 0.000 0.434 415 W N 1.191 122.475 121.300 -0.027 0.000 2.702 415 W HA 0.560 5.222 4.660 0.002 0.000 0.331 415 W C -0.922 175.577 176.519 -0.034 0.000 1.049 415 W CA -0.669 56.658 57.345 -0.031 0.000 1.230 415 W CB 0.490 29.927 29.460 -0.039 0.000 1.408 415 W HN -0.231 nan 8.180 nan 0.000 0.492 416 L N 3.594 124.909 121.223 0.153 0.000 2.410 416 L HA 0.512 4.853 4.340 0.002 0.000 0.270 416 L C -0.095 176.788 176.870 0.022 0.000 0.983 416 L CA -1.206 53.677 54.840 0.072 0.000 0.822 416 L CB 1.902 43.982 42.059 0.034 0.000 1.285 416 L HN 0.276 nan 8.230 nan 0.000 0.409 417 K N 2.205 122.615 120.400 0.017 0.000 2.183 417 K HA 0.603 4.924 4.320 0.002 0.000 0.274 417 K C -0.812 175.779 176.600 -0.016 0.000 1.009 417 K CA -0.694 55.585 56.287 -0.013 0.000 0.888 417 K CB 2.601 35.094 32.500 -0.011 0.000 1.078 417 K HN 0.290 nan 8.250 nan 0.000 0.459 418 V N 4.240 124.145 119.914 -0.016 0.000 2.376 418 V HA 0.357 4.478 4.120 0.002 0.000 0.287 418 V C -1.247 174.908 176.094 0.102 0.000 1.015 418 V CA -0.448 61.848 62.300 -0.006 0.000 0.834 418 V CB 0.774 32.542 31.823 -0.092 0.000 1.001 418 V HN 0.930 nan 8.190 nan 0.000 0.428 419 K N 5.052 125.506 120.400 0.090 0.000 2.395 419 K HA 0.819 5.140 4.320 0.002 0.000 0.247 419 K C 0.588 177.254 176.600 0.110 0.000 0.973 419 K CA -0.278 56.073 56.287 0.106 0.000 0.828 419 K CB 2.285 34.776 32.500 -0.015 0.000 1.272 419 K HN 0.448 nan 8.250 nan 0.000 0.439 420 A N 1.994 124.848 122.820 0.057 0.000 1.873 420 A HA 0.006 4.327 4.320 0.002 0.000 0.215 420 A C 1.280 178.849 177.584 -0.025 0.000 1.186 420 A CA 0.950 53.006 52.037 0.032 0.000 0.616 420 A CB -0.839 18.115 19.000 -0.076 0.000 0.823 420 A HN 0.759 nan 8.150 nan 0.000 0.442 421 I N -1.531 119.004 120.570 -0.058 0.000 2.764 421 I HA 0.442 4.612 4.170 0.002 0.000 0.294 421 I C 0.459 176.530 176.117 -0.077 0.000 1.045 421 I CA -0.939 60.317 61.300 -0.074 0.000 1.340 421 I CB 0.793 38.743 38.000 -0.083 0.000 1.436 421 I HN 0.457 nan 8.210 nan 0.000 0.567 422 M N 1.288 120.824 119.600 -0.107 0.000 2.159 422 M HA 0.472 4.953 4.480 0.002 0.000 0.293 422 M C -0.183 176.043 176.300 -0.122 0.000 1.186 422 M CA -0.454 54.768 55.300 -0.130 0.000 1.073 422 M CB 0.339 32.816 32.600 -0.205 0.000 1.419 422 M HN 0.459 nan 8.290 nan 0.000 0.490 423 E N 2.100 122.246 120.200 -0.090 0.000 2.366 423 E HA 0.238 4.589 4.350 0.002 0.000 0.266 423 E C -0.203 176.396 176.600 -0.002 0.000 1.051 423 E CA 0.061 56.454 56.400 -0.013 0.000 0.884 423 E CB 1.120 30.868 29.700 0.080 0.000 1.006 423 E HN 0.759 nan 8.360 nan 0.000 0.417 424 T N -0.789 113.792 114.554 0.045 0.000 2.936 424 T HA 0.712 5.063 4.350 0.002 0.000 0.282 424 T C 0.295 175.100 174.700 0.176 0.000 1.003 424 T CA -0.837 61.334 62.100 0.119 0.000 1.005 424 T CB 0.794 69.698 68.868 0.061 0.000 1.097 424 T HN 0.245 nan 8.240 nan 0.000 0.532 425 L N 0.622 121.966 121.223 0.201 0.000 2.354 425 L HA 0.532 4.873 4.340 0.002 0.000 0.269 425 L C -0.418 176.527 176.870 0.126 0.000 1.005 425 L CA -1.003 53.921 54.840 0.140 0.000 0.819 425 L CB 2.038 44.157 42.059 0.100 0.000 1.311 425 L HN 0.714 nan 8.230 nan 0.000 0.423 426 D N 3.374 123.839 120.400 0.108 0.000 2.344 426 D HA 0.581 5.222 4.640 0.002 0.000 0.239 426 D C -0.956 175.409 176.300 0.109 0.000 1.064 426 D CA -0.164 53.912 54.000 0.126 0.000 0.829 426 D CB 2.158 43.034 40.800 0.127 0.000 1.129 426 D HN 0.205 nan 8.370 nan 0.000 0.506 427 L N 1.665 122.965 121.223 0.128 0.000 2.370 427 L HA 0.428 4.769 4.340 0.002 0.000 0.266 427 L C -0.082 176.826 176.870 0.063 0.000 1.002 427 L CA -1.206 53.686 54.840 0.086 0.000 0.818 427 L CB 2.370 44.479 42.059 0.084 0.000 1.325 427 L HN -0.007 nan 8.230 nan 0.000 0.418 428 V N 2.428 122.361 119.914 0.031 0.000 2.614 428 V HA 0.091 4.211 4.120 0.002 0.000 0.291 428 V C 0.253 176.327 176.094 -0.033 0.000 1.049 428 V CA -0.577 61.729 62.300 0.010 0.000 1.038 428 V CB 1.431 33.268 31.823 0.024 0.000 0.980 428 V HN 0.412 nan 8.190 nan 0.000 0.481 429 V N 6.189 126.051 119.914 -0.086 0.000 2.370 429 V HA 0.070 4.191 4.120 0.002 0.000 0.257 429 V C 0.940 177.078 176.094 0.074 0.000 1.064 429 V CA 0.270 62.513 62.300 -0.096 0.000 0.975 429 V CB 0.853 32.531 31.823 -0.241 0.000 1.067 429 V HN 0.848 nan 8.190 nan 0.000 0.485 430 V N 1.999 121.960 119.914 0.079 0.000 3.590 430 V HA 0.691 4.812 4.120 0.002 0.000 0.265 430 V C 0.817 176.938 176.094 0.045 0.000 1.239 430 V CA 0.952 63.305 62.300 0.088 0.000 1.117 430 V CB -0.087 31.744 31.823 0.014 0.000 0.818 430 V HN 0.824 nan 8.190 nan 0.000 0.451 431 G N -1.685 107.144 108.800 0.047 0.000 2.548 431 G HA2 0.712 4.673 3.960 0.002 0.000 0.301 431 G HA3 0.712 4.673 3.960 0.002 0.000 0.301 431 G C -0.686 174.125 174.900 -0.147 0.000 1.349 431 G CA -0.107 44.816 45.100 -0.295 0.000 0.792 431 G HN 1.003 nan 8.290 nan 0.000 0.481 432 G N -1.466 107.105 108.800 -0.381 0.000 2.495 432 G HA2 0.626 4.587 3.960 0.002 0.000 0.294 432 G HA3 0.626 4.587 3.960 0.002 0.000 0.294 432 G C -1.952 172.701 174.900 -0.411 0.000 1.397 432 G CA -0.548 44.336 45.100 -0.360 0.000 0.790 432 G HN 0.597 nan 8.290 nan 0.000 0.486 433 E N -0.662 119.259 120.200 -0.466 0.000 2.292 433 E HA 0.319 4.670 4.350 0.002 0.000 0.272 433 E C -1.310 175.075 176.600 -0.360 0.000 0.881 433 E CA -0.610 55.595 56.400 -0.324 0.000 0.754 433 E CB 2.379 31.973 29.700 -0.178 0.000 1.201 433 E HN 0.480 nan 8.360 nan 0.000 0.425 434 W N 1.436 122.677 121.300 -0.098 0.000 2.181 434 W HA 0.275 4.936 4.660 0.002 0.000 0.335 434 W C 1.264 177.748 176.519 -0.059 0.000 1.310 434 W CA -0.142 57.166 57.345 -0.060 0.000 1.226 434 W CB 0.537 29.978 29.460 -0.030 0.000 1.155 434 W HN 0.620 nan 8.180 nan 0.000 0.565 435 G N 1.854 110.795 108.800 0.234 0.000 2.583 435 G HA2 0.348 4.309 3.960 0.002 0.000 0.275 435 G HA3 0.348 4.309 3.960 0.002 0.000 0.275 435 G C -0.455 174.515 174.900 0.117 0.000 1.342 435 G CA -0.435 44.744 45.100 0.133 0.000 1.030 435 G HN 0.459 nan 8.290 nan 0.000 0.520 436 E N -1.410 118.832 120.200 0.071 0.000 2.369 436 E HA 0.560 4.910 4.350 0.002 0.000 0.270 436 E C 0.696 177.314 176.600 0.029 0.000 0.909 436 E CA -0.085 56.343 56.400 0.047 0.000 0.775 436 E CB 0.833 30.559 29.700 0.043 0.000 1.270 436 E HN 1.702 nan 8.360 nan 0.000 0.445 437 G N 3.272 112.080 108.800 0.014 0.000 2.620 437 G HA2 -0.410 3.551 3.960 0.002 0.000 0.315 437 G HA3 -0.410 3.551 3.960 0.002 0.000 0.315 437 G C 0.932 175.831 174.900 -0.002 0.000 1.179 437 G CA 0.673 45.776 45.100 0.004 0.000 0.971 437 G HN 0.544 nan 8.290 nan 0.000 0.544 438 K N 0.774 121.174 120.400 0.001 0.000 2.031 438 K HA 0.039 4.360 4.320 0.002 0.000 0.205 438 K C 2.486 179.086 176.600 0.001 0.000 1.049 438 K CA 1.277 57.560 56.287 -0.007 0.000 0.939 438 K CB -0.327 32.168 32.500 -0.008 0.000 0.717 438 K HN 0.461 nan 8.250 nan 0.000 0.438 439 R N 1.053 121.531 120.500 -0.037 0.000 2.369 439 R HA 0.004 4.345 4.340 0.002 0.000 0.200 439 R C 1.883 178.104 176.300 -0.130 0.000 1.046 439 R CA 0.218 56.232 56.100 -0.145 0.000 1.057 439 R CB -0.849 29.501 30.300 0.084 0.000 0.888 439 R HN 0.122 nan 8.270 nan 0.000 0.474 440 S N 1.531 117.216 115.700 -0.025 0.000 2.419 440 S HA -0.159 4.312 4.470 0.002 0.000 0.235 440 S C 1.693 176.308 174.600 0.024 0.000 1.019 440 S CA 1.238 59.451 58.200 0.022 0.000 0.982 440 S CB -0.198 62.996 63.200 -0.011 0.000 0.789 440 S HN 0.608 nan 8.310 nan 0.000 0.490 441 H N -2.133 116.850 119.070 -0.145 0.000 2.547 441 H HA 0.125 4.682 4.556 0.002 0.000 0.266 441 H C -0.334 175.116 175.328 0.203 0.000 0.988 441 H CA -0.067 55.908 56.048 -0.121 0.000 1.147 441 H CB -0.353 29.237 29.762 -0.287 0.000 1.365 441 H HN 0.405 nan 8.280 nan 0.000 0.589 442 W N 1.122 122.394 121.300 -0.048 0.000 2.689 442 W HA 0.463 5.124 4.660 0.002 0.000 0.340 442 W C -0.283 176.306 176.519 0.115 0.000 1.060 442 W CA -1.811 55.553 57.345 0.033 0.000 1.218 442 W CB 1.109 30.447 29.460 -0.203 0.000 1.410 442 W HN -0.115 nan 8.180 nan 0.000 0.528 443 L N 2.613 123.899 121.223 0.105 0.000 2.453 443 L HA 0.031 4.372 4.340 0.002 0.000 0.272 443 L C 1.434 178.106 176.870 -0.330 0.000 1.182 443 L CA 0.485 55.121 54.840 -0.340 0.000 0.858 443 L CB 0.588 42.361 42.059 -0.478 0.000 1.120 443 L HN 0.584 nan 8.230 nan 0.000 0.474 444 S N -0.608 114.832 115.700 -0.435 0.000 2.554 444 S HA 0.131 4.602 4.470 0.002 0.000 0.227 444 S C 0.521 174.819 174.600 -0.505 0.000 1.050 444 S CA -0.228 57.770 58.200 -0.337 0.000 0.927 444 S CB 0.677 63.817 63.200 -0.100 0.000 0.859 444 S HN 0.517 nan 8.310 nan 0.000 0.494 445 S N -0.013 115.233 115.700 -0.755 0.000 2.549 445 S HA 0.786 5.257 4.470 0.002 0.000 0.280 445 S C -2.106 172.013 174.600 -0.803 0.000 1.109 445 S CA -0.710 57.184 58.200 -0.511 0.000 0.905 445 S CB 0.988 64.062 63.200 -0.209 0.000 1.081 445 S HN 0.304 nan 8.310 nan 0.000 0.477 446 F N 2.016 122.011 119.950 0.075 0.000 2.561 446 F HA 0.452 4.980 4.527 0.002 0.000 0.313 446 F C 0.159 176.012 175.800 0.088 0.000 1.126 446 F CA -0.850 57.206 58.000 0.094 0.000 0.918 446 F CB 1.595 40.751 39.000 0.260 0.000 1.199 446 F HN 0.352 nan 8.300 nan 0.000 0.444 447 E N 4.053 124.351 120.200 0.164 0.000 2.283 447 E HA 0.495 4.846 4.350 0.002 0.000 0.278 447 E C -0.766 175.865 176.600 0.052 0.000 1.027 447 E CA -0.295 56.143 56.400 0.064 0.000 0.843 447 E CB 1.755 31.446 29.700 -0.015 0.000 1.062 447 E HN 0.545 nan 8.360 nan 0.000 0.401 448 L N 1.179 122.400 121.223 -0.003 0.000 2.365 448 L HA 0.740 5.080 4.340 0.002 0.000 0.273 448 L C -0.312 176.512 176.870 -0.075 0.000 1.000 448 L CA -0.976 53.864 54.840 -0.000 0.000 0.819 448 L CB 1.960 44.065 42.059 0.077 0.000 1.284 448 L HN 0.470 nan 8.230 nan 0.000 0.418 449 A N 1.317 124.113 122.820 -0.040 0.000 2.449 449 A HA 0.757 5.078 4.320 0.002 0.000 0.302 449 A C -0.432 177.143 177.584 -0.014 0.000 1.048 449 A CA -0.651 51.357 52.037 -0.049 0.000 0.708 449 A CB 1.468 20.444 19.000 -0.039 0.000 1.274 449 A HN 0.908 nan 8.150 nan 0.000 0.410 450 C N 0.959 120.251 119.300 -0.014 0.000 2.328 450 C HA 0.876 5.337 4.460 0.002 0.000 0.378 450 C C 0.048 175.046 174.990 0.014 0.000 1.249 450 C CA -0.882 58.138 59.018 0.003 0.000 2.204 450 C CB 0.149 27.884 27.740 -0.008 0.000 2.218 450 C HN 1.062 nan 8.230 nan 0.000 0.564 451 L N 1.648 122.884 121.223 0.022 0.000 2.309 451 L HA 0.497 4.838 4.340 0.002 0.000 0.282 451 L C -0.345 176.543 176.870 0.031 0.000 1.036 451 L CA 0.329 55.187 54.840 0.030 0.000 0.806 451 L CB 0.959 43.041 42.059 0.039 0.000 1.220 451 L HN 0.854 nan 8.230 nan 0.000 0.429 452 D N 6.506 126.925 120.400 0.032 0.000 2.380 452 D HA 0.286 4.927 4.640 0.002 0.000 0.230 452 D C -1.887 174.436 176.300 0.037 0.000 1.154 452 D CA -2.182 51.839 54.000 0.034 0.000 0.859 452 D CB 1.575 42.394 40.800 0.032 0.000 1.045 452 D HN 0.387 nan 8.370 nan 0.000 0.495 453 P HA -0.112 nan 4.420 nan 0.000 0.233 453 P C 1.386 178.713 177.300 0.045 0.000 1.167 453 P CA 0.311 63.441 63.100 0.049 0.000 0.770 453 P CB 0.339 32.072 31.700 0.055 0.000 0.837 454 V N 0.119 120.055 119.914 0.037 0.000 2.446 454 V HA -0.064 4.057 4.120 0.002 0.000 0.244 454 V C 2.099 178.207 176.094 0.024 0.000 1.039 454 V CA 2.642 64.959 62.300 0.030 0.000 1.045 454 V CB -1.581 30.257 31.823 0.026 0.000 0.681 454 V HN 0.230 nan 8.190 nan 0.000 0.459 455 T N -3.708 110.860 114.554 0.023 0.000 3.022 455 T HA 0.359 4.710 4.350 0.002 0.000 0.250 455 T C 1.790 176.503 174.700 0.022 0.000 1.060 455 T CA 0.907 63.017 62.100 0.017 0.000 1.013 455 T CB 0.278 69.154 68.868 0.013 0.000 0.982 455 T HN 1.621 nan 8.240 nan 0.000 0.508 456 G N 1.754 110.572 108.800 0.030 0.000 2.175 456 G HA2 -0.299 3.662 3.960 0.002 0.000 0.265 456 G HA3 -0.299 3.662 3.960 0.002 0.000 0.265 456 G C 0.018 174.936 174.900 0.030 0.000 0.979 456 G CA 0.471 45.592 45.100 0.035 0.000 0.663 456 G HN 0.677 nan 8.290 nan 0.000 0.533 457 K N -0.351 120.064 120.400 0.025 0.000 2.295 457 K HA 0.499 4.820 4.320 0.002 0.000 0.270 457 K C 0.256 176.870 176.600 0.023 0.000 1.011 457 K CA -0.623 55.678 56.287 0.022 0.000 0.953 457 K CB 0.647 33.158 32.500 0.018 0.000 0.956 457 K HN 0.009 nan 8.250 nan 0.000 0.477 458 L N 4.027 125.261 121.223 0.019 0.000 2.264 458 L HA 0.340 4.681 4.340 0.002 0.000 0.289 458 L C -0.501 176.373 176.870 0.007 0.000 1.044 458 L CA -0.087 54.761 54.840 0.013 0.000 0.807 458 L CB 0.643 42.708 42.059 0.011 0.000 1.192 458 L HN 0.461 nan 8.230 nan 0.000 0.425 459 L N 4.150 125.377 121.223 0.006 0.000 2.280 459 L HA 0.417 4.758 4.340 0.002 0.000 0.287 459 L C 0.649 177.497 176.870 -0.036 0.000 1.023 459 L CA -0.734 54.110 54.840 0.007 0.000 0.819 459 L CB 1.073 43.153 42.059 0.036 0.000 1.212 459 L HN 0.493 nan 8.230 nan 0.000 0.420 460 K N 1.665 122.015 120.400 -0.083 0.000 2.485 460 K HA 0.092 4.413 4.320 0.002 0.000 0.277 460 K C 0.321 176.702 176.600 -0.364 0.000 0.990 460 K CA 0.079 56.196 56.287 -0.283 0.000 0.994 460 K CB 1.582 33.838 32.500 -0.406 0.000 0.906 460 K HN 0.405 nan 8.250 nan 0.000 0.488 461 V N 0.799 120.424 119.914 -0.481 0.000 3.380 461 V HA 0.194 4.315 4.120 0.002 0.000 0.277 461 V C 0.235 176.211 176.094 -0.197 0.000 1.590 461 V CA 0.666 62.836 62.300 -0.216 0.000 1.019 461 V CB 1.141 32.920 31.823 -0.072 0.000 0.828 461 V HN 1.063 nan 8.190 nan 0.000 0.427 462 G N -0.052 108.505 108.800 -0.406 0.000 2.317 462 G HA2 0.457 4.418 3.960 0.002 0.000 0.293 462 G HA3 0.457 4.418 3.960 0.002 0.000 0.293 462 G C -1.856 173.044 174.900 0.000 0.000 1.287 462 G CA -0.592 44.478 45.100 -0.050 0.000 0.850 462 G HN 0.050 nan 8.290 nan 0.000 0.515 463 R N -0.617 119.975 120.500 0.153 0.000 2.584 463 R HA 0.646 4.987 4.340 0.002 0.000 0.276 463 R C -2.041 174.407 176.300 0.246 0.000 1.046 463 R CA -0.566 55.647 56.100 0.187 0.000 0.906 463 R CB 2.095 32.501 30.300 0.177 0.000 1.215 463 R HN 0.910 nan 8.270 nan 0.000 0.449 464 V N 3.163 123.285 119.914 0.346 0.000 2.656 464 V HA 0.764 4.885 4.120 0.002 0.000 0.307 464 V C -0.315 176.113 176.094 0.557 0.000 1.051 464 V CA 0.277 62.842 62.300 0.442 0.000 0.893 464 V CB 1.757 33.887 31.823 0.512 0.000 0.999 464 V HN 0.967 nan 8.190 nan 0.000 0.426 465 A N 3.774 126.893 122.820 0.499 0.000 2.425 465 A HA 0.406 4.727 4.320 0.002 0.000 0.201 465 A C 0.769 178.677 177.584 0.540 0.000 1.431 465 A CA 0.713 53.042 52.037 0.487 0.000 1.066 465 A CB 0.120 19.268 19.000 0.247 0.000 1.318 465 A HN 1.006 nan 8.150 nan 0.000 0.534 466 T N -3.548 111.227 114.554 0.368 0.000 2.928 466 T HA 0.541 4.892 4.350 0.002 0.000 0.284 466 T C 1.013 175.729 174.700 0.026 0.000 1.008 466 T CA 0.353 62.588 62.100 0.225 0.000 1.057 466 T CB 1.465 70.433 68.868 0.167 0.000 1.018 466 T HN 1.771 nan 8.240 nan 0.000 0.493 467 G N 0.518 109.315 108.800 -0.006 0.000 2.179 467 G HA2 -0.152 3.809 3.960 0.002 0.000 0.220 467 G HA3 -0.152 3.809 3.960 0.002 0.000 0.220 467 G C -0.226 174.591 174.900 -0.139 0.000 0.990 467 G CA -0.550 44.485 45.100 -0.109 0.000 0.646 467 G HN 0.692 nan 8.290 nan 0.000 0.517 468 F N 2.414 122.414 119.950 0.084 0.000 2.408 468 F HA 0.603 5.131 4.527 0.002 0.000 0.344 468 F C 1.285 177.058 175.800 -0.044 0.000 1.112 468 F CA 0.024 58.001 58.000 -0.039 0.000 1.096 468 F CB 1.480 40.385 39.000 -0.158 0.000 1.129 468 F HN 0.171 nan 8.300 nan 0.000 0.486 469 T N -1.619 112.998 114.554 0.105 0.000 2.816 469 T HA 0.200 4.551 4.350 0.002 0.000 0.282 469 T C 1.002 175.647 174.700 -0.090 0.000 0.993 469 T CA -0.451 61.659 62.100 0.015 0.000 0.994 469 T CB 1.040 69.903 68.868 -0.009 0.000 1.025 469 T HN 0.788 nan 8.240 nan 0.000 0.529 470 E N 0.211 120.323 120.200 -0.147 0.000 2.216 470 E HA -0.165 4.186 4.350 0.002 0.000 0.192 470 E C 1.825 178.090 176.600 -0.558 0.000 0.988 470 E CA 1.017 57.165 56.400 -0.419 0.000 0.834 470 E CB -0.286 29.269 29.700 -0.242 0.000 0.772 470 E HN 0.926 nan 8.360 nan 0.000 0.479 471 E N 1.630 121.676 120.200 -0.257 0.000 2.106 471 E HA -0.236 4.115 4.350 0.002 0.000 0.192 471 E C 1.279 177.741 176.600 -0.229 0.000 0.984 471 E CA 1.216 57.496 56.400 -0.199 0.000 0.806 471 E CB -0.208 29.443 29.700 -0.081 0.000 0.750 471 E HN 0.113 nan 8.360 nan 0.000 0.458 472 D N 1.458 121.744 120.400 -0.190 0.000 2.106 472 D HA -0.171 4.470 4.640 0.002 0.000 0.191 472 D C 2.209 178.328 176.300 -0.302 0.000 0.997 472 D CA 1.295 55.191 54.000 -0.173 0.000 0.834 472 D CB -0.238 40.537 40.800 -0.042 0.000 0.956 472 D HN 0.274 nan 8.370 nan 0.000 0.448 473 L N 0.613 121.562 121.223 -0.456 0.000 2.093 473 L HA -0.137 4.204 4.340 0.002 0.000 0.208 473 L C 2.388 178.860 176.870 -0.663 0.000 1.085 473 L CA 0.962 55.449 54.840 -0.589 0.000 0.755 473 L CB -0.367 41.234 42.059 -0.764 0.000 0.904 473 L HN 0.018 nan 8.230 nan 0.000 0.435 474 E N 0.314 120.031 120.200 -0.806 0.000 2.038 474 E HA -0.247 4.104 4.350 0.002 0.000 0.195 474 E C 2.118 178.664 176.600 -0.090 0.000 1.000 474 E CA 1.549 57.764 56.400 -0.309 0.000 0.803 474 E CB -0.014 29.639 29.700 -0.079 0.000 0.750 474 E HN 0.498 nan 8.360 nan 0.000 0.448 475 E N 0.383 120.495 120.200 -0.147 0.000 2.072 475 E HA -0.155 4.196 4.350 0.002 0.000 0.191 475 E C 2.166 178.666 176.600 -0.168 0.000 0.985 475 E CA 0.750 57.078 56.400 -0.121 0.000 0.801 475 E CB -0.003 29.617 29.700 -0.134 0.000 0.750 475 E HN 0.223 nan 8.360 nan 0.000 0.452 476 L N 0.495 121.597 121.223 -0.203 0.000 2.156 476 L HA -0.106 4.235 4.340 0.002 0.000 0.208 476 L C 2.458 179.294 176.870 -0.057 0.000 1.095 476 L CA 0.939 55.627 54.840 -0.254 0.000 0.770 476 L CB -0.374 41.551 42.059 -0.223 0.000 0.914 476 L HN 0.145 nan 8.230 nan 0.000 0.439 477 T N -0.811 113.790 114.554 0.080 0.000 2.746 477 T HA -0.146 4.204 4.350 0.002 0.000 0.267 477 T C 1.774 176.597 174.700 0.206 0.000 1.039 477 T CA 1.134 63.364 62.100 0.218 0.000 1.142 477 T CB -0.086 68.984 68.868 0.335 0.000 0.866 477 T HN 0.274 nan 8.240 nan 0.000 0.444 478 E N 1.467 121.740 120.200 0.122 0.000 2.106 478 E HA -0.068 4.283 4.350 0.002 0.000 0.192 478 E C 2.216 178.846 176.600 0.051 0.000 0.984 478 E CA 0.910 57.376 56.400 0.109 0.000 0.806 478 E CB -0.401 29.347 29.700 0.079 0.000 0.750 478 E HN 0.693 nan 8.360 nan 0.000 0.458 479 M N -2.011 117.531 119.600 -0.096 0.000 2.506 479 M HA 0.100 4.581 4.480 0.002 0.000 0.260 479 M C 1.287 177.529 176.300 -0.097 0.000 1.104 479 M CA 1.091 56.278 55.300 -0.189 0.000 1.112 479 M CB -0.028 32.260 32.600 -0.521 0.000 1.401 479 M HN -0.163 nan 8.290 nan 0.000 0.473 480 F N 1.051 120.972 119.950 -0.049 0.000 2.505 480 F HA 0.311 4.839 4.527 0.002 0.000 0.289 480 F C 2.609 178.470 175.800 0.103 0.000 1.101 480 F CA 0.185 58.107 58.000 -0.131 0.000 1.446 480 F CB -0.614 38.117 39.000 -0.448 0.000 1.123 480 F HN 0.140 nan 8.300 nan 0.000 0.564 481 R N 0.836 121.568 120.500 0.386 0.000 2.133 481 R HA -0.210 4.131 4.340 0.002 0.000 0.245 481 R C -0.773 175.739 176.300 0.352 0.000 1.137 481 R CA 2.380 58.719 56.100 0.398 0.000 0.947 481 R CB -1.530 28.983 30.300 0.355 0.000 0.865 481 R HN 0.120 nan 8.270 nan 0.000 0.437 482 P HA -0.107 nan 4.420 nan 0.000 0.222 482 P C 0.601 178.097 177.300 0.326 0.000 1.147 482 P CA 1.178 64.451 63.100 0.289 0.000 0.790 482 P CB 0.018 31.872 31.700 0.258 0.000 0.780 483 L N -1.681 119.760 121.223 0.363 0.000 2.592 483 L HA 0.152 4.493 4.340 0.002 0.000 0.227 483 L C 0.895 178.022 176.870 0.428 0.000 1.127 483 L CA -0.322 54.742 54.840 0.373 0.000 0.884 483 L CB -0.405 41.891 42.059 0.396 0.000 1.065 483 L HN -0.078 nan 8.230 nan 0.000 0.457 484 I N 0.189 121.007 120.570 0.413 0.000 2.517 484 I HA -0.065 4.106 4.170 0.002 0.000 0.285 484 I C 0.942 177.166 176.117 0.177 0.000 1.106 484 I CA 0.329 61.795 61.300 0.278 0.000 1.402 484 I CB 1.517 39.678 38.000 0.268 0.000 1.399 484 I HN -0.119 nan 8.210 nan 0.000 0.535 485 V N 4.528 124.494 119.914 0.088 0.000 3.451 485 V HA 0.179 4.300 4.120 0.002 0.000 0.288 485 V C 0.149 176.262 176.094 0.031 0.000 1.502 485 V CA 0.433 62.780 62.300 0.080 0.000 1.026 485 V CB 0.928 32.799 31.823 0.080 0.000 0.840 485 V HN 0.767 nan 8.190 nan 0.000 0.437 486 S N 0.339 116.029 115.700 -0.016 0.000 2.562 486 S HA 0.551 5.022 4.470 0.002 0.000 0.274 486 S C -1.282 173.295 174.600 -0.040 0.000 1.160 486 S CA -0.420 57.762 58.200 -0.030 0.000 0.933 486 S CB 1.849 65.015 63.200 -0.058 0.000 1.100 486 S HN 0.347 nan 8.310 nan 0.000 0.468 487 Q N 3.199 123.000 119.800 0.001 0.000 2.337 487 Q HA 0.395 4.736 4.340 0.002 0.000 0.260 487 Q C -1.486 174.526 176.000 0.019 0.000 0.982 487 Q CA -0.327 55.494 55.803 0.030 0.000 0.734 487 Q CB 1.271 30.071 28.738 0.103 0.000 1.272 487 Q HN 0.749 nan 8.270 nan 0.000 0.461 488 Q N 3.067 122.870 119.800 0.006 0.000 2.626 488 Q HA 0.398 4.738 4.340 0.002 0.000 0.239 488 Q C 0.531 176.543 176.000 0.020 0.000 1.101 488 Q CA 0.121 55.926 55.803 0.003 0.000 0.918 488 Q CB 1.394 30.124 28.738 -0.013 0.000 1.151 488 Q HN 1.002 nan 8.270 nan 0.000 0.531 489 G N 2.237 111.057 108.800 0.033 0.000 2.889 489 G HA2 -0.374 3.587 3.960 0.002 0.000 0.308 489 G HA3 -0.374 3.587 3.960 0.002 0.000 0.308 489 G C 0.921 175.885 174.900 0.106 0.000 1.248 489 G CA 0.275 45.401 45.100 0.042 0.000 0.982 489 G HN 0.445 nan 8.290 nan 0.000 0.571 490 K N 1.096 121.559 120.400 0.104 0.000 2.242 490 K HA 0.142 4.463 4.320 0.002 0.000 0.200 490 K C 1.154 177.821 176.600 0.111 0.000 1.050 490 K CA 0.245 56.637 56.287 0.175 0.000 0.981 490 K CB 0.115 32.675 32.500 0.100 0.000 0.795 490 K HN 0.422 nan 8.250 nan 0.000 0.477 491 K N 2.294 122.706 120.400 0.020 0.000 2.412 491 K HA 0.069 4.390 4.320 0.002 0.000 0.284 491 K C -0.132 176.405 176.600 -0.105 0.000 1.046 491 K CA -0.125 56.120 56.287 -0.070 0.000 0.999 491 K CB 0.729 33.194 32.500 -0.059 0.000 0.941 491 K HN -0.101 nan 8.250 nan 0.000 0.474 492 V N 0.207 119.959 119.914 -0.270 0.000 2.864 492 V HA 0.517 4.638 4.120 0.002 0.000 0.314 492 V C -0.599 175.123 176.094 -0.619 0.000 1.073 492 V CA -0.973 61.093 62.300 -0.389 0.000 0.956 492 V CB 1.943 33.499 31.823 -0.444 0.000 1.023 492 V HN 0.679 nan 8.190 nan 0.000 0.435 493 E N 2.088 121.959 120.200 -0.548 0.000 2.227 493 E HA 0.663 5.014 4.350 0.002 0.000 0.268 493 E C -1.651 174.589 176.600 -0.600 0.000 0.907 493 E CA -0.436 55.640 56.400 -0.540 0.000 0.786 493 E CB 2.577 32.140 29.700 -0.229 0.000 1.191 493 E HN 0.681 nan 8.360 nan 0.000 0.411 494 F N 1.022 120.924 119.950 -0.079 0.000 2.507 494 F HA 0.433 4.961 4.527 0.002 0.000 0.327 494 F C 0.436 176.240 175.800 0.007 0.000 1.068 494 F CA -1.246 56.734 58.000 -0.033 0.000 0.965 494 F CB 0.951 39.900 39.000 -0.085 0.000 1.192 494 F HN 0.230 nan 8.300 nan 0.000 0.476 495 I N 4.803 125.525 120.570 0.253 0.000 2.752 495 I HA 0.002 4.173 4.170 0.002 0.000 0.286 495 I C -1.911 174.290 176.117 0.140 0.000 1.180 495 I CA -1.420 59.969 61.300 0.150 0.000 1.404 495 I CB -0.085 37.986 38.000 0.117 0.000 1.389 495 I HN 0.193 nan 8.210 nan 0.000 0.549 496 P HA 0.014 nan 4.420 nan 0.000 0.263 496 P C -0.065 177.229 177.300 -0.010 0.000 1.195 496 P CA 0.084 63.219 63.100 0.059 0.000 0.762 496 P CB 1.358 33.083 31.700 0.041 0.000 0.799 497 K N 2.389 122.752 120.400 -0.062 0.000 3.164 497 K HA 0.075 4.396 4.320 0.002 0.000 0.214 497 K C -0.161 176.242 176.600 -0.329 0.000 1.957 497 K CA 0.256 56.375 56.287 -0.281 0.000 1.446 497 K CB 0.323 32.516 32.500 -0.512 0.000 2.272 497 K HN 0.317 nan 8.250 nan 0.000 0.592 498 Y N 1.246 121.566 120.300 0.034 0.000 2.352 498 Y HA 0.418 4.969 4.550 0.001 0.000 0.326 498 Y C 0.103 175.988 175.900 -0.024 0.000 1.166 498 Y CA -0.943 57.148 58.100 -0.016 0.000 1.182 498 Y CB 1.860 40.237 38.460 -0.138 0.000 1.216 498 Y HN -0.307 nan 8.280 nan 0.000 0.474 499 V N 4.308 124.355 119.914 0.223 0.000 2.448 499 V HA 0.331 4.452 4.120 0.002 0.000 0.295 499 V C -0.767 175.550 176.094 0.371 0.000 1.025 499 V CA -0.958 61.452 62.300 0.182 0.000 0.859 499 V CB 1.114 33.034 31.823 0.162 0.000 0.988 499 V HN 0.453 nan 8.190 nan 0.000 0.431 500 F N 2.140 122.199 119.950 0.182 0.000 2.422 500 F HA 0.452 4.980 4.527 0.001 0.000 0.333 500 F C 0.587 176.440 175.800 0.089 0.000 1.095 500 F CA -1.620 56.491 58.000 0.186 0.000 1.038 500 F CB 1.368 40.557 39.000 0.315 0.000 1.156 500 F HN 0.539 nan 8.300 nan 0.000 0.483 501 E N 2.266 122.557 120.200 0.151 0.000 2.223 501 E HA 0.451 4.802 4.350 0.002 0.000 0.282 501 E C -1.509 175.084 176.600 -0.013 0.000 1.046 501 E CA -0.171 56.258 56.400 0.048 0.000 0.857 501 E CB 0.837 30.531 29.700 -0.011 0.000 1.055 501 E HN 0.387 nan 8.360 nan 0.000 0.409 502 V N 3.687 123.660 119.914 0.098 0.000 2.531 502 V HA 0.561 4.682 4.120 0.002 0.000 0.301 502 V C 0.015 176.211 176.094 0.171 0.000 1.034 502 V CA -0.752 61.631 62.300 0.138 0.000 0.865 502 V CB 1.375 33.336 31.823 0.230 0.000 0.995 502 V HN 0.835 nan 8.190 nan 0.000 0.424 503 A N 4.745 127.638 122.820 0.121 0.000 2.264 503 A HA 1.000 5.320 4.320 0.002 0.000 0.304 503 A C -0.909 176.819 177.584 0.240 0.000 1.100 503 A CA -0.359 51.742 52.037 0.106 0.000 0.839 503 A CB 1.020 20.010 19.000 -0.017 0.000 1.121 503 A HN 1.294 nan 8.150 nan 0.000 0.496 504 Y N -2.664 117.680 120.300 0.073 0.000 2.638 504 Y HA 0.574 5.125 4.550 0.002 0.000 0.335 504 Y C 0.344 176.314 175.900 0.116 0.000 1.155 504 Y CA -1.028 57.141 58.100 0.113 0.000 1.046 504 Y CB 0.886 39.409 38.460 0.105 0.000 1.303 504 Y HN 0.425 nan 8.280 nan 0.000 0.460 505 Q N 0.918 120.888 119.800 0.282 0.000 2.165 505 Q HA 0.176 4.517 4.340 0.002 0.000 0.197 505 Q C -0.451 175.704 176.000 0.257 0.000 0.952 505 Q CA 1.178 57.103 55.803 0.205 0.000 0.848 505 Q CB 0.605 29.556 28.738 0.356 0.000 0.931 505 Q HN 0.868 nan 8.270 nan 0.000 0.470 506 E N -0.579 119.882 120.200 0.434 0.000 2.375 506 E HA 0.378 4.729 4.350 0.002 0.000 0.280 506 E C -1.398 175.395 176.600 0.322 0.000 0.972 506 E CA -0.342 56.277 56.400 0.365 0.000 0.782 506 E CB 1.667 31.511 29.700 0.240 0.000 1.229 506 E HN -0.036 nan 8.360 nan 0.000 0.439 507 I N 3.653 124.365 120.570 0.237 0.000 2.315 507 I HA 0.201 4.372 4.170 0.002 0.000 0.291 507 I C -0.173 176.203 176.117 0.432 0.000 1.006 507 I CA -0.352 61.068 61.300 0.201 0.000 1.265 507 I CB 1.347 39.408 38.000 0.103 0.000 1.387 507 I HN 0.368 nan 8.210 nan 0.000 0.475 508 Q N 5.786 125.803 119.800 0.361 0.000 2.257 508 Q HA 0.512 4.853 4.340 0.002 0.000 0.262 508 Q C -0.944 175.215 176.000 0.264 0.000 0.997 508 Q CA -1.151 54.894 55.803 0.402 0.000 0.873 508 Q CB 1.792 30.668 28.738 0.229 0.000 1.312 508 Q HN 0.399 nan 8.270 nan 0.000 0.450 509 K N 1.093 121.559 120.400 0.109 0.000 2.298 509 K HA 0.380 4.701 4.320 0.002 0.000 0.280 509 K C -0.586 175.939 176.600 -0.124 0.000 1.032 509 K CA -0.065 56.081 56.287 -0.235 0.000 0.958 509 K CB 1.134 33.434 32.500 -0.332 0.000 0.978 509 K HN 0.503 nan 8.250 nan 0.000 0.472 510 S N 2.239 117.828 115.700 -0.185 0.000 2.535 510 S HA 0.330 4.801 4.470 0.002 0.000 0.272 510 S C -2.352 172.158 174.600 -0.150 0.000 1.149 510 S CA -1.170 56.956 58.200 -0.123 0.000 0.888 510 S CB 1.372 64.525 63.200 -0.078 0.000 1.110 510 S HN 0.417 nan 8.310 nan 0.000 0.463 511 P HA 0.095 nan 4.420 nan 0.000 0.245 511 P C 0.868 178.086 177.300 -0.136 0.000 1.206 511 P CA 0.191 63.219 63.100 -0.121 0.000 0.781 511 P CB -0.088 31.553 31.700 -0.099 0.000 0.994 512 K N -0.708 119.563 120.400 -0.215 0.000 2.283 512 K HA -0.099 4.222 4.320 0.002 0.000 0.202 512 K C -0.169 176.194 176.600 -0.396 0.000 1.048 512 K CA 0.819 56.894 56.287 -0.353 0.000 0.948 512 K CB -0.368 31.824 32.500 -0.513 0.000 0.742 512 K HN 0.052 nan 8.250 nan 0.000 0.458 513 Y N 1.433 121.715 120.300 -0.031 0.000 2.485 513 Y HA 0.143 4.694 4.550 0.002 0.000 0.345 513 Y C 0.908 176.791 175.900 -0.027 0.000 0.998 513 Y CA -1.678 56.411 58.100 -0.018 0.000 1.059 513 Y CB 1.765 40.227 38.460 0.003 0.000 1.234 513 Y HN -0.001 nan 8.280 nan 0.000 0.461 514 E N -0.348 119.954 120.200 0.169 0.000 2.208 514 E HA -0.271 4.080 4.350 0.002 0.000 0.202 514 E C 1.576 178.218 176.600 0.070 0.000 1.014 514 E CA 2.167 58.616 56.400 0.082 0.000 0.819 514 E CB -0.495 29.244 29.700 0.066 0.000 0.735 514 E HN 0.629 nan 8.360 nan 0.000 0.469 515 S N 0.330 116.097 115.700 0.110 0.000 2.423 515 S HA 0.074 4.545 4.470 0.002 0.000 0.231 515 S C 1.827 176.476 174.600 0.081 0.000 1.014 515 S CA 1.203 59.481 58.200 0.130 0.000 0.965 515 S CB -0.421 62.883 63.200 0.173 0.000 0.785 515 S HN 0.695 nan 8.310 nan 0.000 0.495 516 G N -0.492 108.282 108.800 -0.043 0.000 2.141 516 G HA2 -0.216 3.745 3.960 0.002 0.000 0.242 516 G HA3 -0.216 3.745 3.960 0.002 0.000 0.242 516 G C -0.185 174.319 174.900 -0.661 0.000 0.982 516 G CA 0.422 45.314 45.100 -0.346 0.000 0.662 516 G HN 0.609 nan 8.290 nan 0.000 0.527 517 Y N -0.471 119.837 120.300 0.015 0.000 2.562 517 Y HA 0.722 5.274 4.550 0.002 0.000 0.345 517 Y C 0.184 176.158 175.900 0.122 0.000 1.045 517 Y CA -0.485 57.616 58.100 0.003 0.000 1.028 517 Y CB 2.229 40.662 38.460 -0.045 0.000 1.297 517 Y HN 0.708 nan 8.280 nan 0.000 0.463 518 A N 2.603 125.584 122.820 0.268 0.000 2.422 518 A HA 0.762 5.083 4.320 0.002 0.000 0.302 518 A C -1.635 176.048 177.584 0.166 0.000 1.041 518 A CA -0.775 51.418 52.037 0.260 0.000 0.708 518 A CB 1.008 20.122 19.000 0.191 0.000 1.257 518 A HN 0.739 nan 8.150 nan 0.000 0.414 519 L N 1.723 123.023 121.223 0.129 0.000 2.331 519 L HA 0.468 4.809 4.340 0.002 0.000 0.278 519 L C 0.620 177.539 176.870 0.082 0.000 1.106 519 L CA -0.459 54.428 54.840 0.079 0.000 0.824 519 L CB 0.767 42.864 42.059 0.064 0.000 1.142 519 L HN 0.792 nan 8.230 nan 0.000 0.443 520 R N 3.700 124.249 120.500 0.082 0.000 2.229 520 R HA 0.328 4.669 4.340 0.002 0.000 0.328 520 R C -0.567 175.752 176.300 0.033 0.000 1.009 520 R CA -0.255 55.793 56.100 -0.086 0.000 0.864 520 R CB -0.042 30.235 30.300 -0.039 0.000 1.085 520 R HN 0.436 nan 8.270 nan 0.000 0.453 521 F N 3.698 123.744 119.950 0.160 0.000 2.905 521 F HA -0.199 4.329 4.527 0.001 0.000 0.291 521 F C -1.756 174.146 175.800 0.169 0.000 1.002 521 F CA -0.173 57.913 58.000 0.145 0.000 0.978 521 F CB -1.295 37.771 39.000 0.110 0.000 1.036 521 F HN 0.475 nan 8.300 nan 0.000 0.820 522 P HA 0.243 nan 4.420 nan 0.000 0.271 522 P C -0.430 177.017 177.300 0.244 0.000 1.218 522 P CA -0.031 63.234 63.100 0.275 0.000 0.780 522 P CB 1.502 33.348 31.700 0.244 0.000 0.901 523 R N 2.594 123.210 120.500 0.193 0.000 2.564 523 R HA 0.377 4.718 4.340 0.002 0.000 0.284 523 R C -1.244 175.079 176.300 0.038 0.000 1.031 523 R CA -0.842 55.324 56.100 0.110 0.000 0.904 523 R CB 0.942 31.285 30.300 0.071 0.000 1.199 523 R HN 0.301 nan 8.270 nan 0.000 0.443 524 F N 5.265 125.047 119.950 -0.280 0.000 2.504 524 F HA 0.137 4.666 4.527 0.002 0.000 0.369 524 F C 0.190 175.770 175.800 -0.367 0.000 1.082 524 F CA 0.220 57.929 58.000 -0.485 0.000 1.216 524 F CB 1.026 39.239 39.000 -1.311 0.000 1.108 524 F HN 0.319 nan 8.300 nan 0.000 0.554 525 V N 5.622 125.014 119.914 -0.870 0.000 2.484 525 V HA 0.208 4.329 4.120 0.002 0.000 0.236 525 V C 0.292 175.740 176.094 -1.077 0.000 1.062 525 V CA 0.993 62.873 62.300 -0.700 0.000 1.081 525 V CB -0.325 31.289 31.823 -0.348 0.000 0.751 525 V HN 0.821 nan 8.190 nan 0.000 0.484 526 R N -0.506 119.202 120.500 -1.319 0.000 2.712 526 R HA 0.480 4.821 4.340 0.002 0.000 0.272 526 R C -1.682 174.255 176.300 -0.605 0.000 1.032 526 R CA -0.908 54.578 56.100 -1.023 0.000 0.874 526 R CB 1.413 31.457 30.300 -0.426 0.000 1.256 526 R HN 0.103 nan 8.270 nan 0.000 0.468 527 L N 1.517 122.676 121.223 -0.107 0.000 2.410 527 L HA 0.324 4.665 4.340 0.002 0.000 0.273 527 L C -0.454 176.479 176.870 0.104 0.000 1.152 527 L CA 0.137 55.067 54.840 0.150 0.000 0.855 527 L CB 0.463 42.596 42.059 0.124 0.000 1.129 527 L HN 0.483 nan 8.230 nan 0.000 0.463 528 R N 4.118 124.735 120.500 0.195 0.000 2.522 528 R HA 0.179 4.520 4.340 0.002 0.000 0.290 528 R C 0.082 176.487 176.300 0.175 0.000 1.216 528 R CA -0.366 55.828 56.100 0.158 0.000 1.250 528 R CB 0.393 30.794 30.300 0.168 0.000 1.143 528 R HN 0.685 nan 8.270 nan 0.000 0.553 529 D N 1.191 121.677 120.400 0.144 0.000 2.219 529 D HA -0.146 4.495 4.640 0.002 0.000 0.205 529 D C 1.044 177.432 176.300 0.147 0.000 0.970 529 D CA 1.175 55.265 54.000 0.150 0.000 0.851 529 D CB 0.302 41.169 40.800 0.112 0.000 0.943 529 D HN 0.524 nan 8.370 nan 0.000 0.488 530 D N 0.500 120.993 120.400 0.156 0.000 2.392 530 D HA -0.112 4.529 4.640 0.002 0.000 0.228 530 D C 0.112 176.510 176.300 0.165 0.000 1.003 530 D CA 0.507 54.614 54.000 0.177 0.000 0.917 530 D CB -0.002 40.935 40.800 0.228 0.000 0.890 530 D HN 0.121 nan 8.370 nan 0.000 0.532 531 K N 1.005 121.496 120.400 0.152 0.000 2.463 531 K HA 0.231 4.552 4.320 0.002 0.000 0.255 531 K C -0.905 175.764 176.600 0.116 0.000 0.942 531 K CA -0.801 55.569 56.287 0.138 0.000 0.814 531 K CB 2.014 34.600 32.500 0.144 0.000 1.122 531 K HN -0.124 nan 8.250 nan 0.000 0.425 532 D N 1.338 121.795 120.400 0.095 0.000 2.383 532 D HA -0.036 4.605 4.640 0.002 0.000 0.248 532 D C 1.467 177.805 176.300 0.062 0.000 1.170 532 D CA -0.248 53.790 54.000 0.064 0.000 0.977 532 D CB 1.531 42.368 40.800 0.061 0.000 1.120 532 D HN 0.290 nan 8.370 nan 0.000 0.481 533 V N 0.031 119.968 119.914 0.038 0.000 2.594 533 V HA -0.231 3.890 4.120 0.002 0.000 0.253 533 V C 1.128 177.255 176.094 0.054 0.000 1.069 533 V CA 2.256 64.581 62.300 0.041 0.000 1.082 533 V CB -0.663 31.174 31.823 0.024 0.000 0.680 533 V HN 0.534 nan 8.190 nan 0.000 0.469 534 D N -0.987 119.449 120.400 0.061 0.000 2.349 534 D HA -0.032 4.609 4.640 0.002 0.000 0.224 534 D C 1.484 177.833 176.300 0.082 0.000 1.029 534 D CA 0.490 54.533 54.000 0.072 0.000 0.879 534 D CB -0.209 40.640 40.800 0.081 0.000 0.906 534 D HN 0.503 nan 8.370 nan 0.000 0.528 535 E N 0.113 120.363 120.200 0.083 0.000 2.501 535 E HA 0.291 4.642 4.350 0.002 0.000 0.200 535 E C 0.325 176.976 176.600 0.085 0.000 1.016 535 E CA -0.228 56.226 56.400 0.090 0.000 0.921 535 E CB 0.609 30.372 29.700 0.104 0.000 1.034 535 E HN 0.411 nan 8.360 nan 0.000 0.468 536 A N 1.202 124.067 122.820 0.076 0.000 2.386 536 A HA 0.066 4.387 4.320 0.002 0.000 0.248 536 A C 0.314 177.933 177.584 0.059 0.000 1.082 536 A CA -0.245 51.834 52.037 0.071 0.000 0.789 536 A CB 0.338 19.374 19.000 0.061 0.000 1.025 536 A HN -0.054 nan 8.150 nan 0.000 0.490 537 D N 1.068 121.500 120.400 0.053 0.000 2.443 537 D HA 0.227 4.868 4.640 0.002 0.000 0.239 537 D C 0.755 177.069 176.300 0.023 0.000 1.136 537 D CA 1.031 55.053 54.000 0.037 0.000 0.879 537 D CB 0.757 41.575 40.800 0.031 0.000 1.195 537 D HN 0.689 nan 8.370 nan 0.000 0.443 538 T N -0.729 113.836 114.554 0.018 0.000 2.899 538 T HA 0.145 4.495 4.350 0.002 0.000 0.284 538 T C 1.474 176.171 174.700 -0.005 0.000 1.004 538 T CA -0.870 61.240 62.100 0.016 0.000 1.043 538 T CB 1.258 70.141 68.868 0.024 0.000 1.013 538 T HN 0.217 nan 8.240 nan 0.000 0.518 539 I N 0.735 121.307 120.570 0.004 0.000 2.315 539 I HA -0.135 4.036 4.170 0.002 0.000 0.251 539 I C 2.404 178.505 176.117 -0.026 0.000 1.125 539 I CA 1.693 62.991 61.300 -0.003 0.000 1.392 539 I CB -0.645 37.380 38.000 0.041 0.000 1.065 539 I HN 0.993 nan 8.210 nan 0.000 0.424 540 E N 0.042 120.240 120.200 -0.003 0.000 2.077 540 E HA -0.321 4.030 4.350 0.002 0.000 0.193 540 E C 2.406 178.992 176.600 -0.023 0.000 0.989 540 E CA 1.244 57.643 56.400 -0.002 0.000 0.800 540 E CB -0.190 29.518 29.700 0.014 0.000 0.746 540 E HN 0.413 nan 8.360 nan 0.000 0.452 541 R N 0.094 120.580 120.500 -0.024 0.000 2.080 541 R HA -0.142 4.199 4.340 0.002 0.000 0.236 541 R C 2.237 178.494 176.300 -0.072 0.000 1.137 541 R CA 1.797 57.881 56.100 -0.028 0.000 0.943 541 R CB -0.660 29.634 30.300 -0.011 0.000 0.846 541 R HN 0.119 nan 8.270 nan 0.000 0.431 542 V N 1.025 120.861 119.914 -0.130 0.000 2.287 542 V HA -0.281 3.840 4.120 0.002 0.000 0.248 542 V C 2.117 178.000 176.094 -0.350 0.000 1.053 542 V CA 2.358 64.505 62.300 -0.254 0.000 1.027 542 V CB -0.599 31.032 31.823 -0.320 0.000 0.646 542 V HN 0.449 nan 8.190 nan 0.000 0.447 543 E N 0.300 120.295 120.200 -0.343 0.000 2.049 543 E HA -0.243 4.108 4.350 0.002 0.000 0.198 543 E C 2.180 178.779 176.600 -0.001 0.000 1.007 543 E CA 1.638 57.910 56.400 -0.214 0.000 0.809 543 E CB -0.256 29.421 29.700 -0.039 0.000 0.749 543 E HN 0.580 nan 8.360 nan 0.000 0.450 544 N N 0.552 119.250 118.700 -0.004 0.000 2.120 544 N HA -0.129 4.612 4.740 0.002 0.000 0.188 544 N C 1.940 177.463 175.510 0.022 0.000 1.024 544 N CA 0.885 53.951 53.050 0.028 0.000 0.852 544 N CB -0.254 38.242 38.487 0.015 0.000 1.003 544 N HN 0.154 nan 8.380 nan 0.000 0.424 545 L N -0.404 120.818 121.223 -0.002 0.000 2.093 545 L HA -0.172 4.169 4.340 0.002 0.000 0.208 545 L C 2.311 179.181 176.870 -0.000 0.000 1.085 545 L CA 0.984 55.827 54.840 0.006 0.000 0.755 545 L CB -0.510 41.562 42.059 0.022 0.000 0.904 545 L HN 0.151 nan 8.230 nan 0.000 0.435 546 Y N 1.215 121.451 120.300 -0.107 0.000 2.114 546 Y HA -0.276 4.275 4.550 0.002 0.000 0.284 546 Y C 2.595 178.496 175.900 0.001 0.000 1.143 546 Y CA 1.642 59.715 58.100 -0.047 0.000 1.135 546 Y CB -0.111 38.349 38.460 -0.001 0.000 0.980 546 Y HN -0.060 nan 8.280 nan 0.000 0.499 547 K N -0.249 120.231 120.400 0.134 0.000 2.211 547 K HA -0.194 4.127 4.320 0.002 0.000 0.204 547 K C 1.815 178.390 176.600 -0.042 0.000 1.047 547 K CA 1.468 57.823 56.287 0.114 0.000 0.935 547 K CB -0.349 32.261 32.500 0.183 0.000 0.728 547 K HN 0.331 nan 8.250 nan 0.000 0.452 548 L N 1.101 122.259 121.223 -0.109 0.000 2.492 548 L HA -0.061 4.280 4.340 0.002 0.000 0.223 548 L C 1.748 178.472 176.870 -0.244 0.000 1.132 548 L CA 1.063 55.832 54.840 -0.118 0.000 0.850 548 L CB 0.037 42.056 42.059 -0.066 0.000 0.966 548 L HN 0.089 nan 8.230 nan 0.000 0.454 549 Q N -1.101 118.393 119.800 -0.509 0.000 2.297 549 Q HA 0.002 4.343 4.340 0.002 0.000 0.204 549 Q C -0.288 175.207 176.000 -0.841 0.000 0.962 549 Q CA 0.838 56.177 55.803 -0.774 0.000 0.879 549 Q CB 0.110 28.141 28.738 -1.179 0.000 0.947 549 Q HN 0.377 nan 8.270 nan 0.000 0.462 550 F N 0.000 119.872 119.950 -0.131 0.000 2.286 550 F HA 0.000 4.528 4.527 0.002 0.000 0.279 550 F CA 0.000 57.947 58.000 -0.089 0.000 1.383 550 F CB 0.000 38.935 39.000 -0.108 0.000 1.145 550 F HN 0.000 nan 8.300 nan 0.000 0.574