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 2v0n_1_A DATA FIRST_RESID 2 DATA SEQUENCE SARILVVDDI EANVRLLEAK LTAEYYEVST AMDGPTALAM AARDLPDIIL DATA SEQUENCE LDVMMPGMDG FTVCRKLKDD PTTRHIPVVL ITALDGRGDR IQGLESGASD DATA SEQUENCE FLTKPIDDVM LFARVRSLTR FKLVIDELRQ REASGRRMGV IAGAAARLDG DATA SEQUENCE LGGRVLIVDD NERQAQRVAA ELGVEHRPVI ESDPEKAKIS AGGPVDLVIV DATA SEQUENCE NAAAKNFDGL RFTAALRSEE RTRQLPVLAM VDPDDRGRMV KALEIGVNDI DATA SEQUENCE LSRPIDPQEL SARVKTQIQR KRYTDYLRNN LDHSLELAVT DQLTGLHNRR DATA SEQUENCE YMTGQLDSLV KRATLGGDPV SALLIDIDFF KKINDTFGHD IGDEVLREFA DATA SEQUENCE LRLASNVRAI DLPCRYGGEE FVVIMPDTAL ADALRIAERI RMHVSGSPFT DATA SEQUENCE VAHGREMLNV TISIGVSATA GEGDTPEALL KRADEGVYQA KASGRNAVVG DATA SEQUENCE KAAHHHHHH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.660 174.600 0.101 0.000 1.055 2 S CA 0.000 58.176 58.200 -0.041 0.000 1.107 2 S CB 0.000 63.116 63.200 -0.141 0.000 0.593 3 A N 1.316 124.268 122.820 0.220 0.000 2.589 3 A HA 0.776 5.096 4.320 0.000 0.000 0.296 3 A C -1.327 176.402 177.584 0.241 0.000 1.062 3 A CA -0.687 51.508 52.037 0.263 0.000 0.686 3 A CB 1.160 20.372 19.000 0.353 0.000 1.282 3 A HN 0.190 nan 8.150 nan 0.000 0.404 4 R N 0.968 121.556 120.500 0.146 0.000 2.221 4 R HA 0.603 4.943 4.340 0.000 0.000 0.327 4 R C -0.957 175.389 176.300 0.075 0.000 1.033 4 R CA 0.007 56.172 56.100 0.107 0.000 0.887 4 R CB 0.829 31.175 30.300 0.076 0.000 1.057 4 R HN 0.618 nan 8.270 nan 0.000 0.455 5 I N 4.543 125.147 120.570 0.056 0.000 2.418 5 I HA 0.207 4.377 4.170 0.000 0.000 0.287 5 I C -0.813 175.304 176.117 0.001 0.000 1.008 5 I CA -1.150 60.153 61.300 0.004 0.000 1.104 5 I CB 1.773 39.742 38.000 -0.051 0.000 1.264 5 I HN 0.299 nan 8.210 nan 0.000 0.438 6 L N 8.396 129.613 121.223 -0.010 0.000 2.276 6 L HA 0.489 4.829 4.340 0.000 0.000 0.286 6 L C -0.625 176.227 176.870 -0.029 0.000 1.061 6 L CA -0.077 54.754 54.840 -0.015 0.000 0.807 6 L CB 1.362 43.411 42.059 -0.016 0.000 1.177 6 L HN 0.317 nan 8.230 nan 0.000 0.429 7 V N 6.050 125.947 119.914 -0.028 0.000 2.417 7 V HA 0.585 4.705 4.120 0.000 0.000 0.291 7 V C -0.537 175.533 176.094 -0.040 0.000 1.024 7 V CA -0.578 61.698 62.300 -0.039 0.000 0.861 7 V CB 1.892 33.694 31.823 -0.036 0.000 0.985 7 V HN 0.548 nan 8.190 nan 0.000 0.436 8 V N 4.142 124.026 119.914 -0.050 0.000 2.531 8 V HA 0.712 4.832 4.120 0.000 0.000 0.301 8 V C -0.767 175.290 176.094 -0.061 0.000 1.034 8 V CA -0.441 61.828 62.300 -0.051 0.000 0.865 8 V CB 1.858 33.650 31.823 -0.051 0.000 0.995 8 V HN 0.961 nan 8.190 nan 0.000 0.424 9 D N 2.376 122.743 120.400 -0.055 0.000 2.734 9 D HA 0.099 4.739 4.640 0.000 0.000 0.224 9 D C -0.299 175.972 176.300 -0.048 0.000 1.222 9 D CA -0.244 53.720 54.000 -0.060 0.000 0.761 9 D CB 2.592 43.355 40.800 -0.062 0.000 1.569 9 D HN 0.623 nan 8.370 nan 0.000 0.477 10 D N 1.755 122.126 120.400 -0.049 0.000 2.317 10 D HA 0.004 4.644 4.640 0.000 0.000 0.211 10 D C 1.042 177.322 176.300 -0.033 0.000 0.966 10 D CA 0.483 54.460 54.000 -0.039 0.000 0.876 10 D CB 0.552 41.329 40.800 -0.039 0.000 0.927 10 D HN 0.372 nan 8.370 nan 0.000 0.519 11 I N 1.440 121.989 120.570 -0.035 0.000 2.312 11 I HA 0.063 4.233 4.170 0.000 0.000 0.290 11 I C 1.608 177.708 176.117 -0.028 0.000 1.008 11 I CA -0.539 60.743 61.300 -0.030 0.000 1.226 11 I CB 1.990 39.971 38.000 -0.031 0.000 1.371 11 I HN -0.161 nan 8.210 nan 0.000 0.468 12 E N 5.249 125.435 120.200 -0.023 0.000 2.097 12 E HA -0.293 4.057 4.350 0.000 0.000 0.196 12 E C 2.051 178.639 176.600 -0.020 0.000 1.000 12 E CA 1.910 58.298 56.400 -0.020 0.000 0.804 12 E CB 0.238 29.928 29.700 -0.016 0.000 0.740 12 E HN 0.871 nan 8.360 nan 0.000 0.454 13 A N 1.371 124.179 122.820 -0.020 0.000 1.892 13 A HA -0.262 4.058 4.320 0.000 0.000 0.218 13 A C 1.906 179.477 177.584 -0.023 0.000 1.188 13 A CA 1.928 53.954 52.037 -0.019 0.000 0.631 13 A CB -0.701 18.288 19.000 -0.018 0.000 0.822 13 A HN 0.288 nan 8.150 nan 0.000 0.447 14 N N 0.056 118.739 118.700 -0.029 0.000 2.084 14 N HA -0.118 4.622 4.740 0.000 0.000 0.190 14 N C 1.668 177.157 175.510 -0.034 0.000 1.030 14 N CA 1.624 54.652 53.050 -0.036 0.000 0.849 14 N CB -0.777 37.682 38.487 -0.046 0.000 1.012 14 N HN 0.252 nan 8.380 nan 0.000 0.423 15 V N 1.354 121.249 119.914 -0.032 0.000 2.343 15 V HA -0.196 3.924 4.120 0.000 0.000 0.247 15 V C 2.520 178.602 176.094 -0.020 0.000 1.051 15 V CA 1.643 63.926 62.300 -0.028 0.000 1.036 15 V CB -0.453 31.355 31.823 -0.026 0.000 0.654 15 V HN 0.325 nan 8.190 nan 0.000 0.451 16 R N -0.220 120.270 120.500 -0.017 0.000 2.075 16 R HA -0.148 4.192 4.340 0.000 0.000 0.232 16 R C 2.268 178.564 176.300 -0.007 0.000 1.126 16 R CA 1.666 57.759 56.100 -0.011 0.000 0.963 16 R CB -0.353 29.940 30.300 -0.011 0.000 0.858 16 R HN 0.421 nan 8.270 nan 0.000 0.435 17 L N 1.058 122.275 121.223 -0.011 0.000 2.027 17 L HA -0.087 4.253 4.340 0.000 0.000 0.206 17 L C 2.064 178.933 176.870 -0.001 0.000 1.074 17 L CA 1.587 56.423 54.840 -0.006 0.000 0.745 17 L CB -0.621 41.430 42.059 -0.013 0.000 0.898 17 L HN 0.302 nan 8.230 nan 0.000 0.433 18 L N -0.532 120.683 121.223 -0.014 0.000 2.012 18 L HA -0.266 4.074 4.340 0.000 0.000 0.210 18 L C 2.620 179.498 176.870 0.014 0.000 1.073 18 L CA 1.911 56.743 54.840 -0.014 0.000 0.748 18 L CB -0.352 41.684 42.059 -0.039 0.000 0.891 18 L HN 0.485 nan 8.230 nan 0.000 0.431 19 E N -0.313 119.892 120.200 0.008 0.000 2.097 19 E HA -0.299 4.051 4.350 0.000 0.000 0.196 19 E C 2.046 178.665 176.600 0.033 0.000 1.000 19 E CA 1.426 57.837 56.400 0.019 0.000 0.804 19 E CB -0.027 29.676 29.700 0.006 0.000 0.740 19 E HN 0.568 nan 8.360 nan 0.000 0.454 20 A N 1.154 123.990 122.820 0.026 0.000 1.877 20 A HA -0.219 4.101 4.320 0.000 0.000 0.216 20 A C 2.042 179.660 177.584 0.057 0.000 1.186 20 A CA 1.787 53.839 52.037 0.025 0.000 0.620 20 A CB -0.405 18.605 19.000 0.017 0.000 0.822 20 A HN 0.158 nan 8.150 nan 0.000 0.443 21 K N -0.499 119.958 120.400 0.094 0.000 2.063 21 K HA -0.105 4.215 4.320 0.000 0.000 0.208 21 K C 1.874 178.637 176.600 0.272 0.000 1.048 21 K CA 1.608 58.011 56.287 0.194 0.000 0.928 21 K CB -0.400 32.226 32.500 0.211 0.000 0.713 21 K HN 0.484 nan 8.250 nan 0.000 0.442 22 L N 0.467 121.828 121.223 0.231 0.000 2.072 22 L HA -0.128 4.212 4.340 0.000 0.000 0.205 22 L C 2.607 179.624 176.870 0.246 0.000 1.079 22 L CA 1.415 56.426 54.840 0.285 0.000 0.752 22 L CB -0.820 41.333 42.059 0.157 0.000 0.906 22 L HN 0.346 nan 8.230 nan 0.000 0.436 23 T N -2.539 112.081 114.554 0.110 0.000 2.951 23 T HA -0.036 4.314 4.350 0.000 0.000 0.268 23 T C 1.909 176.533 174.700 -0.126 0.000 1.073 23 T CA 0.766 62.869 62.100 0.006 0.000 1.134 23 T CB -0.279 68.571 68.868 -0.031 0.000 0.884 23 T HN 0.287 nan 8.240 nan 0.000 0.479 24 A N 1.784 124.565 122.820 -0.067 0.000 2.019 24 A HA -0.028 4.292 4.320 0.000 0.000 0.219 24 A C 2.106 179.641 177.584 -0.082 0.000 1.164 24 A CA 0.913 52.882 52.037 -0.115 0.000 0.644 24 A CB -0.275 18.710 19.000 -0.024 0.000 0.805 24 A HN 0.420 nan 8.150 nan 0.000 0.449 25 E N -1.329 118.866 120.200 -0.009 0.000 2.419 25 E HA 0.161 4.511 4.350 0.000 0.000 0.190 25 E C -0.912 175.731 176.600 0.071 0.000 1.040 25 E CA -0.406 56.011 56.400 0.028 0.000 0.900 25 E CB -0.430 29.192 29.700 -0.130 0.000 1.054 25 E HN 0.627 nan 8.360 nan 0.000 0.462 26 Y N -1.478 118.738 120.300 -0.140 0.000 3.790 26 Y HA -0.308 4.242 4.550 0.000 0.000 0.226 26 Y C -0.336 175.389 175.900 -0.291 0.000 1.257 26 Y CA 0.152 58.137 58.100 -0.192 0.000 1.765 26 Y CB -2.767 35.561 38.460 -0.220 0.000 1.552 26 Y HN 0.155 nan 8.280 nan 0.000 0.650 27 Y N -0.158 120.180 120.300 0.063 0.000 2.376 27 Y HA 0.489 5.039 4.550 -0.000 0.000 0.325 27 Y C 0.701 176.619 175.900 0.030 0.000 1.199 27 Y CA -1.372 56.762 58.100 0.057 0.000 1.206 27 Y CB 0.948 39.447 38.460 0.065 0.000 1.229 27 Y HN 0.023 nan 8.280 nan 0.000 0.480 28 E N 1.536 121.857 120.200 0.201 0.000 2.044 28 E HA 0.386 4.736 4.350 0.000 0.000 0.282 28 E C -1.594 175.068 176.600 0.103 0.000 1.031 28 E CA -0.241 56.227 56.400 0.113 0.000 0.824 28 E CB 0.253 30.004 29.700 0.085 0.000 1.076 28 E HN 0.394 nan 8.360 nan 0.000 0.395 29 V N 4.199 124.159 119.914 0.076 0.000 2.472 29 V HA 0.545 4.665 4.120 0.000 0.000 0.290 29 V C 0.151 176.263 176.094 0.029 0.000 1.037 29 V CA -0.478 61.852 62.300 0.050 0.000 0.908 29 V CB 1.453 33.301 31.823 0.042 0.000 0.985 29 V HN 0.796 nan 8.190 nan 0.000 0.454 30 S N 2.444 118.156 115.700 0.019 0.000 2.677 30 S HA 0.934 5.404 4.470 0.000 0.000 0.304 30 S C -0.386 174.214 174.600 -0.000 0.000 1.108 30 S CA -0.467 57.739 58.200 0.010 0.000 0.944 30 S CB 2.285 65.492 63.200 0.011 0.000 1.127 30 S HN 0.981 nan 8.310 nan 0.000 0.511 31 T N -2.315 112.236 114.554 -0.004 0.000 2.903 31 T HA 0.869 5.219 4.350 0.000 0.000 0.299 31 T C -0.618 174.075 174.700 -0.012 0.000 1.093 31 T CA -0.668 61.425 62.100 -0.011 0.000 1.002 31 T CB 1.297 70.158 68.868 -0.011 0.000 1.127 31 T HN 1.531 nan 8.240 nan 0.000 0.488 32 A N 1.850 124.659 122.820 -0.018 0.000 2.527 32 A HA 0.821 5.141 4.320 0.000 0.000 0.293 32 A C -0.000 177.569 177.584 -0.024 0.000 1.117 32 A CA -1.068 50.958 52.037 -0.019 0.000 0.723 32 A CB 1.645 20.634 19.000 -0.020 0.000 1.313 32 A HN 0.916 nan 8.150 nan 0.000 0.411 33 M N 0.545 120.132 119.600 -0.023 0.000 2.414 33 M HA 0.236 4.716 4.480 0.000 0.000 0.357 33 M C -0.882 175.401 176.300 -0.028 0.000 1.059 33 M CA 0.123 55.407 55.300 -0.026 0.000 0.959 33 M CB 0.159 32.746 32.600 -0.022 0.000 1.522 33 M HN 0.890 nan 8.290 nan 0.000 0.551 34 D N -2.397 117.986 120.400 -0.027 0.000 2.692 34 D HA 0.377 5.017 4.640 0.000 0.000 0.290 34 D C 0.684 176.968 176.300 -0.027 0.000 1.281 34 D CA -0.464 53.519 54.000 -0.028 0.000 0.804 34 D CB 0.180 40.966 40.800 -0.022 0.000 1.331 34 D HN -0.092 nan 8.370 nan 0.000 0.432 35 G N -0.458 108.326 108.800 -0.027 0.000 2.480 35 G HA2 -0.085 3.875 3.960 0.000 0.000 0.216 35 G HA3 -0.085 3.875 3.960 0.000 0.000 0.216 35 G C -0.926 173.964 174.900 -0.016 0.000 1.200 35 G CA 1.203 46.290 45.100 -0.023 0.000 0.782 35 G HN 0.499 nan 8.290 nan 0.000 0.554 36 P HA -0.130 nan 4.420 nan 0.000 0.215 36 P C 2.146 179.440 177.300 -0.009 0.000 1.163 36 P CA 2.316 65.410 63.100 -0.009 0.000 0.894 36 P CB -0.423 31.272 31.700 -0.007 0.000 0.791 37 T N -0.367 114.180 114.554 -0.011 0.000 2.635 37 T HA -0.224 4.126 4.350 0.000 0.000 0.267 37 T C 1.895 176.588 174.700 -0.011 0.000 1.040 37 T CA 1.948 64.042 62.100 -0.010 0.000 1.156 37 T CB -1.206 67.655 68.868 -0.012 0.000 0.863 37 T HN 0.085 nan 8.240 nan 0.000 0.430 38 A N 1.360 124.170 122.820 -0.016 0.000 1.903 38 A HA -0.123 4.197 4.320 0.000 0.000 0.219 38 A C 2.349 179.924 177.584 -0.015 0.000 1.191 38 A CA 1.689 53.715 52.037 -0.018 0.000 0.638 38 A CB -1.031 17.954 19.000 -0.025 0.000 0.823 38 A HN 0.515 nan 8.150 nan 0.000 0.451 39 L N -1.169 120.046 121.223 -0.013 0.000 2.093 39 L HA -0.141 4.199 4.340 0.000 0.000 0.208 39 L C 3.094 179.960 176.870 -0.006 0.000 1.085 39 L CA 0.883 55.716 54.840 -0.011 0.000 0.755 39 L CB -0.616 41.438 42.059 -0.008 0.000 0.904 39 L HN 0.452 nan 8.230 nan 0.000 0.435 40 A N 0.180 122.997 122.820 -0.005 0.000 1.877 40 A HA -0.232 4.088 4.320 0.000 0.000 0.216 40 A C 2.342 179.927 177.584 0.000 0.000 1.186 40 A CA 1.782 53.819 52.037 -0.001 0.000 0.620 40 A CB -0.493 18.507 19.000 -0.001 0.000 0.822 40 A HN 0.311 nan 8.150 nan 0.000 0.443 41 M N -0.565 119.034 119.600 -0.002 0.000 2.108 41 M HA -0.181 4.299 4.480 0.000 0.000 0.261 41 M C 2.547 178.848 176.300 0.001 0.000 1.066 41 M CA 1.536 56.836 55.300 0.000 0.000 1.107 41 M CB -0.542 32.056 32.600 -0.003 0.000 1.356 41 M HN 0.499 nan 8.290 nan 0.000 0.406 42 A N 0.315 123.132 122.820 -0.006 0.000 1.933 42 A HA -0.035 4.285 4.320 0.000 0.000 0.218 42 A C 2.347 179.931 177.584 0.001 0.000 1.175 42 A CA 1.947 53.978 52.037 -0.010 0.000 0.628 42 A CB -0.769 18.217 19.000 -0.024 0.000 0.814 42 A HN 0.515 nan 8.150 nan 0.000 0.444 43 A N -0.674 122.149 122.820 0.005 0.000 1.930 43 A HA -0.035 4.285 4.320 0.000 0.000 0.215 43 A C 2.245 179.842 177.584 0.021 0.000 1.176 43 A CA 1.367 53.412 52.037 0.014 0.000 0.632 43 A CB -0.404 18.603 19.000 0.011 0.000 0.819 43 A HN 0.514 nan 8.150 nan 0.000 0.445 44 R N -0.585 119.925 120.500 0.017 0.000 2.090 44 R HA -0.107 4.233 4.340 0.000 0.000 0.228 44 R C 0.444 176.759 176.300 0.024 0.000 1.110 44 R CA 1.750 57.861 56.100 0.019 0.000 0.973 44 R CB -0.038 30.270 30.300 0.014 0.000 0.869 44 R HN 0.397 nan 8.270 nan 0.000 0.440 45 D N -0.069 120.345 120.400 0.024 0.000 2.423 45 D HA 0.115 4.755 4.640 0.000 0.000 0.208 45 D C 0.262 176.586 176.300 0.039 0.000 1.068 45 D CA 0.042 54.059 54.000 0.029 0.000 0.860 45 D CB 0.370 41.183 40.800 0.023 0.000 0.992 45 D HN 0.139 nan 8.370 nan 0.000 0.504 46 L N 1.575 122.823 121.223 0.041 0.000 3.895 46 L HA -0.157 4.183 4.340 0.000 0.000 0.511 46 L C -2.095 174.809 176.870 0.057 0.000 1.222 46 L CA -0.403 54.472 54.840 0.059 0.000 0.739 46 L CB -1.585 40.536 42.059 0.104 0.000 1.425 46 L HN 0.051 nan 8.230 nan 0.000 0.817 47 P HA 0.039 nan 4.420 nan 0.000 0.272 47 P C 0.443 177.764 177.300 0.035 0.000 1.230 47 P CA -0.180 62.940 63.100 0.033 0.000 0.788 47 P CB 0.881 32.588 31.700 0.013 0.000 0.949 48 D N 0.147 120.580 120.400 0.055 0.000 2.149 48 D HA 0.053 4.693 4.640 0.000 0.000 0.201 48 D C 0.802 177.124 176.300 0.036 0.000 0.972 48 D CA 1.430 55.471 54.000 0.069 0.000 0.835 48 D CB 0.343 41.200 40.800 0.096 0.000 0.966 48 D HN 0.356 nan 8.370 nan 0.000 0.476 49 I N 0.467 121.043 120.570 0.011 0.000 2.827 49 I HA 0.300 4.470 4.170 0.000 0.000 0.298 49 I C -0.918 175.181 176.117 -0.030 0.000 1.235 49 I CA -0.701 60.591 61.300 -0.013 0.000 1.021 49 I CB 3.149 41.137 38.000 -0.020 0.000 1.259 49 I HN -0.312 nan 8.210 nan 0.000 0.427 50 I N 5.452 125.998 120.570 -0.039 0.000 2.406 50 I HA 0.350 4.520 4.170 0.000 0.000 0.290 50 I C -1.159 174.927 176.117 -0.051 0.000 0.999 50 I CA -0.804 60.470 61.300 -0.044 0.000 1.124 50 I CB 1.869 39.842 38.000 -0.045 0.000 1.289 50 I HN 0.177 nan 8.210 nan 0.000 0.441 51 L N 7.281 128.468 121.223 -0.060 0.000 2.282 51 L HA 0.517 4.857 4.340 0.000 0.000 0.288 51 L C -0.495 176.329 176.870 -0.078 0.000 1.033 51 L CA -0.111 54.684 54.840 -0.075 0.000 0.807 51 L CB 1.254 43.261 42.059 -0.085 0.000 1.209 51 L HN 0.445 nan 8.230 nan 0.000 0.423 52 L N 2.712 123.880 121.223 -0.091 0.000 2.409 52 L HA 0.416 4.756 4.340 0.000 0.000 0.272 52 L C -0.744 176.046 176.870 -0.134 0.000 0.980 52 L CA -0.711 54.071 54.840 -0.097 0.000 0.826 52 L CB 2.118 44.129 42.059 -0.080 0.000 1.268 52 L HN 0.534 nan 8.230 nan 0.000 0.407 53 D N 1.951 122.272 120.400 -0.130 0.000 2.368 53 D HA 0.126 4.766 4.640 0.000 0.000 0.240 53 D C 0.599 176.781 176.300 -0.197 0.000 1.169 53 D CA -0.109 53.797 54.000 -0.156 0.000 0.906 53 D CB 1.800 42.527 40.800 -0.122 0.000 1.187 53 D HN 0.229 nan 8.370 nan 0.000 0.435 54 V N 1.682 121.448 119.914 -0.246 0.000 2.490 54 V HA 0.050 4.170 4.120 0.000 0.000 0.238 54 V C 1.057 176.990 176.094 -0.268 0.000 1.056 54 V CA 0.772 62.853 62.300 -0.364 0.000 1.075 54 V CB -0.266 31.257 31.823 -0.501 0.000 0.746 54 V HN 0.568 nan 8.190 nan 0.000 0.479 55 M N 1.580 121.070 119.600 -0.183 0.000 2.156 55 M HA 0.447 4.927 4.480 0.000 0.000 0.345 55 M C -0.808 175.438 176.300 -0.089 0.000 1.398 55 M CA 1.094 56.324 55.300 -0.116 0.000 1.148 55 M CB 0.329 32.882 32.600 -0.078 0.000 1.663 55 M HN 0.259 nan 8.290 nan 0.000 0.464 56 M N 4.643 124.198 119.600 -0.075 0.000 2.421 56 M HA 0.490 4.970 4.480 0.000 0.000 0.287 56 M C -2.443 173.834 176.300 -0.038 0.000 1.183 56 M CA -1.839 53.427 55.300 -0.056 0.000 0.916 56 M CB 2.569 35.132 32.600 -0.062 0.000 1.701 56 M HN 0.307 nan 8.290 nan 0.000 0.470 57 P HA 0.256 nan 4.420 nan 0.000 0.268 57 P C 0.433 177.723 177.300 -0.018 0.000 1.205 57 P CA 0.724 63.812 63.100 -0.020 0.000 0.771 57 P CB 0.456 32.146 31.700 -0.017 0.000 0.858 58 G N 2.521 111.314 108.800 -0.012 0.000 2.562 58 G HA2 -0.294 3.666 3.960 0.000 0.000 0.250 58 G HA3 -0.294 3.666 3.960 0.000 0.000 0.250 58 G C -0.042 174.853 174.900 -0.009 0.000 1.269 58 G CA -0.063 45.032 45.100 -0.008 0.000 0.919 58 G HN 0.753 nan 8.290 nan 0.000 0.574 59 M N 1.967 121.563 119.600 -0.007 0.000 2.274 59 M HA 0.255 4.735 4.480 0.000 0.000 0.377 59 M C 0.737 177.025 176.300 -0.021 0.000 1.428 59 M CA 1.039 56.335 55.300 -0.006 0.000 0.907 59 M CB -0.181 32.416 32.600 -0.005 0.000 1.974 59 M HN 0.878 nan 8.290 nan 0.000 0.479 60 D N 3.557 123.945 120.400 -0.020 0.000 2.487 60 D HA 0.414 5.054 4.640 0.000 0.000 0.262 60 D C 0.984 177.231 176.300 -0.089 0.000 1.130 60 D CA -0.195 53.766 54.000 -0.065 0.000 1.038 60 D CB 0.504 41.263 40.800 -0.067 0.000 1.142 60 D HN 0.592 nan 8.370 nan 0.000 0.575 61 G N -0.887 107.789 108.800 -0.207 0.000 2.422 61 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 61 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 61 G C 1.072 175.902 174.900 -0.117 0.000 1.140 61 G CA 0.315 45.289 45.100 -0.210 0.000 0.775 61 G HN 0.378 nan 8.290 nan 0.000 0.545 62 F N 1.694 121.657 119.950 0.022 0.000 2.146 62 F HA -0.001 4.526 4.527 0.000 0.000 0.298 62 F C 2.998 178.803 175.800 0.009 0.000 1.096 62 F CA 1.374 59.389 58.000 0.024 0.000 1.275 62 F CB -1.158 37.859 39.000 0.028 0.000 1.008 62 F HN 0.022 nan 8.300 nan 0.000 0.480 63 T N 0.010 114.671 114.554 0.178 0.000 2.674 63 T HA -0.147 4.203 4.350 0.000 0.000 0.265 63 T C 2.336 177.070 174.700 0.056 0.000 1.039 63 T CA 1.604 63.761 62.100 0.095 0.000 1.150 63 T CB -0.810 68.094 68.868 0.061 0.000 0.864 63 T HN 0.033 nan 8.240 nan 0.000 0.427 64 V N 0.850 120.782 119.914 0.030 0.000 2.324 64 V HA -0.257 3.863 4.120 0.000 0.000 0.250 64 V C 2.832 178.934 176.094 0.015 0.000 1.060 64 V CA 1.677 63.982 62.300 0.008 0.000 1.042 64 V CB -0.828 30.986 31.823 -0.016 0.000 0.650 64 V HN 0.689 nan 8.190 nan 0.000 0.450 65 C N -0.208 119.114 119.300 0.037 0.000 2.453 65 C HA -0.130 4.330 4.460 0.000 0.000 0.277 65 C C 2.999 178.011 174.990 0.038 0.000 1.262 65 C CA 1.219 60.264 59.018 0.045 0.000 1.718 65 C CB -1.037 26.761 27.740 0.096 0.000 2.031 65 C HN 0.518 nan 8.230 nan 0.000 0.480 66 R N 0.313 120.845 120.500 0.053 0.000 2.081 66 R HA -0.120 4.220 4.340 0.000 0.000 0.235 66 R C 2.334 178.641 176.300 0.012 0.000 1.131 66 R CA 1.663 57.781 56.100 0.031 0.000 0.960 66 R CB -0.177 30.145 30.300 0.037 0.000 0.856 66 R HN 0.577 nan 8.270 nan 0.000 0.436 67 K N 0.357 120.764 120.400 0.012 0.000 2.057 67 K HA -0.095 4.225 4.320 0.000 0.000 0.206 67 K C 2.067 178.662 176.600 -0.009 0.000 1.050 67 K CA 1.075 57.363 56.287 0.002 0.000 0.935 67 K CB -0.127 32.375 32.500 0.003 0.000 0.715 67 K HN 0.094 nan 8.250 nan 0.000 0.439 68 L N 1.088 122.303 121.223 -0.012 0.000 2.081 68 L HA -0.234 4.106 4.340 0.000 0.000 0.212 68 L C 2.053 178.900 176.870 -0.039 0.000 1.080 68 L CA 1.195 56.018 54.840 -0.028 0.000 0.754 68 L CB -0.244 41.794 42.059 -0.035 0.000 0.893 68 L HN 0.075 nan 8.230 nan 0.000 0.433 69 K N -0.911 119.470 120.400 -0.032 0.000 2.418 69 K HA -0.069 4.251 4.320 0.000 0.000 0.195 69 K C 1.179 177.755 176.600 -0.041 0.000 1.035 69 K CA 0.695 56.956 56.287 -0.043 0.000 1.003 69 K CB -0.135 32.344 32.500 -0.035 0.000 0.793 69 K HN 0.175 nan 8.250 nan 0.000 0.494 70 D N 0.993 121.376 120.400 -0.027 0.000 2.350 70 D HA -0.064 4.576 4.640 0.000 0.000 0.213 70 D C -0.557 175.731 176.300 -0.021 0.000 1.031 70 D CA 0.223 54.209 54.000 -0.024 0.000 0.861 70 D CB 0.237 41.029 40.800 -0.014 0.000 0.926 70 D HN 0.049 nan 8.370 nan 0.000 0.520 71 D N -0.402 119.986 120.400 -0.020 0.000 2.349 71 D HA 0.165 4.805 4.640 0.000 0.000 0.232 71 D C -1.666 174.630 176.300 -0.007 0.000 1.071 71 D CA -2.131 51.863 54.000 -0.010 0.000 0.832 71 D CB 1.975 42.773 40.800 -0.004 0.000 1.086 71 D HN -0.143 nan 8.370 nan 0.000 0.504 72 P HA -0.155 nan 4.420 nan 0.000 0.218 72 P C 1.055 178.390 177.300 0.058 0.000 1.148 72 P CA 1.066 64.173 63.100 0.012 0.000 0.822 72 P CB 0.052 31.762 31.700 0.016 0.000 0.784 73 T N -0.551 114.038 114.554 0.059 0.000 2.778 73 T HA -0.126 4.224 4.350 0.000 0.000 0.269 73 T C 1.668 176.446 174.700 0.130 0.000 1.050 73 T CA 2.340 64.495 62.100 0.092 0.000 1.137 73 T CB -1.017 67.887 68.868 0.060 0.000 0.860 73 T HN 0.387 nan 8.240 nan 0.000 0.468 74 T N -1.375 113.206 114.554 0.045 0.000 3.003 74 T HA 0.287 4.637 4.350 0.000 0.000 0.261 74 T C 1.597 176.216 174.700 -0.136 0.000 1.003 74 T CA -0.355 61.706 62.100 -0.065 0.000 0.917 74 T CB 0.047 68.879 68.868 -0.060 0.000 1.084 74 T HN 0.195 nan 8.240 nan 0.000 0.522 75 R N 1.692 122.158 120.500 -0.056 0.000 2.154 75 R HA -0.216 4.124 4.340 0.000 0.000 0.248 75 R C 2.377 178.597 176.300 -0.132 0.000 1.155 75 R CA 2.121 58.163 56.100 -0.096 0.000 0.979 75 R CB -0.413 29.821 30.300 -0.109 0.000 0.869 75 R HN 0.775 nan 8.270 nan 0.000 0.452 76 H N -1.002 117.987 119.070 -0.135 0.000 2.548 76 H HA 0.114 4.670 4.556 0.000 0.000 0.265 76 H C 0.308 175.621 175.328 -0.025 0.000 0.969 76 H CA -0.091 55.888 56.048 -0.115 0.000 1.155 76 H CB -0.198 29.528 29.762 -0.059 0.000 1.394 76 H HN 0.139 nan 8.280 nan 0.000 0.570 77 I N 4.013 124.261 120.570 -0.536 0.000 2.416 77 I HA 0.145 4.315 4.170 0.000 0.000 0.288 77 I C -2.183 173.857 176.117 -0.129 0.000 1.051 77 I CA -2.056 59.042 61.300 -0.337 0.000 1.375 77 I CB 1.065 38.866 38.000 -0.331 0.000 1.407 77 I HN -0.052 nan 8.210 nan 0.000 0.516 78 P HA 0.086 nan 4.420 nan 0.000 0.267 78 P C -0.756 176.529 177.300 -0.024 0.000 1.205 78 P CA -0.048 63.044 63.100 -0.014 0.000 0.765 78 P CB 0.608 32.324 31.700 0.027 0.000 0.828 79 V N 5.075 124.979 119.914 -0.016 0.000 2.417 79 V HA 0.270 4.390 4.120 0.000 0.000 0.291 79 V C 0.156 176.251 176.094 0.001 0.000 1.024 79 V CA -0.627 61.665 62.300 -0.015 0.000 0.861 79 V CB 2.023 33.842 31.823 -0.008 0.000 0.985 79 V HN 0.215 nan 8.190 nan 0.000 0.436 80 V N 6.463 126.367 119.914 -0.017 0.000 2.370 80 V HA 0.439 4.559 4.120 0.000 0.000 0.283 80 V C -0.037 176.024 176.094 -0.054 0.000 1.023 80 V CA -0.534 61.753 62.300 -0.022 0.000 0.857 80 V CB 1.544 33.342 31.823 -0.042 0.000 0.985 80 V HN 0.632 nan 8.190 nan 0.000 0.443 81 L N 6.168 127.358 121.223 -0.054 0.000 2.326 81 L HA 0.565 4.905 4.340 0.000 0.000 0.278 81 L C -0.474 176.222 176.870 -0.291 0.000 1.092 81 L CA -0.108 54.643 54.840 -0.149 0.000 0.810 81 L CB 0.974 42.977 42.059 -0.093 0.000 1.153 81 L HN 0.495 nan 8.230 nan 0.000 0.439 82 I N 2.493 122.895 120.570 -0.281 0.000 2.468 82 I HA 0.402 4.572 4.170 0.000 0.000 0.285 82 I C -0.295 175.654 176.117 -0.281 0.000 1.039 82 I CA -0.155 60.972 61.300 -0.287 0.000 1.074 82 I CB 2.073 39.957 38.000 -0.193 0.000 1.228 82 I HN 0.520 nan 8.210 nan 0.000 0.436 83 T N 2.978 117.334 114.554 -0.330 0.000 2.894 83 T HA 0.574 4.924 4.350 0.000 0.000 0.309 83 T C 0.617 175.216 174.700 -0.168 0.000 1.208 83 T CA 0.076 62.024 62.100 -0.254 0.000 1.016 83 T CB 1.924 70.610 68.868 -0.304 0.000 1.192 83 T HN 0.595 nan 8.240 nan 0.000 0.491 84 A N 2.947 125.707 122.820 -0.100 0.000 2.119 84 A HA 0.328 4.648 4.320 0.000 0.000 0.217 84 A C 0.967 178.547 177.584 -0.008 0.000 1.153 84 A CA 0.563 52.569 52.037 -0.051 0.000 0.692 84 A CB -0.765 18.212 19.000 -0.039 0.000 0.799 84 A HN 0.724 nan 8.150 nan 0.000 0.458 85 L N 0.669 121.902 121.223 0.016 0.000 2.461 85 L HA 0.151 4.491 4.340 0.000 0.000 0.272 85 L C 0.976 177.958 176.870 0.186 0.000 1.197 85 L CA 0.190 55.096 54.840 0.109 0.000 0.836 85 L CB 0.508 42.676 42.059 0.181 0.000 1.105 85 L HN 0.552 nan 8.230 nan 0.000 0.477 86 D N 0.258 120.761 120.400 0.171 0.000 2.497 86 D HA 0.046 4.686 4.640 0.000 0.000 0.256 86 D C 0.514 176.881 176.300 0.111 0.000 1.273 86 D CA -0.141 53.962 54.000 0.171 0.000 0.812 86 D CB 0.237 41.098 40.800 0.102 0.000 1.190 86 D HN 0.524 nan 8.370 nan 0.000 0.524 87 G N 1.917 110.770 108.800 0.088 0.000 2.491 87 G HA2 0.138 4.098 3.960 0.000 0.000 0.238 87 G HA3 0.138 4.098 3.960 0.000 0.000 0.238 87 G C 1.146 176.040 174.900 -0.011 0.000 1.277 87 G CA -0.159 44.962 45.100 0.036 0.000 0.851 87 G HN 0.300 nan 8.290 nan 0.000 0.573 88 R N 0.687 121.166 120.500 -0.036 0.000 2.148 88 R HA 0.011 4.351 4.340 0.000 0.000 0.227 88 R C 2.214 178.441 176.300 -0.120 0.000 1.103 88 R CA 1.459 57.510 56.100 -0.083 0.000 0.983 88 R CB -0.438 29.826 30.300 -0.060 0.000 0.874 88 R HN 0.516 nan 8.270 nan 0.000 0.451 89 G N 1.380 110.130 108.800 -0.084 0.000 2.421 89 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 89 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 89 G C 0.757 175.576 174.900 -0.135 0.000 1.171 89 G CA 0.973 46.014 45.100 -0.097 0.000 0.775 89 G HN 0.329 nan 8.290 nan 0.000 0.543 90 D N 0.216 120.575 120.400 -0.069 0.000 2.104 90 D HA -0.104 4.536 4.640 0.000 0.000 0.194 90 D C 2.343 178.472 176.300 -0.284 0.000 0.994 90 D CA 0.803 54.818 54.000 0.025 0.000 0.830 90 D CB -0.324 40.628 40.800 0.254 0.000 0.959 90 D HN 0.304 nan 8.370 nan 0.000 0.452 91 R N 0.529 120.655 120.500 -0.624 0.000 2.080 91 R HA -0.113 4.227 4.340 0.000 0.000 0.236 91 R C 2.500 178.442 176.300 -0.596 0.000 1.137 91 R CA 1.101 56.497 56.100 -1.173 0.000 0.943 91 R CB -0.358 29.490 30.300 -0.753 0.000 0.846 91 R HN 0.159 nan 8.270 nan 0.000 0.431 92 I N 0.518 120.877 120.570 -0.351 0.000 2.286 92 I HA -0.279 3.891 4.170 0.000 0.000 0.248 92 I C 2.770 178.741 176.117 -0.242 0.000 1.115 92 I CA 1.266 62.425 61.300 -0.236 0.000 1.392 92 I CB -0.348 37.551 38.000 -0.168 0.000 1.065 92 I HN 0.403 nan 8.210 nan 0.000 0.418 93 Q N 0.990 120.593 119.800 -0.328 0.000 2.084 93 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 93 Q C 2.270 178.026 176.000 -0.406 0.000 0.978 93 Q CA 1.842 57.370 55.803 -0.457 0.000 0.844 93 Q CB -0.262 28.003 28.738 -0.788 0.000 0.898 93 Q HN 0.560 nan 8.270 nan 0.000 0.426 94 G N 1.144 109.808 108.800 -0.227 0.000 2.421 94 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 94 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 94 G C 1.359 176.328 174.900 0.115 0.000 1.171 94 G CA 0.677 45.916 45.100 0.231 0.000 0.775 94 G HN 0.266 nan 8.290 nan 0.000 0.543 95 L N 0.667 121.890 121.223 0.000 0.000 2.056 95 L HA 0.004 4.344 4.340 0.000 0.000 0.207 95 L C 2.663 179.522 176.870 -0.018 0.000 1.078 95 L CA 1.393 56.235 54.840 0.004 0.000 0.749 95 L CB -1.400 40.637 42.059 -0.036 0.000 0.901 95 L HN 0.381 nan 8.230 nan 0.000 0.433 96 E N 0.179 120.340 120.200 -0.064 0.000 2.153 96 E HA -0.158 4.192 4.350 0.000 0.000 0.194 96 E C 2.018 178.592 176.600 -0.043 0.000 0.988 96 E CA 1.433 57.796 56.400 -0.062 0.000 0.811 96 E CB 0.046 29.688 29.700 -0.096 0.000 0.746 96 E HN 0.523 nan 8.360 nan 0.000 0.466 97 S N -1.139 114.541 115.700 -0.033 0.000 2.603 97 S HA 0.158 4.628 4.470 0.000 0.000 0.220 97 S C 1.406 176.026 174.600 0.032 0.000 0.967 97 S CA 0.342 58.547 58.200 0.008 0.000 0.920 97 S CB 0.754 63.985 63.200 0.051 0.000 0.773 97 S HN 0.353 nan 8.310 nan 0.000 0.529 98 G N 0.225 109.043 108.800 0.029 0.000 2.183 98 G HA2 0.069 4.029 3.960 0.000 0.000 0.168 98 G HA3 0.069 4.029 3.960 0.000 0.000 0.168 98 G C 0.154 175.074 174.900 0.034 0.000 1.008 98 G CA -0.342 44.771 45.100 0.021 0.000 0.677 98 G HN 1.029 nan 8.290 nan 0.000 0.498 99 A N 0.554 123.415 122.820 0.068 0.000 2.445 99 A HA 0.717 5.037 4.320 0.000 0.000 0.242 99 A C 1.591 179.214 177.584 0.063 0.000 1.075 99 A CA 1.155 53.240 52.037 0.080 0.000 0.777 99 A CB 0.500 19.586 19.000 0.144 0.000 1.013 99 A HN 0.879 nan 8.150 nan 0.000 0.493 100 S N 0.348 116.078 115.700 0.050 0.000 2.387 100 S HA -0.000 4.470 4.470 0.000 0.000 0.226 100 S C 0.516 175.155 174.600 0.065 0.000 1.026 100 S CA 1.222 59.450 58.200 0.047 0.000 0.972 100 S CB -0.082 63.142 63.200 0.041 0.000 0.814 100 S HN 0.851 nan 8.310 nan 0.000 0.477 101 D N -1.562 118.887 120.400 0.081 0.000 2.599 101 D HA 0.435 5.075 4.640 0.000 0.000 0.252 101 D C -2.066 174.331 176.300 0.162 0.000 1.232 101 D CA -0.617 53.448 54.000 0.109 0.000 0.819 101 D CB 1.792 42.633 40.800 0.068 0.000 1.401 101 D HN 0.066 nan 8.370 nan 0.000 0.429 102 F N 2.599 122.557 119.950 0.015 0.000 2.577 102 F HA 0.468 4.995 4.527 0.000 0.000 0.344 102 F C -1.719 174.085 175.800 0.006 0.000 1.145 102 F CA -0.585 57.427 58.000 0.021 0.000 0.996 102 F CB 0.545 39.570 39.000 0.041 0.000 1.248 102 F HN 0.085 nan 8.300 nan 0.000 0.447 103 L N 4.232 125.297 121.223 -0.263 0.000 2.334 103 L HA 0.609 4.949 4.340 0.000 0.000 0.273 103 L C 0.084 176.787 176.870 -0.279 0.000 1.013 103 L CA -0.538 54.200 54.840 -0.171 0.000 0.816 103 L CB 2.111 44.087 42.059 -0.139 0.000 1.278 103 L HN 0.495 nan 8.230 nan 0.000 0.431 104 T N 1.730 116.209 114.554 -0.125 0.000 2.867 104 T HA 0.434 4.784 4.350 0.000 0.000 0.282 104 T C 0.039 174.684 174.700 -0.092 0.000 1.000 104 T CA -0.791 61.245 62.100 -0.106 0.000 1.042 104 T CB 1.093 69.961 68.868 -0.000 0.000 0.973 104 T HN 0.321 nan 8.240 nan 0.000 0.465 105 K N 2.728 123.071 120.400 -0.095 0.000 2.202 105 K HA 0.350 4.670 4.320 0.000 0.000 0.264 105 K C -2.283 174.289 176.600 -0.048 0.000 1.010 105 K CA -1.458 54.783 56.287 -0.077 0.000 0.940 105 K CB 0.192 32.645 32.500 -0.078 0.000 0.983 105 K HN 0.338 nan 8.250 nan 0.000 0.475 106 P HA 0.139 nan 4.420 nan 0.000 0.286 106 P C -0.125 177.141 177.300 -0.058 0.000 1.269 106 P CA -0.479 62.590 63.100 -0.050 0.000 0.787 106 P CB 0.355 32.033 31.700 -0.036 0.000 0.920 107 I N -0.961 119.562 120.570 -0.078 0.000 3.004 107 I HA 0.314 4.484 4.170 0.000 0.000 0.287 107 I C 0.038 176.102 176.117 -0.087 0.000 1.144 107 I CA -0.264 60.980 61.300 -0.093 0.000 1.353 107 I CB 0.606 38.528 38.000 -0.130 0.000 1.417 107 I HN 0.157 nan 8.210 nan 0.000 0.602 108 D N 3.286 123.634 120.400 -0.087 0.000 2.339 108 D HA 0.082 4.722 4.640 0.000 0.000 0.241 108 D C 0.321 176.538 176.300 -0.138 0.000 1.183 108 D CA -0.148 53.805 54.000 -0.078 0.000 0.859 108 D CB 1.194 41.965 40.800 -0.049 0.000 1.067 108 D HN 0.483 nan 8.370 nan 0.000 0.484 109 D N 3.014 123.326 120.400 -0.146 0.000 2.097 109 D HA -0.137 4.503 4.640 0.000 0.000 0.197 109 D C 2.171 178.326 176.300 -0.242 0.000 0.984 109 D CA 0.636 54.455 54.000 -0.302 0.000 0.826 109 D CB -0.061 40.656 40.800 -0.137 0.000 0.973 109 D HN 0.247 nan 8.370 nan 0.000 0.460 110 V N 0.903 120.823 119.914 0.008 0.000 2.317 110 V HA -0.313 3.807 4.120 0.000 0.000 0.251 110 V C 2.394 178.522 176.094 0.058 0.000 1.065 110 V CA 1.794 64.160 62.300 0.110 0.000 1.049 110 V CB -0.372 31.500 31.823 0.082 0.000 0.651 110 V HN 0.158 nan 8.190 nan 0.000 0.450 111 M N -1.063 118.523 119.600 -0.023 0.000 2.156 111 M HA -0.041 4.439 4.480 0.000 0.000 0.264 111 M C 1.811 178.074 176.300 -0.061 0.000 1.067 111 M CA 1.618 56.904 55.300 -0.022 0.000 1.131 111 M CB -0.465 32.117 32.600 -0.030 0.000 1.368 111 M HN 0.288 nan 8.290 nan 0.000 0.416 112 L N -0.290 120.821 121.223 -0.187 0.000 2.042 112 L HA -0.178 4.162 4.340 0.000 0.000 0.210 112 L C 1.786 178.550 176.870 -0.177 0.000 1.076 112 L CA 2.060 56.742 54.840 -0.263 0.000 0.749 112 L CB -0.893 40.879 42.059 -0.478 0.000 0.893 112 L HN 0.292 nan 8.230 nan 0.000 0.432 113 F N -0.196 119.756 119.950 0.005 0.000 2.163 113 F HA -0.014 4.513 4.527 -0.000 0.000 0.297 113 F C 2.556 178.378 175.800 0.036 0.000 1.094 113 F CA 0.857 58.874 58.000 0.028 0.000 1.290 113 F CB -1.634 37.403 39.000 0.062 0.000 1.017 113 F HN 0.175 nan 8.300 nan 0.000 0.483 114 A N 0.220 123.159 122.820 0.198 0.000 1.908 114 A HA -0.258 4.062 4.320 0.000 0.000 0.218 114 A C 2.286 179.927 177.584 0.094 0.000 1.181 114 A CA 2.153 54.265 52.037 0.124 0.000 0.627 114 A CB -0.721 18.331 19.000 0.087 0.000 0.818 114 A HN 0.262 nan 8.150 nan 0.000 0.445 115 R N -0.153 120.389 120.500 0.069 0.000 2.075 115 R HA -0.052 4.288 4.340 0.000 0.000 0.232 115 R C 1.817 178.158 176.300 0.068 0.000 1.126 115 R CA 2.084 58.220 56.100 0.060 0.000 0.963 115 R CB -1.177 29.140 30.300 0.028 0.000 0.858 115 R HN 0.247 nan 8.270 nan 0.000 0.435 116 V N 0.785 120.737 119.914 0.063 0.000 2.261 116 V HA -0.205 3.915 4.120 0.000 0.000 0.246 116 V C 2.437 178.594 176.094 0.105 0.000 1.047 116 V CA 2.209 64.540 62.300 0.052 0.000 1.015 116 V CB -0.571 31.246 31.823 -0.009 0.000 0.642 116 V HN 0.282 nan 8.190 nan 0.000 0.446 117 R N 0.179 120.767 120.500 0.146 0.000 2.154 117 R HA -0.189 4.151 4.340 0.000 0.000 0.248 117 R C 2.612 178.942 176.300 0.051 0.000 1.155 117 R CA 1.896 58.072 56.100 0.128 0.000 0.979 117 R CB -0.693 29.680 30.300 0.121 0.000 0.869 117 R HN 0.527 nan 8.270 nan 0.000 0.452 118 S N -0.728 114.997 115.700 0.043 0.000 2.362 118 S HA 0.008 4.478 4.470 0.000 0.000 0.221 118 S C 1.806 176.433 174.600 0.045 0.000 1.032 118 S CA 0.847 59.038 58.200 -0.015 0.000 0.973 118 S CB -0.163 63.073 63.200 0.061 0.000 0.849 118 S HN 0.329 nan 8.310 nan 0.000 0.465 119 L N 1.406 122.718 121.223 0.148 0.000 2.012 119 L HA -0.124 4.216 4.340 0.000 0.000 0.210 119 L C 2.996 179.974 176.870 0.179 0.000 1.073 119 L CA 1.872 56.840 54.840 0.214 0.000 0.748 119 L CB -1.291 40.854 42.059 0.143 0.000 0.891 119 L HN 0.540 nan 8.230 nan 0.000 0.431 120 T N -2.832 111.794 114.554 0.120 0.000 2.867 120 T HA -0.225 4.125 4.350 0.000 0.000 0.268 120 T C 2.000 176.742 174.700 0.071 0.000 1.057 120 T CA 0.895 63.063 62.100 0.113 0.000 1.136 120 T CB -0.282 68.664 68.868 0.130 0.000 0.874 120 T HN 0.229 nan 8.240 nan 0.000 0.466 121 R N -0.445 120.047 120.500 -0.013 0.000 2.073 121 R HA 0.007 4.347 4.340 0.000 0.000 0.234 121 R C 2.131 178.388 176.300 -0.072 0.000 1.134 121 R CA 1.470 57.506 56.100 -0.107 0.000 0.952 121 R CB -0.399 29.743 30.300 -0.265 0.000 0.850 121 R HN 0.398 nan 8.270 nan 0.000 0.433 122 F N 1.048 121.033 119.950 0.058 0.000 2.102 122 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 122 F C 2.305 178.146 175.800 0.068 0.000 1.105 122 F CA 1.280 59.316 58.000 0.059 0.000 1.239 122 F CB -0.488 38.549 39.000 0.062 0.000 0.991 122 F HN -0.082 nan 8.300 nan 0.000 0.474 123 K N 0.307 120.866 120.400 0.265 0.000 2.286 123 K HA -0.191 4.129 4.320 0.000 0.000 0.203 123 K C 2.066 178.753 176.600 0.146 0.000 1.045 123 K CA 0.837 57.241 56.287 0.196 0.000 0.935 123 K CB -0.459 32.144 32.500 0.173 0.000 0.737 123 K HN 0.309 nan 8.250 nan 0.000 0.460 124 L N 0.048 121.343 121.223 0.120 0.000 1.989 124 L HA -0.245 4.095 4.340 0.000 0.000 0.211 124 L C 2.289 179.204 176.870 0.075 0.000 1.071 124 L CA 1.201 56.089 54.840 0.081 0.000 0.749 124 L CB -0.534 41.556 42.059 0.053 0.000 0.890 124 L HN 0.004 nan 8.230 nan 0.000 0.431 125 V N 0.116 120.085 119.914 0.092 0.000 2.237 125 V HA -0.310 3.810 4.120 0.000 0.000 0.245 125 V C 2.303 178.435 176.094 0.064 0.000 1.046 125 V CA 2.013 64.358 62.300 0.074 0.000 1.007 125 V CB -0.412 31.467 31.823 0.093 0.000 0.638 125 V HN 0.289 nan 8.190 nan 0.000 0.445 126 I N 0.457 121.082 120.570 0.092 0.000 2.194 126 I HA -0.322 3.848 4.170 0.000 0.000 0.246 126 I C 2.076 178.227 176.117 0.056 0.000 1.093 126 I CA 2.181 63.529 61.300 0.080 0.000 1.355 126 I CB -0.443 37.645 38.000 0.147 0.000 1.046 126 I HN 0.364 nan 8.210 nan 0.000 0.413 127 D N -0.423 120.018 120.400 0.068 0.000 2.289 127 D HA -0.151 4.489 4.640 0.000 0.000 0.207 127 D C 2.013 178.326 176.300 0.021 0.000 0.966 127 D CA 0.395 54.420 54.000 0.042 0.000 0.868 127 D CB 0.077 40.917 40.800 0.066 0.000 0.943 127 D HN 0.193 nan 8.370 nan 0.000 0.514 128 E N 0.377 120.591 120.200 0.023 0.000 2.077 128 E HA -0.154 4.196 4.350 0.000 0.000 0.193 128 E C 1.690 178.286 176.600 -0.007 0.000 0.989 128 E CA 0.800 57.206 56.400 0.010 0.000 0.800 128 E CB -0.244 29.463 29.700 0.012 0.000 0.746 128 E HN 0.094 nan 8.360 nan 0.000 0.452 129 L N 0.902 122.116 121.223 -0.015 0.000 1.994 129 L HA -0.094 4.246 4.340 0.000 0.000 0.208 129 L C 2.411 179.249 176.870 -0.052 0.000 1.071 129 L CA 1.825 56.639 54.840 -0.043 0.000 0.745 129 L CB -0.843 41.177 42.059 -0.065 0.000 0.892 129 L HN 0.152 nan 8.230 nan 0.000 0.431 130 R N -1.187 119.287 120.500 -0.043 0.000 2.096 130 R HA -0.195 4.145 4.340 0.000 0.000 0.235 130 R C 2.157 178.441 176.300 -0.027 0.000 1.127 130 R CA 1.202 57.279 56.100 -0.038 0.000 0.968 130 R CB -0.336 29.936 30.300 -0.045 0.000 0.861 130 R HN 0.531 nan 8.270 nan 0.000 0.440 131 Q N 0.539 120.327 119.800 -0.020 0.000 2.046 131 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 131 Q C 2.025 178.017 176.000 -0.013 0.000 0.975 131 Q CA 1.180 56.977 55.803 -0.011 0.000 0.836 131 Q CB 0.167 28.904 28.738 -0.002 0.000 0.896 131 Q HN 0.170 nan 8.270 nan 0.000 0.428 132 R N 0.621 121.110 120.500 -0.019 0.000 2.073 132 R HA -0.117 4.223 4.340 0.000 0.000 0.234 132 R C 2.061 178.344 176.300 -0.028 0.000 1.134 132 R CA 1.163 57.249 56.100 -0.023 0.000 0.952 132 R CB -0.702 29.581 30.300 -0.028 0.000 0.850 132 R HN 0.433 nan 8.270 nan 0.000 0.433 133 E N 0.641 120.818 120.200 -0.038 0.000 2.106 133 E HA -0.073 4.277 4.350 0.000 0.000 0.192 133 E C 1.674 178.261 176.600 -0.022 0.000 0.984 133 E CA 1.033 57.405 56.400 -0.046 0.000 0.806 133 E CB 0.115 29.773 29.700 -0.070 0.000 0.750 133 E HN 0.246 nan 8.360 nan 0.000 0.458 134 A N 0.592 123.406 122.820 -0.009 0.000 2.015 134 A HA -0.115 4.205 4.320 0.000 0.000 0.219 134 A C 2.282 179.866 177.584 0.000 0.000 1.163 134 A CA 1.612 53.651 52.037 0.003 0.000 0.646 134 A CB -0.490 18.514 19.000 0.007 0.000 0.806 134 A HN 0.314 nan 8.150 nan 0.000 0.448 135 S N -0.207 115.489 115.700 -0.006 0.000 2.368 135 S HA -0.014 4.456 4.470 0.000 0.000 0.224 135 S C 2.084 176.679 174.600 -0.008 0.000 1.029 135 S CA 1.737 59.934 58.200 -0.006 0.000 0.988 135 S CB -0.703 62.492 63.200 -0.008 0.000 0.838 135 S HN 0.629 nan 8.310 nan 0.000 0.462 136 G N 1.467 110.258 108.800 -0.015 0.000 2.442 136 G HA2 -0.179 3.781 3.960 0.000 0.000 0.219 136 G HA3 -0.179 3.781 3.960 0.000 0.000 0.219 136 G C 1.674 176.568 174.900 -0.010 0.000 1.141 136 G CA 0.550 45.639 45.100 -0.017 0.000 0.763 136 G HN 0.570 nan 8.290 nan 0.000 0.554 137 R N -0.344 120.154 120.500 -0.004 0.000 2.075 137 R HA 0.062 4.402 4.340 0.000 0.000 0.232 137 R C 2.611 178.915 176.300 0.007 0.000 1.126 137 R CA 1.016 57.120 56.100 0.006 0.000 0.963 137 R CB -0.273 30.038 30.300 0.018 0.000 0.858 137 R HN 0.257 nan 8.270 nan 0.000 0.435 138 R N 1.543 122.046 120.500 0.006 0.000 2.115 138 R HA -0.052 4.288 4.340 0.000 0.000 0.226 138 R C 2.288 178.590 176.300 0.003 0.000 1.100 138 R CA 1.273 57.377 56.100 0.006 0.000 0.980 138 R CB -0.001 30.303 30.300 0.006 0.000 0.875 138 R HN 0.238 nan 8.270 nan 0.000 0.445 139 M N -2.607 116.993 119.600 -0.001 0.000 2.556 139 M HA 0.296 4.776 4.480 0.000 0.000 0.245 139 M C 0.723 177.021 176.300 -0.003 0.000 1.128 139 M CA 1.278 56.576 55.300 -0.003 0.000 1.069 139 M CB 0.955 33.551 32.600 -0.007 0.000 1.469 139 M HN 0.121 nan 8.290 nan 0.000 0.494 140 G N 0.486 109.285 108.800 -0.001 0.000 2.141 140 G HA2 -0.159 3.801 3.960 0.000 0.000 0.195 140 G HA3 -0.159 3.801 3.960 0.000 0.000 0.195 140 G C 0.221 175.120 174.900 -0.001 0.000 1.012 140 G CA 0.014 45.114 45.100 0.001 0.000 0.696 140 G HN 0.346 nan 8.290 nan 0.000 0.508 141 V N -0.034 119.877 119.914 -0.005 0.000 2.743 141 V HA 0.388 4.508 4.120 0.000 0.000 0.237 141 V C 1.561 177.650 176.094 -0.009 0.000 1.113 141 V CA 1.014 63.309 62.300 -0.008 0.000 1.141 141 V CB 0.150 31.965 31.823 -0.015 0.000 0.873 141 V HN 0.396 nan 8.190 nan 0.000 0.486 142 I N 1.200 121.763 120.570 -0.013 0.000 2.441 142 I HA 0.540 4.710 4.170 0.000 0.000 0.287 142 I C -0.013 176.107 176.117 0.004 0.000 1.049 142 I CA 0.129 61.418 61.300 -0.018 0.000 1.381 142 I CB 1.048 39.026 38.000 -0.037 0.000 1.409 142 I HN 0.254 nan 8.210 nan 0.000 0.523 143 A N 4.514 127.343 122.820 0.015 0.000 2.515 143 A HA 0.963 5.283 4.320 0.000 0.000 0.298 143 A C -0.188 177.436 177.584 0.065 0.000 1.059 143 A CA 0.058 52.118 52.037 0.038 0.000 0.698 143 A CB 1.827 20.846 19.000 0.032 0.000 1.289 143 A HN 1.008 nan 8.150 nan 0.000 0.404 144 G N -0.820 108.035 108.800 0.093 0.000 2.302 144 G HA2 0.679 4.639 3.960 0.000 0.000 0.276 144 G HA3 0.679 4.639 3.960 0.000 0.000 0.276 144 G C -0.580 174.419 174.900 0.166 0.000 1.316 144 G CA 0.209 45.388 45.100 0.132 0.000 0.988 144 G HN 2.604 nan 8.290 nan 0.000 0.479 145 A N -1.427 121.501 122.820 0.180 0.000 2.566 145 A HA 1.000 5.320 4.320 0.000 0.000 0.297 145 A C 0.054 177.558 177.584 -0.132 0.000 1.059 145 A CA 0.760 52.838 52.037 0.068 0.000 0.691 145 A CB 0.949 19.966 19.000 0.028 0.000 1.282 145 A HN 2.582 nan 8.150 nan 0.000 0.401 146 A N 1.081 123.680 122.820 -0.369 0.000 2.351 146 A HA 0.714 5.034 4.320 0.000 0.000 0.257 146 A C 1.110 178.541 177.584 -0.256 0.000 1.087 146 A CA 0.404 52.078 52.037 -0.606 0.000 0.798 146 A CB -0.051 18.649 19.000 -0.499 0.000 1.033 146 A HN 2.478 nan 8.150 nan 0.000 0.488 147 A N 1.346 124.046 122.820 -0.200 0.000 2.394 147 A HA 0.438 4.758 4.320 0.000 0.000 0.256 147 A C 1.226 178.763 177.584 -0.079 0.000 1.700 147 A CA 1.478 53.456 52.037 -0.097 0.000 0.887 147 A CB -0.088 18.875 19.000 -0.061 0.000 1.487 147 A HN 0.992 nan 8.150 nan 0.000 0.641 148 R N -2.959 117.502 120.500 -0.066 0.000 3.262 148 R HA 0.197 4.537 4.340 0.000 0.000 0.076 148 R C 1.429 177.701 176.300 -0.047 0.000 0.789 148 R CA 0.346 56.409 56.100 -0.062 0.000 2.301 148 R CB -0.849 29.421 30.300 -0.050 0.000 1.525 148 R HN 0.482 nan 8.270 nan 0.000 0.473 149 L N 1.510 122.712 121.223 -0.036 0.000 1.953 149 L HA -0.048 4.292 4.340 0.000 0.000 0.246 149 L C 0.389 177.243 176.870 -0.028 0.000 1.050 149 L CA 1.358 56.181 54.840 -0.029 0.000 1.041 149 L CB -0.586 41.458 42.059 -0.025 0.000 0.983 149 L HN 0.156 nan 8.230 nan 0.000 0.478 150 D N -0.171 120.218 120.400 -0.019 0.000 2.473 150 D HA 0.321 4.961 4.640 0.000 0.000 0.226 150 D C 0.380 176.689 176.300 0.015 0.000 1.089 150 D CA -0.054 53.943 54.000 -0.005 0.000 0.883 150 D CB 1.133 41.925 40.800 -0.014 0.000 1.029 150 D HN 0.502 nan 8.370 nan 0.000 0.517 151 G N 3.064 111.877 108.800 0.022 0.000 3.377 151 G HA2 0.226 4.186 3.960 0.000 0.000 0.257 151 G HA3 0.226 4.186 3.960 0.000 0.000 0.257 151 G C 0.404 175.370 174.900 0.110 0.000 1.038 151 G CA -0.183 44.952 45.100 0.059 0.000 0.809 151 G HN 0.420 nan 8.290 nan 0.000 0.526 152 L N -0.743 120.496 121.223 0.027 0.000 2.397 152 L HA 0.748 5.088 4.340 0.000 0.000 0.266 152 L C 1.446 178.277 176.870 -0.065 0.000 1.040 152 L CA -0.255 54.525 54.840 -0.101 0.000 0.800 152 L CB 0.729 42.693 42.059 -0.158 0.000 1.324 152 L HN 0.338 nan 8.230 nan 0.000 0.469 153 G N -0.061 108.638 108.800 -0.169 0.000 2.552 153 G HA2 0.147 4.107 3.960 0.000 0.000 0.265 153 G HA3 0.147 4.107 3.960 0.000 0.000 0.265 153 G C 0.260 175.256 174.900 0.159 0.000 1.234 153 G CA -0.083 45.000 45.100 -0.029 0.000 0.944 153 G HN 1.774 nan 8.290 nan 0.000 0.568 154 G N -1.408 107.476 108.800 0.140 0.000 3.409 154 G HA2 0.312 4.272 3.960 0.000 0.000 0.686 154 G HA3 0.312 4.272 3.960 0.000 0.000 0.686 154 G C -0.318 174.658 174.900 0.126 0.000 1.017 154 G CA 0.608 45.804 45.100 0.159 0.000 0.854 154 G HN 1.187 nan 8.290 nan 0.000 0.508 155 R N 0.620 121.163 120.500 0.071 0.000 2.234 155 R HA 0.546 4.886 4.340 0.000 0.000 0.324 155 R C 0.151 176.470 176.300 0.032 0.000 1.054 155 R CA -0.603 55.528 56.100 0.052 0.000 0.912 155 R CB 1.739 32.064 30.300 0.041 0.000 1.030 155 R HN 0.353 nan 8.270 nan 0.000 0.455 156 V N 4.991 124.918 119.914 0.022 0.000 2.448 156 V HA 0.252 4.372 4.120 0.000 0.000 0.295 156 V C -0.870 175.230 176.094 0.010 0.000 1.025 156 V CA -0.912 61.387 62.300 -0.003 0.000 0.859 156 V CB 1.783 33.580 31.823 -0.044 0.000 0.988 156 V HN 0.463 nan 8.190 nan 0.000 0.431 157 L N 7.040 128.274 121.223 0.019 0.000 2.272 157 L HA 0.589 4.929 4.340 0.000 0.000 0.289 157 L C -0.333 176.549 176.870 0.021 0.000 1.032 157 L CA 0.118 54.974 54.840 0.026 0.000 0.810 157 L CB 1.048 43.135 42.059 0.047 0.000 1.205 157 L HN 0.536 nan 8.230 nan 0.000 0.422 158 I N 6.566 127.140 120.570 0.007 0.000 2.313 158 I HA 0.206 4.376 4.170 0.000 0.000 0.286 158 I C -0.473 175.635 176.117 -0.014 0.000 1.091 158 I CA -0.647 60.654 61.300 0.001 0.000 1.216 158 I CB 1.057 39.057 38.000 0.000 0.000 1.434 158 I HN 0.239 nan 8.210 nan 0.000 0.487 159 V N 5.323 125.218 119.914 -0.032 0.000 2.356 159 V HA 0.257 4.377 4.120 0.000 0.000 0.258 159 V C -0.154 175.955 176.094 0.025 0.000 1.065 159 V CA 0.210 62.447 62.300 -0.104 0.000 0.935 159 V CB 0.481 32.102 31.823 -0.337 0.000 1.061 159 V HN 0.609 nan 8.190 nan 0.000 0.484 160 D N 2.806 123.248 120.400 0.070 0.000 2.736 160 D HA 0.238 4.878 4.640 0.000 0.000 0.223 160 D C 0.097 176.482 176.300 0.142 0.000 1.231 160 D CA -0.444 53.626 54.000 0.118 0.000 0.818 160 D CB 2.705 43.528 40.800 0.038 0.000 1.587 160 D HN 0.333 nan 8.370 nan 0.000 0.463 161 D N 0.510 120.995 120.400 0.143 0.000 2.327 161 D HA -0.030 4.610 4.640 0.000 0.000 0.205 161 D C 0.045 176.376 176.300 0.051 0.000 0.989 161 D CA 0.347 54.430 54.000 0.138 0.000 0.873 161 D CB 0.321 41.162 40.800 0.068 0.000 0.955 161 D HN 0.214 nan 8.370 nan 0.000 0.515 162 N N 1.430 120.143 118.700 0.022 0.000 2.645 162 N HA -0.012 4.728 4.740 0.000 0.000 0.233 162 N C 0.932 176.447 175.510 0.008 0.000 1.058 162 N CA -0.029 53.025 53.050 0.006 0.000 0.942 162 N CB 0.642 39.123 38.487 -0.009 0.000 1.210 162 N HN -0.058 nan 8.380 nan 0.000 0.512 163 E N 2.278 122.484 120.200 0.010 0.000 2.132 163 E HA -0.308 4.042 4.350 0.000 0.000 0.218 163 E C 1.334 177.936 176.600 0.004 0.000 1.058 163 E CA 1.575 57.979 56.400 0.007 0.000 0.882 163 E CB 0.078 29.782 29.700 0.006 0.000 0.774 163 E HN 0.622 nan 8.360 nan 0.000 0.467 164 R N 0.373 120.874 120.500 0.002 0.000 2.066 164 R HA -0.140 4.200 4.340 0.000 0.000 0.232 164 R C 2.565 178.864 176.300 -0.001 0.000 1.131 164 R CA 1.789 57.889 56.100 -0.000 0.000 0.955 164 R CB -0.157 30.142 30.300 -0.002 0.000 0.851 164 R HN 0.203 nan 8.270 nan 0.000 0.432 165 Q N -0.204 119.595 119.800 -0.003 0.000 2.050 165 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 165 Q C 1.922 177.921 176.000 -0.002 0.000 0.980 165 Q CA 1.740 57.541 55.803 -0.004 0.000 0.840 165 Q CB -0.174 28.560 28.738 -0.008 0.000 0.898 165 Q HN 0.426 nan 8.270 nan 0.000 0.424 166 A N 0.781 123.601 122.820 0.001 0.000 1.927 166 A HA -0.266 4.054 4.320 0.000 0.000 0.220 166 A C 2.060 179.646 177.584 0.002 0.000 1.185 166 A CA 1.784 53.823 52.037 0.003 0.000 0.639 166 A CB -0.652 18.353 19.000 0.007 0.000 0.820 166 A HN 0.487 nan 8.150 nan 0.000 0.451 167 Q N -1.087 118.714 119.800 0.002 0.000 2.123 167 Q HA -0.136 4.204 4.340 0.000 0.000 0.199 167 Q C 2.313 178.315 176.000 0.003 0.000 0.966 167 Q CA 1.456 57.261 55.803 0.003 0.000 0.845 167 Q CB -0.299 28.440 28.738 0.002 0.000 0.907 167 Q HN 0.784 nan 8.270 nan 0.000 0.439 168 R N 0.330 120.831 120.500 0.001 0.000 2.066 168 R HA -0.092 4.248 4.340 0.000 0.000 0.232 168 R C 2.268 178.569 176.300 0.001 0.000 1.131 168 R CA 1.086 57.186 56.100 0.000 0.000 0.955 168 R CB -0.119 30.180 30.300 -0.002 0.000 0.851 168 R HN 0.032 nan 8.270 nan 0.000 0.432 169 V N 1.342 121.255 119.914 -0.001 0.000 2.324 169 V HA -0.302 3.818 4.120 0.000 0.000 0.250 169 V C 2.495 178.591 176.094 0.003 0.000 1.060 169 V CA 2.118 64.416 62.300 -0.002 0.000 1.042 169 V CB -0.767 31.054 31.823 -0.004 0.000 0.650 169 V HN 0.585 nan 8.190 nan 0.000 0.450 170 A N -0.484 122.339 122.820 0.005 0.000 1.930 170 A HA -0.055 4.265 4.320 0.000 0.000 0.217 170 A C 2.393 179.987 177.584 0.017 0.000 1.175 170 A CA 1.943 53.987 52.037 0.011 0.000 0.627 170 A CB -0.659 18.347 19.000 0.010 0.000 0.815 170 A HN 0.585 nan 8.150 nan 0.000 0.443 171 A N -0.190 122.638 122.820 0.012 0.000 1.898 171 A HA -0.101 4.219 4.320 0.000 0.000 0.216 171 A C 1.985 179.579 177.584 0.018 0.000 1.181 171 A CA 2.059 54.104 52.037 0.013 0.000 0.620 171 A CB -0.430 18.575 19.000 0.007 0.000 0.819 171 A HN 0.535 nan 8.150 nan 0.000 0.442 172 E N 0.448 120.658 120.200 0.017 0.000 2.047 172 E HA -0.108 4.242 4.350 0.000 0.000 0.191 172 E C 1.793 178.422 176.600 0.048 0.000 0.987 172 E CA 1.372 57.785 56.400 0.022 0.000 0.799 172 E CB -0.473 29.235 29.700 0.013 0.000 0.752 172 E HN 0.562 nan 8.360 nan 0.000 0.449 173 L N -0.219 121.038 121.223 0.057 0.000 2.201 173 L HA 0.011 4.351 4.340 0.000 0.000 0.212 173 L C 2.454 179.408 176.870 0.139 0.000 1.105 173 L CA 0.854 55.767 54.840 0.122 0.000 0.775 173 L CB -0.779 41.312 42.059 0.053 0.000 0.913 173 L HN 0.323 nan 8.230 nan 0.000 0.440 174 G N 0.209 109.053 108.800 0.072 0.000 2.507 174 G HA2 -0.229 3.731 3.960 0.000 0.000 0.221 174 G HA3 -0.229 3.731 3.960 0.000 0.000 0.221 174 G C 1.524 176.444 174.900 0.034 0.000 1.119 174 G CA 1.223 46.354 45.100 0.051 0.000 0.751 174 G HN 0.264 nan 8.290 nan 0.000 0.574 175 V N 0.239 120.168 119.914 0.025 0.000 2.323 175 V HA -0.041 4.079 4.120 0.000 0.000 0.244 175 V C 2.458 178.523 176.094 -0.047 0.000 1.041 175 V CA 1.852 64.148 62.300 -0.007 0.000 1.025 175 V CB -0.237 31.581 31.823 -0.008 0.000 0.656 175 V HN 0.261 nan 8.190 nan 0.000 0.451 176 E N -1.595 118.556 120.200 -0.082 0.000 2.431 176 E HA 0.178 4.528 4.350 0.000 0.000 0.200 176 E C 0.438 176.717 176.600 -0.533 0.000 0.995 176 E CA 0.278 56.503 56.400 -0.293 0.000 0.915 176 E CB 0.315 29.799 29.700 -0.360 0.000 0.930 176 E HN 0.684 nan 8.360 nan 0.000 0.496 177 H N -0.210 118.859 119.070 -0.001 0.000 2.908 177 H HA 0.489 5.045 4.556 -0.000 0.000 0.350 177 H C -0.260 175.070 175.328 0.003 0.000 1.217 177 H CA -0.834 55.215 56.048 0.002 0.000 1.168 177 H CB 1.223 30.987 29.762 0.003 0.000 1.891 177 H HN -0.208 nan 8.280 nan 0.000 0.566 178 R N 1.906 122.493 120.500 0.145 0.000 2.346 178 R HA 0.268 4.608 4.340 0.000 0.000 0.309 178 R C -2.524 173.817 176.300 0.068 0.000 1.119 178 R CA -1.610 54.538 56.100 0.079 0.000 1.112 178 R CB 0.776 31.108 30.300 0.053 0.000 1.132 178 R HN 0.300 nan 8.270 nan 0.000 0.538 179 P HA 0.210 nan 4.420 nan 0.000 0.276 179 P C -0.633 176.681 177.300 0.024 0.000 1.244 179 P CA -0.418 62.702 63.100 0.033 0.000 0.801 179 P CB 1.576 33.293 31.700 0.028 0.000 1.006 180 V N 3.054 122.978 119.914 0.017 0.000 2.733 180 V HA 0.331 4.451 4.120 0.000 0.000 0.306 180 V C 0.364 176.461 176.094 0.006 0.000 1.084 180 V CA -0.643 61.664 62.300 0.012 0.000 0.905 180 V CB 1.952 33.783 31.823 0.013 0.000 1.010 180 V HN 0.422 nan 8.190 nan 0.000 0.424 181 I N 3.454 124.025 120.570 0.002 0.000 2.532 181 I HA 0.577 4.747 4.170 0.000 0.000 0.292 181 I C -0.150 175.959 176.117 -0.012 0.000 1.014 181 I CA -0.113 61.185 61.300 -0.004 0.000 1.340 181 I CB 1.518 39.517 38.000 -0.001 0.000 1.422 181 I HN 0.677 nan 8.210 nan 0.000 0.528 182 E N 2.966 123.150 120.200 -0.026 0.000 2.466 182 E HA 0.141 4.491 4.350 0.000 0.000 0.308 182 E C -0.094 176.456 176.600 -0.083 0.000 0.933 182 E CA -0.407 55.964 56.400 -0.048 0.000 0.800 182 E CB 1.034 30.705 29.700 -0.048 0.000 1.434 182 E HN 0.507 nan 8.360 nan 0.000 0.389 183 S N 2.235 117.895 115.700 -0.068 0.000 2.558 183 S HA 0.058 4.528 4.470 0.000 0.000 0.217 183 S C 0.594 175.090 174.600 -0.173 0.000 0.975 183 S CA -0.057 58.103 58.200 -0.067 0.000 0.912 183 S CB 0.074 63.270 63.200 -0.008 0.000 0.776 183 S HN 0.447 nan 8.310 nan 0.000 0.526 184 D N 2.832 123.120 120.400 -0.186 0.000 2.317 184 D HA 0.248 4.888 4.640 0.000 0.000 0.234 184 D C -1.664 174.437 176.300 -0.331 0.000 1.112 184 D CA -2.084 51.780 54.000 -0.226 0.000 0.840 184 D CB 2.057 42.787 40.800 -0.117 0.000 1.078 184 D HN 0.042 nan 8.370 nan 0.000 0.486 185 P HA -0.109 nan 4.420 nan 0.000 0.219 185 P C 1.042 178.307 177.300 -0.058 0.000 1.150 185 P CA 0.761 63.572 63.100 -0.480 0.000 0.814 185 P CB 0.733 32.047 31.700 -0.644 0.000 0.787 186 E N 0.925 121.087 120.200 -0.064 0.000 2.047 186 E HA -0.138 4.212 4.350 0.000 0.000 0.191 186 E C 2.091 178.698 176.600 0.013 0.000 0.987 186 E CA 1.400 57.802 56.400 0.004 0.000 0.799 186 E CB -0.551 29.143 29.700 -0.010 0.000 0.752 186 E HN 0.105 nan 8.360 nan 0.000 0.449 187 K N -0.113 120.277 120.400 -0.017 0.000 2.063 187 K HA -0.145 4.175 4.320 0.000 0.000 0.208 187 K C 2.153 178.765 176.600 0.019 0.000 1.048 187 K CA 1.175 57.458 56.287 -0.007 0.000 0.928 187 K CB -0.280 32.205 32.500 -0.026 0.000 0.713 187 K HN 0.166 nan 8.250 nan 0.000 0.442 188 A N 1.908 124.739 122.820 0.018 0.000 1.908 188 A HA -0.239 4.081 4.320 0.000 0.000 0.218 188 A C 1.972 179.678 177.584 0.204 0.000 1.181 188 A CA 1.771 53.858 52.037 0.084 0.000 0.627 188 A CB -0.390 18.599 19.000 -0.017 0.000 0.818 188 A HN 0.222 nan 8.150 nan 0.000 0.445 189 K N -0.460 120.077 120.400 0.229 0.000 2.059 189 K HA -0.176 4.144 4.320 0.000 0.000 0.212 189 K C 1.724 178.353 176.600 0.048 0.000 1.050 189 K CA 1.941 58.287 56.287 0.098 0.000 0.927 189 K CB -0.444 32.078 32.500 0.036 0.000 0.714 189 K HN 0.605 nan 8.250 nan 0.000 0.447 190 I N 0.399 120.994 120.570 0.043 0.000 2.133 190 I HA -0.302 3.868 4.170 0.000 0.000 0.238 190 I C 2.217 178.352 176.117 0.031 0.000 1.074 190 I CA 1.259 62.575 61.300 0.025 0.000 1.342 190 I CB -0.391 37.620 38.000 0.018 0.000 1.053 190 I HN 0.065 nan 8.210 nan 0.000 0.404 191 S N 1.192 116.915 115.700 0.038 0.000 2.380 191 S HA -0.297 4.173 4.470 0.000 0.000 0.229 191 S C 2.239 176.867 174.600 0.045 0.000 1.043 191 S CA 1.551 59.773 58.200 0.037 0.000 1.038 191 S CB -0.721 62.501 63.200 0.037 0.000 0.872 191 S HN 0.572 nan 8.310 nan 0.000 0.456 192 A N 1.426 124.286 122.820 0.066 0.000 2.024 192 A HA 0.074 4.394 4.320 0.000 0.000 0.220 192 A C 2.300 179.905 177.584 0.035 0.000 1.164 192 A CA 1.652 53.728 52.037 0.065 0.000 0.643 192 A CB -1.294 17.761 19.000 0.092 0.000 0.806 192 A HN 0.548 nan 8.150 nan 0.000 0.451 193 G N -0.477 108.337 108.800 0.024 0.000 2.408 193 G HA2 0.212 4.172 3.960 0.000 0.000 0.217 193 G HA3 0.212 4.172 3.960 0.000 0.000 0.217 193 G C 1.121 176.032 174.900 0.018 0.000 1.150 193 G CA 1.016 46.125 45.100 0.015 0.000 0.776 193 G HN 0.754 nan 8.290 nan 0.000 0.542 194 G N 1.026 109.839 108.800 0.021 0.000 2.522 194 G HA2 0.338 4.298 3.960 0.000 0.000 0.223 194 G HA3 0.338 4.298 3.960 0.000 0.000 0.223 194 G C -1.820 173.094 174.900 0.023 0.000 1.565 194 G CA 0.017 45.129 45.100 0.021 0.000 1.053 194 G HN 0.258 nan 8.290 nan 0.000 0.547 195 P HA 0.439 nan 4.420 nan 0.000 0.251 195 P C -1.118 176.199 177.300 0.028 0.000 1.718 195 P CA -0.087 63.028 63.100 0.025 0.000 1.119 195 P CB 0.819 32.534 31.700 0.024 0.000 1.762 196 V N 2.916 122.847 119.914 0.029 0.000 2.808 196 V HA 0.222 4.342 4.120 0.000 0.000 0.308 196 V C 0.453 176.565 176.094 0.029 0.000 1.099 196 V CA -0.364 61.955 62.300 0.031 0.000 0.920 196 V CB 2.536 34.380 31.823 0.036 0.000 1.014 196 V HN 0.271 nan 8.190 nan 0.000 0.425 197 D N 1.948 122.365 120.400 0.028 0.000 2.380 197 D HA 0.240 4.880 4.640 0.000 0.000 0.212 197 D C -0.097 176.211 176.300 0.014 0.000 1.021 197 D CA 0.744 54.758 54.000 0.023 0.000 0.884 197 D CB 1.586 42.404 40.800 0.030 0.000 1.001 197 D HN 0.275 nan 8.370 nan 0.000 0.506 198 L N 0.498 121.727 121.223 0.011 0.000 2.545 198 L HA 0.334 4.674 4.340 0.000 0.000 0.258 198 L C -1.788 175.095 176.870 0.021 0.000 0.942 198 L CA -0.741 54.102 54.840 0.005 0.000 0.855 198 L CB 2.287 44.330 42.059 -0.027 0.000 1.374 198 L HN -0.346 nan 8.230 nan 0.000 0.411 199 V N 5.390 125.330 119.914 0.044 0.000 2.459 199 V HA 0.554 4.674 4.120 0.000 0.000 0.295 199 V C -0.059 176.073 176.094 0.063 0.000 1.029 199 V CA -0.402 61.943 62.300 0.075 0.000 0.874 199 V CB 1.703 33.612 31.823 0.143 0.000 0.985 199 V HN 0.614 nan 8.190 nan 0.000 0.438 200 I N 4.879 125.478 120.570 0.048 0.000 2.339 200 I HA 0.527 4.697 4.170 0.000 0.000 0.290 200 I C -0.660 175.488 176.117 0.052 0.000 0.994 200 I CA -0.568 60.756 61.300 0.039 0.000 1.191 200 I CB 1.821 39.827 38.000 0.009 0.000 1.343 200 I HN 0.296 nan 8.210 nan 0.000 0.458 201 V N 5.148 125.103 119.914 0.069 0.000 2.680 201 V HA 0.377 4.497 4.120 0.000 0.000 0.309 201 V C -0.184 175.935 176.094 0.041 0.000 1.052 201 V CA -0.891 61.455 62.300 0.077 0.000 0.908 201 V CB 2.133 34.056 31.823 0.167 0.000 1.001 201 V HN 0.627 nan 8.190 nan 0.000 0.431 202 N N 2.187 120.891 118.700 0.007 0.000 2.462 202 N HA 0.408 5.148 4.740 0.000 0.000 0.242 202 N C 0.663 176.104 175.510 -0.116 0.000 1.010 202 N CA 0.153 53.167 53.050 -0.060 0.000 0.939 202 N CB 1.811 40.239 38.487 -0.098 0.000 1.127 202 N HN 0.819 nan 8.380 nan 0.000 0.509 203 A N 3.147 125.929 122.820 -0.063 0.000 2.066 203 A HA 0.116 4.436 4.320 0.000 0.000 0.218 203 A C 1.366 178.888 177.584 -0.104 0.000 1.157 203 A CA 1.218 53.219 52.037 -0.060 0.000 0.670 203 A CB -0.062 18.931 19.000 -0.012 0.000 0.804 203 A HN 0.633 nan 8.150 nan 0.000 0.453 204 A N -0.459 122.295 122.820 -0.111 0.000 2.577 204 A HA 0.670 4.990 4.320 0.000 0.000 0.280 204 A C 0.915 178.399 177.584 -0.167 0.000 1.331 204 A CA 0.340 52.309 52.037 -0.113 0.000 0.935 204 A CB -0.971 17.987 19.000 -0.069 0.000 1.082 204 A HN 0.789 nan 8.150 nan 0.000 0.525 205 A N 0.177 122.822 122.820 -0.292 0.000 2.445 205 A HA 0.441 4.761 4.320 0.000 0.000 0.242 205 A C 1.112 178.508 177.584 -0.312 0.000 1.075 205 A CA -0.167 51.629 52.037 -0.403 0.000 0.777 205 A CB 0.448 18.882 19.000 -0.943 0.000 1.013 205 A HN 0.267 nan 8.150 nan 0.000 0.493 206 K N 1.085 121.367 120.400 -0.197 0.000 2.211 206 K HA 0.019 4.339 4.320 0.000 0.000 0.201 206 K C 0.794 177.355 176.600 -0.065 0.000 1.052 206 K CA 1.112 57.337 56.287 -0.103 0.000 0.973 206 K CB -0.005 32.464 32.500 -0.051 0.000 0.766 206 K HN 0.761 nan 8.250 nan 0.000 0.466 207 N N -0.022 118.660 118.700 -0.029 0.000 2.236 207 N HA 0.089 4.829 4.740 0.000 0.000 0.196 207 N C -0.330 175.323 175.510 0.239 0.000 1.114 207 N CA 0.045 53.160 53.050 0.109 0.000 0.859 207 N CB 0.611 39.200 38.487 0.170 0.000 0.982 207 N HN 0.069 nan 8.380 nan 0.000 0.493 208 F N -1.735 118.211 119.950 -0.007 0.000 2.741 208 F HA 0.369 4.896 4.527 0.000 0.000 0.311 208 F C -1.700 174.108 175.800 0.013 0.000 1.149 208 F CA -1.411 56.593 58.000 0.005 0.000 0.930 208 F CB 0.926 39.924 39.000 -0.003 0.000 1.312 208 F HN -0.360 nan 8.300 nan 0.000 0.450 209 D N 1.254 121.734 120.400 0.134 0.000 2.396 209 D HA 0.302 4.942 4.640 0.000 0.000 0.225 209 D C 1.152 177.552 176.300 0.168 0.000 1.121 209 D CA 0.305 54.333 54.000 0.047 0.000 0.853 209 D CB 1.621 42.472 40.800 0.086 0.000 1.043 209 D HN 0.870 nan 8.370 nan 0.000 0.500 210 G N 3.340 112.141 108.800 0.003 0.000 2.450 210 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 210 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 210 G C 1.347 176.394 174.900 0.245 0.000 1.130 210 G CA 0.354 45.549 45.100 0.158 0.000 0.760 210 G HN 0.477 nan 8.290 nan 0.000 0.557 211 L N 0.150 121.459 121.223 0.143 0.000 2.072 211 L HA 0.151 4.491 4.340 0.000 0.000 0.205 211 L C 2.748 179.701 176.870 0.139 0.000 1.079 211 L CA 1.464 56.380 54.840 0.127 0.000 0.752 211 L CB -0.870 41.233 42.059 0.074 0.000 0.906 211 L HN 0.239 nan 8.230 nan 0.000 0.436 212 R N -1.050 119.539 120.500 0.149 0.000 2.081 212 R HA -0.243 4.097 4.340 0.000 0.000 0.235 212 R C 2.403 178.802 176.300 0.165 0.000 1.131 212 R CA 1.579 57.760 56.100 0.136 0.000 0.960 212 R CB -0.521 29.859 30.300 0.133 0.000 0.856 212 R HN 0.264 nan 8.270 nan 0.000 0.436 213 F N 0.994 121.017 119.950 0.122 0.000 2.161 213 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 213 F C 1.816 177.665 175.800 0.082 0.000 1.089 213 F CA 2.059 60.127 58.000 0.113 0.000 1.282 213 F CB -0.324 38.788 39.000 0.187 0.000 1.010 213 F HN -0.012 nan 8.300 nan 0.000 0.485 214 T N 0.532 115.168 114.554 0.137 0.000 2.770 214 T HA -0.082 4.268 4.350 0.000 0.000 0.263 214 T C 2.282 176.956 174.700 -0.043 0.000 1.039 214 T CA 1.210 63.330 62.100 0.034 0.000 1.142 214 T CB -0.864 68.086 68.868 0.137 0.000 0.868 214 T HN 0.358 nan 8.240 nan 0.000 0.435 215 A N 1.791 124.611 122.820 -0.001 0.000 1.917 215 A HA 0.000 4.320 4.320 0.000 0.000 0.219 215 A C 2.653 180.200 177.584 -0.060 0.000 1.182 215 A CA 2.099 54.127 52.037 -0.014 0.000 0.633 215 A CB -1.252 17.755 19.000 0.011 0.000 0.819 215 A HN 0.522 nan 8.150 nan 0.000 0.448 216 A N -0.198 122.556 122.820 -0.110 0.000 1.865 216 A HA -0.131 4.189 4.320 0.000 0.000 0.217 216 A C 2.200 179.670 177.584 -0.190 0.000 1.191 216 A CA 1.689 53.632 52.037 -0.157 0.000 0.623 216 A CB -0.767 18.101 19.000 -0.220 0.000 0.826 216 A HN 0.503 nan 8.150 nan 0.000 0.444 217 L N -1.160 119.890 121.223 -0.289 0.000 2.012 217 L HA -0.222 4.118 4.340 0.000 0.000 0.210 217 L C 2.895 179.708 176.870 -0.095 0.000 1.073 217 L CA 1.397 56.110 54.840 -0.212 0.000 0.748 217 L CB -0.544 41.382 42.059 -0.222 0.000 0.891 217 L HN 0.309 nan 8.230 nan 0.000 0.431 218 R N 0.047 120.509 120.500 -0.064 0.000 2.120 218 R HA -0.112 4.228 4.340 0.000 0.000 0.234 218 R C 2.570 178.858 176.300 -0.020 0.000 1.123 218 R CA 1.678 57.767 56.100 -0.018 0.000 0.975 218 R CB -0.729 29.573 30.300 0.003 0.000 0.866 218 R HN 0.551 nan 8.270 nan 0.000 0.446 219 S N 0.354 116.033 115.700 -0.035 0.000 2.371 219 S HA -0.059 4.411 4.470 0.000 0.000 0.224 219 S C 0.634 175.219 174.600 -0.025 0.000 1.029 219 S CA 0.236 58.420 58.200 -0.026 0.000 0.978 219 S CB -0.118 63.065 63.200 -0.027 0.000 0.833 219 S HN 0.269 nan 8.310 nan 0.000 0.466 220 E N 1.796 121.974 120.200 -0.036 0.000 2.344 220 E HA 0.128 4.478 4.350 0.000 0.000 0.270 220 E C 0.931 177.520 176.600 -0.019 0.000 1.021 220 E CA 0.123 56.505 56.400 -0.029 0.000 0.887 220 E CB 0.863 30.539 29.700 -0.040 0.000 0.997 220 E HN 0.691 nan 8.360 nan 0.000 0.429 221 E N 3.937 124.130 120.200 -0.011 0.000 2.204 221 E HA -0.271 4.079 4.350 0.000 0.000 0.195 221 E C 1.891 178.491 176.600 -0.000 0.000 0.990 221 E CA 1.059 57.457 56.400 -0.003 0.000 0.821 221 E CB 0.105 29.805 29.700 -0.001 0.000 0.750 221 E HN 0.372 nan 8.360 nan 0.000 0.477 222 R N 0.921 121.418 120.500 -0.004 0.000 2.075 222 R HA -0.069 4.271 4.340 0.000 0.000 0.232 222 R C 1.888 178.189 176.300 0.001 0.000 1.126 222 R CA 2.129 58.228 56.100 -0.001 0.000 0.963 222 R CB -0.685 29.613 30.300 -0.003 0.000 0.858 222 R HN 0.332 nan 8.270 nan 0.000 0.435 223 T N -3.067 111.483 114.554 -0.006 0.000 3.174 223 T HA 0.243 4.593 4.350 0.000 0.000 0.269 223 T C 1.333 176.036 174.700 0.005 0.000 1.017 223 T CA -0.395 61.703 62.100 -0.004 0.000 0.899 223 T CB -0.022 68.832 68.868 -0.023 0.000 1.077 223 T HN 0.265 nan 8.240 nan 0.000 0.552 224 R N 0.753 121.261 120.500 0.012 0.000 2.189 224 R HA 0.027 4.367 4.340 0.000 0.000 0.223 224 R C 1.869 178.205 176.300 0.060 0.000 1.092 224 R CA 1.040 57.157 56.100 0.029 0.000 0.989 224 R CB 0.019 30.334 30.300 0.025 0.000 0.876 224 R HN 0.316 nan 8.270 nan 0.000 0.457 225 Q N 0.044 119.875 119.800 0.050 0.000 2.396 225 Q HA 0.025 4.365 4.340 0.000 0.000 0.209 225 Q C 0.141 176.165 176.000 0.040 0.000 0.906 225 Q CA -0.057 55.781 55.803 0.059 0.000 0.927 225 Q CB 0.082 28.844 28.738 0.041 0.000 1.069 225 Q HN 0.172 nan 8.270 nan 0.000 0.523 226 L N 4.219 125.461 121.223 0.032 0.000 2.660 226 L HA 0.038 4.378 4.340 0.000 0.000 0.272 226 L C -2.319 174.567 176.870 0.026 0.000 1.194 226 L CA -1.001 53.854 54.840 0.025 0.000 0.945 226 L CB 0.045 42.120 42.059 0.026 0.000 1.212 226 L HN -0.115 nan 8.230 nan 0.000 0.490 227 P HA 0.144 nan 4.420 nan 0.000 0.268 227 P C -1.221 176.092 177.300 0.021 0.000 1.205 227 P CA -0.051 63.039 63.100 -0.017 0.000 0.771 227 P CB 0.822 32.494 31.700 -0.047 0.000 0.858 228 V N 4.188 124.125 119.914 0.040 0.000 2.638 228 V HA 0.377 4.497 4.120 0.000 0.000 0.306 228 V C -0.442 175.689 176.094 0.062 0.000 1.052 228 V CA -0.657 61.686 62.300 0.072 0.000 0.885 228 V CB 1.945 33.834 31.823 0.110 0.000 0.999 228 V HN 0.336 nan 8.190 nan 0.000 0.424 229 L N 4.598 125.853 121.223 0.053 0.000 2.333 229 L HA 0.937 5.277 4.340 0.000 0.000 0.280 229 L C 0.067 176.968 176.870 0.053 0.000 1.004 229 L CA -0.187 54.678 54.840 0.042 0.000 0.820 229 L CB 1.386 43.453 42.059 0.014 0.000 1.247 229 L HN 0.782 nan 8.230 nan 0.000 0.416 230 A N 6.282 129.135 122.820 0.055 0.000 2.318 230 A HA 0.759 5.079 4.320 0.000 0.000 0.324 230 A C -0.541 177.063 177.584 0.032 0.000 1.170 230 A CA -0.675 51.394 52.037 0.054 0.000 0.810 230 A CB 0.650 19.690 19.000 0.066 0.000 1.198 230 A HN 0.762 nan 8.150 nan 0.000 0.484 231 M N 3.064 122.676 119.600 0.020 0.000 2.146 231 M HA 0.460 4.940 4.480 0.000 0.000 0.357 231 M C -0.295 176.005 176.300 -0.000 0.000 1.261 231 M CA -0.536 54.767 55.300 0.005 0.000 1.106 231 M CB 0.981 33.578 32.600 -0.005 0.000 1.612 231 M HN 0.565 nan 8.290 nan 0.000 0.470 232 V N -0.595 119.320 119.914 0.002 0.000 2.823 232 V HA 0.523 4.643 4.120 0.000 0.000 0.312 232 V C -0.534 175.558 176.094 -0.003 0.000 1.072 232 V CA -1.052 61.248 62.300 0.000 0.000 0.937 232 V CB 1.976 33.806 31.823 0.011 0.000 1.013 232 V HN 0.814 nan 8.190 nan 0.000 0.430 233 D N 4.442 124.837 120.400 -0.008 0.000 2.455 233 D HA 0.200 4.840 4.640 0.000 0.000 0.241 233 D C -1.649 174.651 176.300 0.000 0.000 1.138 233 D CA -1.118 52.878 54.000 -0.007 0.000 0.877 233 D CB 2.170 42.963 40.800 -0.012 0.000 1.187 233 D HN 0.551 nan 8.370 nan 0.000 0.451 234 P HA 0.097 nan 4.420 nan 0.000 0.245 234 P C -0.350 176.954 177.300 0.007 0.000 1.206 234 P CA 0.248 63.352 63.100 0.007 0.000 0.781 234 P CB 0.468 32.173 31.700 0.007 0.000 0.994 235 D N 0.163 120.565 120.400 0.004 0.000 2.738 235 D HA 0.113 4.753 4.640 0.000 0.000 0.246 235 D C -0.143 176.160 176.300 0.005 0.000 1.270 235 D CA 0.277 54.279 54.000 0.004 0.000 0.833 235 D CB -0.038 40.764 40.800 0.002 0.000 1.040 235 D HN 0.042 nan 8.370 nan 0.000 0.487 236 D N 0.640 121.044 120.400 0.006 0.000 2.849 236 D HA 0.052 4.692 4.640 0.000 0.000 0.314 236 D C 1.311 177.618 176.300 0.012 0.000 1.210 236 D CA -0.344 53.660 54.000 0.007 0.000 0.756 236 D CB 0.340 41.142 40.800 0.004 0.000 1.222 236 D HN -0.090 nan 8.370 nan 0.000 0.521 237 R N 0.421 120.929 120.500 0.013 0.000 2.133 237 R HA -0.145 4.195 4.340 0.000 0.000 0.247 237 R C 1.800 178.112 176.300 0.021 0.000 1.151 237 R CA 2.152 58.263 56.100 0.017 0.000 0.971 237 R CB -0.151 30.158 30.300 0.016 0.000 0.866 237 R HN 0.315 nan 8.270 nan 0.000 0.447 238 G N 0.189 109.000 108.800 0.019 0.000 2.418 238 G HA2 -0.294 3.666 3.960 0.000 0.000 0.217 238 G HA3 -0.294 3.666 3.960 0.000 0.000 0.217 238 G C 1.514 176.427 174.900 0.022 0.000 1.158 238 G CA 0.696 45.809 45.100 0.021 0.000 0.771 238 G HN 0.339 nan 8.290 nan 0.000 0.545 239 R N -0.666 119.845 120.500 0.019 0.000 2.115 239 R HA 0.152 4.492 4.340 0.000 0.000 0.230 239 R C 2.487 178.802 176.300 0.025 0.000 1.111 239 R CA 1.112 57.223 56.100 0.019 0.000 0.976 239 R CB -0.259 30.048 30.300 0.012 0.000 0.870 239 R HN 0.380 nan 8.270 nan 0.000 0.445 240 M N -0.353 119.261 119.600 0.025 0.000 2.086 240 M HA -0.166 4.314 4.480 0.000 0.000 0.261 240 M C 1.904 178.226 176.300 0.037 0.000 1.067 240 M CA 1.459 56.777 55.300 0.030 0.000 1.116 240 M CB 0.171 32.787 32.600 0.027 0.000 1.348 240 M HN 0.040 nan 8.290 nan 0.000 0.407 241 V N 0.058 119.994 119.914 0.035 0.000 2.343 241 V HA -0.299 3.821 4.120 0.000 0.000 0.247 241 V C 2.232 178.349 176.094 0.038 0.000 1.051 241 V CA 1.818 64.142 62.300 0.040 0.000 1.036 241 V CB -0.767 31.081 31.823 0.042 0.000 0.654 241 V HN 0.464 nan 8.190 nan 0.000 0.451 242 K N 0.040 120.460 120.400 0.033 0.000 2.020 242 K HA -0.245 4.075 4.320 0.000 0.000 0.212 242 K C 2.292 178.914 176.600 0.036 0.000 1.050 242 K CA 1.717 58.023 56.287 0.031 0.000 0.929 242 K CB -0.434 32.083 32.500 0.028 0.000 0.714 242 K HN 0.441 nan 8.250 nan 0.000 0.443 243 A N 1.322 124.167 122.820 0.042 0.000 1.873 243 A HA -0.213 4.107 4.320 0.000 0.000 0.218 243 A C 2.142 179.762 177.584 0.060 0.000 1.193 243 A CA 1.669 53.738 52.037 0.054 0.000 0.629 243 A CB -0.798 18.235 19.000 0.055 0.000 0.826 243 A HN 0.324 nan 8.150 nan 0.000 0.447 244 L N -1.130 120.127 121.223 0.057 0.000 2.083 244 L HA -0.206 4.134 4.340 0.000 0.000 0.209 244 L C 2.646 179.534 176.870 0.029 0.000 1.083 244 L CA 1.670 56.546 54.840 0.060 0.000 0.752 244 L CB -0.553 41.542 42.059 0.061 0.000 0.899 244 L HN 0.502 nan 8.230 nan 0.000 0.433 245 E N 0.402 120.615 120.200 0.023 0.000 2.072 245 E HA -0.226 4.124 4.350 0.000 0.000 0.191 245 E C 2.191 178.787 176.600 -0.006 0.000 0.985 245 E CA 1.555 57.956 56.400 0.003 0.000 0.801 245 E CB -0.141 29.566 29.700 0.011 0.000 0.750 245 E HN 0.611 nan 8.360 nan 0.000 0.452 246 I N -3.144 117.434 120.570 0.013 0.000 2.676 246 I HA 0.071 4.241 4.170 0.000 0.000 0.259 246 I C 1.348 177.474 176.117 0.015 0.000 1.194 246 I CA 1.427 62.735 61.300 0.014 0.000 1.473 246 I CB 0.153 38.170 38.000 0.029 0.000 1.096 246 I HN 0.184 nan 8.210 nan 0.000 0.443 247 G N 0.880 109.698 108.800 0.030 0.000 2.507 247 G HA2 -0.101 3.859 3.960 0.000 0.000 0.205 247 G HA3 -0.101 3.859 3.960 0.000 0.000 0.205 247 G C 0.013 175.031 174.900 0.197 0.000 0.996 247 G CA -0.078 45.051 45.100 0.048 0.000 0.776 247 G HN 0.164 nan 8.290 nan 0.000 0.532 248 V N 1.444 121.457 119.914 0.166 0.000 2.644 248 V HA 0.017 4.137 4.120 0.000 0.000 0.305 248 V C 1.733 177.994 176.094 0.279 0.000 1.053 248 V CA 1.315 63.728 62.300 0.188 0.000 1.186 248 V CB 0.753 32.653 31.823 0.129 0.000 0.895 248 V HN 0.449 nan 8.190 nan 0.000 0.490 249 N N 2.674 121.506 118.700 0.220 0.000 2.188 249 N HA -0.032 4.708 4.740 0.000 0.000 0.184 249 N C 0.177 175.754 175.510 0.112 0.000 1.018 249 N CA 1.175 54.298 53.050 0.121 0.000 0.858 249 N CB 0.055 38.476 38.487 -0.110 0.000 0.989 249 N HN 0.829 nan 8.380 nan 0.000 0.426 250 D N -1.691 118.762 120.400 0.088 0.000 2.648 250 D HA 0.365 5.005 4.640 0.000 0.000 0.244 250 D C -1.587 174.749 176.300 0.061 0.000 1.244 250 D CA -0.574 53.468 54.000 0.070 0.000 0.772 250 D CB 1.251 42.074 40.800 0.038 0.000 1.379 250 D HN -0.191 nan 8.370 nan 0.000 0.428 251 I N 1.516 122.119 120.570 0.055 0.000 2.530 251 I HA 0.506 4.676 4.170 0.000 0.000 0.297 251 I C -0.895 175.242 176.117 0.034 0.000 1.011 251 I CA -1.096 60.232 61.300 0.045 0.000 1.107 251 I CB 1.997 40.025 38.000 0.047 0.000 1.285 251 I HN 0.260 nan 8.210 nan 0.000 0.436 252 L N 4.778 126.017 121.223 0.025 0.000 2.404 252 L HA 0.438 4.778 4.340 0.000 0.000 0.272 252 L C -0.476 176.402 176.870 0.012 0.000 0.980 252 L CA 0.084 54.934 54.840 0.016 0.000 0.836 252 L CB 1.862 43.926 42.059 0.008 0.000 1.238 252 L HN 0.444 nan 8.230 nan 0.000 0.408 253 S N 4.260 119.967 115.700 0.012 0.000 2.548 253 S HA 0.515 4.985 4.470 0.000 0.000 0.277 253 S C -0.226 174.375 174.600 0.002 0.000 1.315 253 S CA -0.584 57.621 58.200 0.009 0.000 1.050 253 S CB 0.376 63.584 63.200 0.013 0.000 0.918 253 S HN 0.610 nan 8.310 nan 0.000 0.497 254 R N 3.199 123.698 120.500 -0.002 0.000 2.457 254 R HA 0.520 4.860 4.340 0.000 0.000 0.284 254 R C -2.739 173.558 176.300 -0.005 0.000 1.024 254 R CA -1.805 54.291 56.100 -0.006 0.000 1.025 254 R CB -0.419 29.874 30.300 -0.011 0.000 1.063 254 R HN 0.302 nan 8.270 nan 0.000 0.493 255 P HA 0.135 nan 4.420 nan 0.000 0.280 255 P C -0.194 177.101 177.300 -0.009 0.000 1.244 255 P CA -0.500 62.595 63.100 -0.008 0.000 0.784 255 P CB 0.618 32.313 31.700 -0.008 0.000 0.913 256 I N 2.932 123.496 120.570 -0.010 0.000 2.742 256 I HA -0.050 4.120 4.170 0.000 0.000 0.287 256 I C 0.999 177.108 176.117 -0.013 0.000 1.186 256 I CA 0.415 61.708 61.300 -0.011 0.000 1.417 256 I CB -0.990 37.004 38.000 -0.010 0.000 1.377 256 I HN 0.386 nan 8.210 nan 0.000 0.556 257 D N 10.470 130.860 120.400 -0.017 0.000 2.325 257 D HA 0.152 4.792 4.640 0.000 0.000 0.251 257 D C -1.417 174.869 176.300 -0.023 0.000 1.196 257 D CA -1.902 52.084 54.000 -0.023 0.000 0.866 257 D CB 1.721 42.503 40.800 -0.031 0.000 1.101 257 D HN 0.284 nan 8.370 nan 0.000 0.476 258 P HA -0.128 nan 4.420 nan 0.000 0.222 258 P C 0.796 178.086 177.300 -0.018 0.000 1.147 258 P CA 1.071 64.162 63.100 -0.016 0.000 0.790 258 P CB 0.556 32.249 31.700 -0.012 0.000 0.780 259 Q N -0.352 119.432 119.800 -0.028 0.000 2.250 259 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 259 Q C 2.337 178.312 176.000 -0.042 0.000 0.941 259 Q CA 0.470 56.253 55.803 -0.034 0.000 0.872 259 Q CB -0.194 28.516 28.738 -0.045 0.000 0.965 259 Q HN 0.326 nan 8.270 nan 0.000 0.480 260 E N 1.028 121.200 120.200 -0.047 0.000 2.038 260 E HA -0.252 4.098 4.350 0.000 0.000 0.195 260 E C 1.901 178.483 176.600 -0.031 0.000 1.000 260 E CA 1.052 57.423 56.400 -0.047 0.000 0.803 260 E CB -0.022 29.651 29.700 -0.045 0.000 0.750 260 E HN 0.196 nan 8.360 nan 0.000 0.448 261 L N 0.899 122.107 121.223 -0.024 0.000 1.997 261 L HA -0.239 4.101 4.340 0.000 0.000 0.216 261 L C 2.350 179.207 176.870 -0.023 0.000 1.074 261 L CA 2.269 57.096 54.840 -0.022 0.000 0.763 261 L CB -0.917 41.131 42.059 -0.019 0.000 0.890 261 L HN 0.036 nan 8.230 nan 0.000 0.434 262 S N -0.578 115.116 115.700 -0.010 0.000 2.383 262 S HA -0.156 4.314 4.470 0.000 0.000 0.229 262 S C 2.022 176.629 174.600 0.011 0.000 1.030 262 S CA 1.142 59.350 58.200 0.013 0.000 1.002 262 S CB -0.566 62.650 63.200 0.027 0.000 0.829 262 S HN 0.717 nan 8.310 nan 0.000 0.467 263 A N 1.748 124.563 122.820 -0.009 0.000 1.897 263 A HA -0.045 4.275 4.320 0.000 0.000 0.215 263 A C 2.107 179.686 177.584 -0.008 0.000 1.181 263 A CA 0.958 52.989 52.037 -0.011 0.000 0.620 263 A CB -0.344 18.637 19.000 -0.031 0.000 0.821 263 A HN 0.447 nan 8.150 nan 0.000 0.443 264 R N -0.679 119.812 120.500 -0.015 0.000 2.148 264 R HA 0.011 4.351 4.340 0.000 0.000 0.223 264 R C 1.884 178.168 176.300 -0.026 0.000 1.088 264 R CA 1.116 57.208 56.100 -0.013 0.000 0.985 264 R CB -0.445 29.850 30.300 -0.009 0.000 0.880 264 R HN 0.370 nan 8.270 nan 0.000 0.451 265 V N 1.881 121.768 119.914 -0.046 0.000 2.358 265 V HA -0.249 3.871 4.120 0.000 0.000 0.246 265 V C 2.476 178.533 176.094 -0.061 0.000 1.047 265 V CA 1.770 64.014 62.300 -0.093 0.000 1.035 265 V CB -0.415 31.290 31.823 -0.196 0.000 0.658 265 V HN 0.296 nan 8.190 nan 0.000 0.452 266 K N -0.132 120.267 120.400 -0.000 0.000 2.032 266 K HA -0.213 4.107 4.320 0.000 0.000 0.209 266 K C 2.151 178.766 176.600 0.024 0.000 1.048 266 K CA 2.164 58.485 56.287 0.057 0.000 0.927 266 K CB -0.444 32.101 32.500 0.075 0.000 0.712 266 K HN 0.439 nan 8.250 nan 0.000 0.441 267 T N 1.313 115.870 114.554 0.006 0.000 2.699 267 T HA -0.146 4.204 4.350 0.000 0.000 0.268 267 T C 1.826 176.520 174.700 -0.010 0.000 1.036 267 T CA 1.396 63.495 62.100 -0.002 0.000 1.147 267 T CB -0.145 68.721 68.868 -0.003 0.000 0.862 267 T HN 0.316 nan 8.240 nan 0.000 0.446 268 Q N 0.240 120.028 119.800 -0.020 0.000 2.123 268 Q HA 0.135 4.475 4.340 0.000 0.000 0.199 268 Q C 2.431 178.420 176.000 -0.019 0.000 0.966 268 Q CA 0.943 56.725 55.803 -0.035 0.000 0.845 268 Q CB -0.455 28.255 28.738 -0.046 0.000 0.907 268 Q HN 0.539 nan 8.270 nan 0.000 0.439 269 I N 1.461 122.029 120.570 -0.004 0.000 2.315 269 I HA -0.296 3.874 4.170 0.000 0.000 0.248 269 I C 2.578 178.717 176.117 0.036 0.000 1.117 269 I CA 1.269 62.581 61.300 0.020 0.000 1.404 269 I CB -0.228 37.798 38.000 0.044 0.000 1.071 269 I HN 0.313 nan 8.210 nan 0.000 0.419 270 Q N 0.756 120.577 119.800 0.034 0.000 2.245 270 Q HA -0.189 4.151 4.340 0.000 0.000 0.201 270 Q C 2.228 178.266 176.000 0.062 0.000 0.955 270 Q CA 0.849 56.676 55.803 0.040 0.000 0.870 270 Q CB -0.356 28.393 28.738 0.018 0.000 0.945 270 Q HN 0.410 nan 8.270 nan 0.000 0.461 271 R N 1.126 121.652 120.500 0.044 0.000 2.092 271 R HA -0.072 4.268 4.340 0.000 0.000 0.231 271 R C 2.322 178.673 176.300 0.086 0.000 1.119 271 R CA 1.260 57.402 56.100 0.070 0.000 0.970 271 R CB 0.032 30.336 30.300 0.006 0.000 0.864 271 R HN 0.176 nan 8.270 nan 0.000 0.440 272 K N 0.548 120.973 120.400 0.041 0.000 2.025 272 K HA -0.150 4.170 4.320 0.000 0.000 0.207 272 K C 1.998 178.633 176.600 0.057 0.000 1.049 272 K CA 1.340 57.645 56.287 0.031 0.000 0.933 272 K CB 0.021 32.530 32.500 0.014 0.000 0.714 272 K HN 0.154 nan 8.250 nan 0.000 0.438 273 R N -0.778 119.768 120.500 0.077 0.000 2.148 273 R HA -0.144 4.196 4.340 0.000 0.000 0.227 273 R C 2.261 178.649 176.300 0.146 0.000 1.103 273 R CA 1.164 57.318 56.100 0.090 0.000 0.983 273 R CB -0.330 30.016 30.300 0.077 0.000 0.874 273 R HN 0.275 nan 8.270 nan 0.000 0.451 274 Y N 1.629 121.948 120.300 0.032 0.000 2.181 274 Y HA -0.222 4.328 4.550 0.000 0.000 0.288 274 Y C 2.533 178.496 175.900 0.104 0.000 1.146 274 Y CA 1.851 59.984 58.100 0.055 0.000 1.164 274 Y CB -0.541 37.937 38.460 0.031 0.000 0.982 274 Y HN 0.078 nan 8.280 nan 0.000 0.515 275 T N -2.869 111.659 114.554 -0.044 0.000 2.995 275 T HA -0.093 4.257 4.350 0.000 0.000 0.269 275 T C 1.497 176.133 174.700 -0.107 0.000 1.091 275 T CA 1.337 63.349 62.100 -0.146 0.000 1.128 275 T CB -0.326 68.520 68.868 -0.035 0.000 0.891 275 T HN 0.227 nan 8.240 nan 0.000 0.492 276 D N 0.380 120.760 120.400 -0.035 0.000 2.103 276 D HA -0.022 4.618 4.640 0.000 0.000 0.199 276 D C 1.612 177.880 176.300 -0.053 0.000 0.978 276 D CA 1.030 55.009 54.000 -0.034 0.000 0.829 276 D CB -0.637 40.166 40.800 0.005 0.000 0.981 276 D HN 0.540 nan 8.370 nan 0.000 0.464 277 Y N 1.511 121.731 120.300 -0.133 0.000 2.207 277 Y HA -0.192 4.358 4.550 -0.000 0.000 0.287 277 Y C 2.058 177.847 175.900 -0.184 0.000 1.156 277 Y CA 1.361 59.383 58.100 -0.131 0.000 1.182 277 Y CB -0.318 38.105 38.460 -0.063 0.000 0.979 277 Y HN -0.073 nan 8.280 nan 0.000 0.521 278 L N -0.212 120.858 121.223 -0.254 0.000 2.027 278 L HA -0.191 4.149 4.340 0.000 0.000 0.206 278 L C 2.663 179.369 176.870 -0.274 0.000 1.074 278 L CA 1.408 56.051 54.840 -0.328 0.000 0.745 278 L CB -0.513 41.351 42.059 -0.325 0.000 0.898 278 L HN 0.134 nan 8.230 nan 0.000 0.433 279 R N 0.087 120.459 120.500 -0.212 0.000 2.120 279 R HA -0.142 4.198 4.340 0.000 0.000 0.234 279 R C 1.907 178.074 176.300 -0.223 0.000 1.123 279 R CA 1.621 57.620 56.100 -0.168 0.000 0.975 279 R CB -0.507 29.722 30.300 -0.118 0.000 0.866 279 R HN 0.569 nan 8.270 nan 0.000 0.446 280 N N 0.337 118.840 118.700 -0.329 0.000 2.109 280 N HA -0.099 4.641 4.740 0.000 0.000 0.188 280 N C 1.443 176.739 175.510 -0.356 0.000 1.034 280 N CA 0.713 53.460 53.050 -0.505 0.000 0.846 280 N CB -0.107 38.036 38.487 -0.572 0.000 1.010 280 N HN 0.104 nan 8.380 nan 0.000 0.425 281 N N 1.065 119.530 118.700 -0.390 0.000 2.069 281 N HA -0.160 4.580 4.740 0.000 0.000 0.196 281 N C 1.457 176.863 175.510 -0.173 0.000 1.024 281 N CA 0.977 53.842 53.050 -0.310 0.000 0.869 281 N CB -0.494 37.742 38.487 -0.419 0.000 1.035 281 N HN 0.129 nan 8.380 nan 0.000 0.434 282 L N 0.548 121.673 121.223 -0.163 0.000 2.093 282 L HA -0.082 4.258 4.340 0.000 0.000 0.208 282 L C 1.484 178.329 176.870 -0.042 0.000 1.085 282 L CA 1.678 56.462 54.840 -0.093 0.000 0.755 282 L CB -0.478 41.526 42.059 -0.091 0.000 0.904 282 L HN 0.112 nan 8.230 nan 0.000 0.435 283 D N -2.663 117.728 120.400 -0.015 0.000 2.652 283 D HA -0.037 4.603 4.640 0.000 0.000 0.261 283 D C 1.942 178.325 176.300 0.138 0.000 1.024 283 D CA 0.619 54.660 54.000 0.069 0.000 0.958 283 D CB -0.174 40.703 40.800 0.128 0.000 1.113 283 D HN 0.191 nan 8.370 nan 0.000 0.471 284 H N 0.191 119.230 119.070 -0.052 0.000 2.557 284 H HA 0.020 4.576 4.556 0.000 0.000 0.287 284 H C 1.743 177.048 175.328 -0.040 0.000 1.043 284 H CA 0.628 56.651 56.048 -0.042 0.000 1.226 284 H CB -0.201 29.535 29.762 -0.044 0.000 1.361 284 H HN -0.045 nan 8.280 nan 0.000 0.592 285 S N -0.697 115.044 115.700 0.069 0.000 2.527 285 S HA 0.087 4.557 4.470 0.000 0.000 0.222 285 S C 1.631 176.234 174.600 0.004 0.000 0.985 285 S CA -0.097 58.115 58.200 0.021 0.000 0.921 285 S CB -0.004 63.191 63.200 -0.008 0.000 0.772 285 S HN 0.411 nan 8.310 nan 0.000 0.529 286 L N 1.432 122.657 121.223 0.004 0.000 2.607 286 L HA 0.206 4.546 4.340 0.000 0.000 0.228 286 L C 1.674 178.534 176.870 -0.017 0.000 1.123 286 L CA 0.229 55.064 54.840 -0.009 0.000 0.890 286 L CB -0.266 41.787 42.059 -0.009 0.000 1.103 286 L HN 0.533 nan 8.230 nan 0.000 0.468 287 E N 0.563 120.750 120.200 -0.022 0.000 3.033 287 E HA -0.127 4.223 4.350 0.000 0.000 0.420 287 E C 0.696 177.280 176.600 -0.027 0.000 0.478 287 E CA -0.182 56.193 56.400 -0.041 0.000 2.555 287 E CB -0.395 29.254 29.700 -0.085 0.000 1.927 287 E HN 0.209 nan 8.360 nan 0.000 0.499 288 L N 2.092 123.303 121.223 -0.020 0.000 2.912 288 L HA 0.205 4.545 4.340 0.000 0.000 0.246 288 L C 0.849 177.720 176.870 0.002 0.000 1.371 288 L CA 0.138 54.973 54.840 -0.008 0.000 1.196 288 L CB -1.061 40.999 42.059 0.002 0.000 1.596 288 L HN 0.621 nan 8.230 nan 0.000 0.429 289 A N -0.383 122.437 122.820 0.001 0.000 5.696 289 A HA -0.303 4.017 4.320 0.000 0.000 0.491 289 A C 1.646 179.241 177.584 0.017 0.000 1.684 289 A CA 1.826 53.870 52.037 0.012 0.000 1.457 289 A CB -0.802 18.212 19.000 0.024 0.000 1.463 289 A HN 0.601 nan 8.150 nan 0.000 0.589 290 V N -3.792 116.149 119.914 0.046 0.000 0.441 290 V HA -0.324 3.796 4.120 0.000 0.000 0.092 290 V C 1.117 177.224 176.094 0.022 0.000 2.557 290 V CA 3.638 65.966 62.300 0.046 0.000 3.721 290 V CB -2.428 29.396 31.823 0.002 0.000 0.992 290 V HN 2.509 nan 8.190 nan 0.000 1.042 291 T N -1.903 112.631 114.554 -0.033 0.000 2.940 291 T HA 0.653 5.003 4.350 0.000 0.000 0.288 291 T C -0.784 173.904 174.700 -0.021 0.000 1.045 291 T CA 0.171 62.230 62.100 -0.068 0.000 1.018 291 T CB 2.471 71.239 68.868 -0.167 0.000 1.151 291 T HN 0.506 nan 8.240 nan 0.000 0.529 292 D N -0.360 120.032 120.400 -0.013 0.000 2.280 292 D HA 0.228 4.868 4.640 0.000 0.000 0.236 292 D C 1.195 177.500 176.300 0.007 0.000 1.082 292 D CA -0.489 53.516 54.000 0.008 0.000 0.834 292 D CB 1.517 42.333 40.800 0.027 0.000 1.100 292 D HN 0.624 nan 8.370 nan 0.000 0.486 293 Q N 2.666 122.472 119.800 0.009 0.000 2.061 293 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 293 Q C 1.677 177.694 176.000 0.028 0.000 0.984 293 Q CA 1.180 56.990 55.803 0.011 0.000 0.846 293 Q CB -0.015 28.730 28.738 0.012 0.000 0.902 293 Q HN 0.674 nan 8.270 nan 0.000 0.421 294 L N 0.148 121.398 121.223 0.045 0.000 2.017 294 L HA -0.154 4.186 4.340 0.000 0.000 0.208 294 L C 2.280 179.200 176.870 0.083 0.000 1.073 294 L CA 2.636 57.519 54.840 0.071 0.000 0.745 294 L CB -0.816 41.297 42.059 0.091 0.000 0.894 294 L HN 0.450 nan 8.230 nan 0.000 0.432 295 T N -5.246 109.363 114.554 0.092 0.000 3.015 295 T HA 0.375 4.725 4.350 0.000 0.000 0.250 295 T C 1.562 176.295 174.700 0.056 0.000 1.057 295 T CA 0.534 62.702 62.100 0.114 0.000 1.066 295 T CB 0.284 69.280 68.868 0.213 0.000 0.959 295 T HN 0.611 nan 8.240 nan 0.000 0.488 296 G N 1.584 110.396 108.800 0.019 0.000 2.284 296 G HA2 -0.232 3.728 3.960 0.000 0.000 0.247 296 G HA3 -0.232 3.728 3.960 0.000 0.000 0.247 296 G C 0.086 174.939 174.900 -0.078 0.000 1.012 296 G CA 0.265 45.344 45.100 -0.035 0.000 0.618 296 G HN 0.644 nan 8.290 nan 0.000 0.521 297 L N 1.155 122.370 121.223 -0.013 0.000 2.468 297 L HA 0.381 4.721 4.340 0.000 0.000 0.253 297 L C 1.403 178.232 176.870 -0.068 0.000 1.237 297 L CA -1.006 53.824 54.840 -0.018 0.000 0.823 297 L CB 0.132 42.269 42.059 0.130 0.000 1.124 297 L HN 0.145 nan 8.230 nan 0.000 0.504 298 H N 0.657 119.747 119.070 0.032 0.000 2.690 298 H HA 0.057 4.613 4.556 -0.000 0.000 0.365 298 H C -0.292 175.080 175.328 0.073 0.000 1.142 298 H CA -0.376 55.677 56.048 0.007 0.000 1.417 298 H CB 0.707 30.487 29.762 0.030 0.000 1.446 298 H HN 0.553 nan 8.280 nan 0.000 0.599 299 N N 0.675 119.501 118.700 0.211 0.000 2.366 299 N HA 0.007 4.747 4.740 0.000 0.000 0.277 299 N C 1.150 176.772 175.510 0.185 0.000 1.275 299 N CA -0.542 52.597 53.050 0.148 0.000 0.964 299 N CB 0.965 39.508 38.487 0.094 0.000 1.167 299 N HN 0.531 nan 8.380 nan 0.000 0.568 300 R N -0.696 119.869 120.500 0.109 0.000 2.075 300 R HA 0.007 4.347 4.340 0.000 0.000 0.226 300 R C 2.097 178.455 176.300 0.096 0.000 1.114 300 R CA 0.580 56.740 56.100 0.100 0.000 0.972 300 R CB -0.195 30.087 30.300 -0.031 0.000 0.869 300 R HN 0.692 nan 8.270 nan 0.000 0.437 301 R N -0.192 120.354 120.500 0.077 0.000 2.096 301 R HA -0.243 4.097 4.340 0.000 0.000 0.240 301 R C 2.061 178.414 176.300 0.088 0.000 1.139 301 R CA 2.027 58.166 56.100 0.066 0.000 0.952 301 R CB -0.746 29.590 30.300 0.060 0.000 0.854 301 R HN 0.344 nan 8.270 nan 0.000 0.436 302 Y N 1.069 121.386 120.300 0.028 0.000 2.097 302 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 302 Y C 2.556 178.446 175.900 -0.017 0.000 1.152 302 Y CA 2.323 60.425 58.100 0.004 0.000 1.136 302 Y CB -0.339 38.130 38.460 0.016 0.000 0.975 302 Y HN 0.059 nan 8.280 nan 0.000 0.498 303 M N 0.107 119.762 119.600 0.092 0.000 2.080 303 M HA -0.209 4.271 4.480 0.000 0.000 0.260 303 M C 2.279 178.550 176.300 -0.048 0.000 1.068 303 M CA 2.699 58.010 55.300 0.019 0.000 1.109 303 M CB -1.144 31.546 32.600 0.150 0.000 1.342 303 M HN 0.538 nan 8.290 nan 0.000 0.405 304 T N -2.078 112.478 114.554 0.004 0.000 2.833 304 T HA -0.041 4.309 4.350 0.000 0.000 0.269 304 T C 1.929 176.590 174.700 -0.065 0.000 1.054 304 T CA 1.533 63.630 62.100 -0.005 0.000 1.135 304 T CB -1.272 67.615 68.868 0.031 0.000 0.869 304 T HN 0.499 nan 8.240 nan 0.000 0.466 305 G N 1.096 109.826 108.800 -0.117 0.000 2.459 305 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 305 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 305 G C 1.751 176.537 174.900 -0.189 0.000 1.183 305 G CA 0.706 45.715 45.100 -0.152 0.000 0.776 305 G HN 0.452 nan 8.290 nan 0.000 0.552 306 Q N -0.312 119.309 119.800 -0.298 0.000 2.124 306 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 306 Q C 2.602 178.521 176.000 -0.135 0.000 0.977 306 Q CA 0.863 56.514 55.803 -0.254 0.000 0.850 306 Q CB -0.536 28.001 28.738 -0.335 0.000 0.901 306 Q HN 0.459 nan 8.270 nan 0.000 0.429 307 L N 1.355 122.516 121.223 -0.104 0.000 2.141 307 L HA -0.152 4.188 4.340 0.000 0.000 0.209 307 L C 1.323 178.165 176.870 -0.048 0.000 1.094 307 L CA 1.704 56.509 54.840 -0.058 0.000 0.763 307 L CB -0.429 41.610 42.059 -0.034 0.000 0.908 307 L HN 0.023 nan 8.230 nan 0.000 0.437 308 D N -0.938 119.430 120.400 -0.052 0.000 2.087 308 D HA -0.165 4.475 4.640 0.000 0.000 0.192 308 D C 2.307 178.584 176.300 -0.040 0.000 0.993 308 D CA 1.731 55.708 54.000 -0.039 0.000 0.828 308 D CB -0.237 40.540 40.800 -0.039 0.000 0.968 308 D HN 0.290 nan 8.370 nan 0.000 0.448 309 S N 0.044 115.713 115.700 -0.052 0.000 2.359 309 S HA -0.117 4.353 4.470 0.000 0.000 0.224 309 S C 2.177 176.755 174.600 -0.037 0.000 1.035 309 S CA 0.690 58.863 58.200 -0.045 0.000 1.018 309 S CB -0.369 62.798 63.200 -0.056 0.000 0.876 309 S HN 0.222 nan 8.310 nan 0.000 0.448 310 L N 0.939 122.137 121.223 -0.042 0.000 2.093 310 L HA -0.059 4.281 4.340 0.000 0.000 0.208 310 L C 2.319 179.174 176.870 -0.025 0.000 1.085 310 L CA 0.762 55.583 54.840 -0.032 0.000 0.755 310 L CB -0.592 41.446 42.059 -0.034 0.000 0.904 310 L HN 0.192 nan 8.230 nan 0.000 0.435 311 V N -0.260 119.639 119.914 -0.025 0.000 2.453 311 V HA -0.241 3.879 4.120 0.000 0.000 0.247 311 V C 2.536 178.621 176.094 -0.015 0.000 1.048 311 V CA 1.520 63.808 62.300 -0.019 0.000 1.049 311 V CB -0.382 31.430 31.823 -0.018 0.000 0.672 311 V HN 0.390 nan 8.190 nan 0.000 0.457 312 K N 0.477 120.867 120.400 -0.017 0.000 1.991 312 K HA -0.260 4.060 4.320 0.000 0.000 0.212 312 K C 2.403 178.996 176.600 -0.012 0.000 1.049 312 K CA 2.067 58.346 56.287 -0.013 0.000 0.932 312 K CB -0.237 32.254 32.500 -0.015 0.000 0.717 312 K HN 0.282 nan 8.250 nan 0.000 0.441 313 R N 0.165 120.657 120.500 -0.014 0.000 2.117 313 R HA -0.179 4.162 4.340 0.000 0.000 0.243 313 R C 2.053 178.346 176.300 -0.010 0.000 1.143 313 R CA 1.527 57.620 56.100 -0.012 0.000 0.968 313 R CB -0.327 29.965 30.300 -0.013 0.000 0.863 313 R HN 0.312 nan 8.270 nan 0.000 0.444 314 A N 0.264 123.077 122.820 -0.012 0.000 1.858 314 A HA -0.197 4.123 4.320 0.000 0.000 0.216 314 A C 2.295 179.874 177.584 -0.008 0.000 1.190 314 A CA 2.205 54.235 52.037 -0.011 0.000 0.617 314 A CB -1.323 17.669 19.000 -0.013 0.000 0.827 314 A HN 0.663 nan 8.150 nan 0.000 0.443 315 T N -1.425 113.125 114.554 -0.007 0.000 2.803 315 T HA -0.055 4.295 4.350 0.000 0.000 0.269 315 T C 1.429 176.128 174.700 -0.002 0.000 1.052 315 T CA 1.525 63.623 62.100 -0.004 0.000 1.136 315 T CB -0.509 68.358 68.868 -0.002 0.000 0.864 315 T HN 0.285 nan 8.240 nan 0.000 0.467 316 L N 0.585 121.806 121.223 -0.004 0.000 2.627 316 L HA 0.427 4.767 4.340 0.000 0.000 0.232 316 L C 1.943 178.811 176.870 -0.003 0.000 1.150 316 L CA 0.392 55.230 54.840 -0.003 0.000 0.917 316 L CB -0.296 41.760 42.059 -0.004 0.000 1.104 316 L HN 0.669 nan 8.230 nan 0.000 0.445 317 G N -0.948 107.850 108.800 -0.004 0.000 2.229 317 G HA2 -0.179 3.781 3.960 0.000 0.000 0.189 317 G HA3 -0.179 3.781 3.960 0.000 0.000 0.189 317 G C 0.553 175.450 174.900 -0.005 0.000 1.000 317 G CA -0.360 44.738 45.100 -0.004 0.000 0.663 317 G HN 0.449 nan 8.290 nan 0.000 0.493 318 G N -0.130 108.667 108.800 -0.006 0.000 2.489 318 G HA2 0.459 4.419 3.960 0.000 0.000 0.271 318 G HA3 0.459 4.419 3.960 0.000 0.000 0.271 318 G C -0.275 174.621 174.900 -0.007 0.000 1.427 318 G CA 0.188 45.284 45.100 -0.006 0.000 1.057 318 G HN 0.171 nan 8.290 nan 0.000 0.532 319 D N 1.278 121.673 120.400 -0.008 0.000 2.423 319 D HA 0.224 4.864 4.640 0.000 0.000 0.238 319 D C -1.662 174.632 176.300 -0.010 0.000 1.142 319 D CA -0.390 53.605 54.000 -0.008 0.000 0.884 319 D CB 0.850 41.646 40.800 -0.007 0.000 1.199 319 D HN 0.065 nan 8.370 nan 0.000 0.438 320 P HA 0.176 nan 4.420 nan 0.000 0.276 320 P C -0.713 176.579 177.300 -0.013 0.000 1.252 320 P CA -0.437 62.655 63.100 -0.014 0.000 0.802 320 P CB 0.891 32.582 31.700 -0.015 0.000 1.035 321 V N 0.309 120.213 119.914 -0.016 0.000 2.789 321 V HA 0.467 4.587 4.120 0.000 0.000 0.311 321 V C 0.050 176.134 176.094 -0.017 0.000 1.073 321 V CA -0.478 61.813 62.300 -0.015 0.000 0.921 321 V CB 1.943 33.755 31.823 -0.018 0.000 1.009 321 V HN 0.555 nan 8.190 nan 0.000 0.426 322 S N 1.628 117.320 115.700 -0.014 0.000 2.600 322 S HA 0.924 5.394 4.470 0.000 0.000 0.300 322 S C -0.317 174.274 174.600 -0.016 0.000 1.087 322 S CA -0.451 57.740 58.200 -0.015 0.000 0.965 322 S CB 1.984 65.177 63.200 -0.010 0.000 1.089 322 S HN 1.214 nan 8.310 nan 0.000 0.496 323 A N 1.632 124.440 122.820 -0.021 0.000 2.371 323 A HA 0.793 5.113 4.320 0.000 0.000 0.311 323 A C -1.653 175.917 177.584 -0.023 0.000 1.068 323 A CA -0.525 51.495 52.037 -0.028 0.000 0.744 323 A CB 0.593 19.564 19.000 -0.049 0.000 1.239 323 A HN 0.535 nan 8.150 nan 0.000 0.435 324 L N 1.939 123.153 121.223 -0.014 0.000 2.307 324 L HA 0.581 4.921 4.340 0.000 0.000 0.284 324 L C -0.603 176.256 176.870 -0.019 0.000 1.023 324 L CA -0.434 54.406 54.840 -0.001 0.000 0.810 324 L CB 1.415 43.492 42.059 0.029 0.000 1.231 324 L HN 0.649 nan 8.230 nan 0.000 0.423 325 L N 5.488 126.695 121.223 -0.026 0.000 2.316 325 L HA 0.619 4.959 4.340 0.000 0.000 0.280 325 L C -0.777 176.106 176.870 0.022 0.000 1.006 325 L CA 0.010 54.822 54.840 -0.047 0.000 0.836 325 L CB 0.851 42.846 42.059 -0.105 0.000 1.221 325 L HN 0.429 nan 8.230 nan 0.000 0.418 326 I N 4.711 125.335 120.570 0.089 0.000 2.412 326 I HA 0.439 4.609 4.170 0.000 0.000 0.296 326 I C -0.608 175.570 176.117 0.102 0.000 0.987 326 I CA -0.354 61.015 61.300 0.115 0.000 1.180 326 I CB 1.712 39.846 38.000 0.224 0.000 1.340 326 I HN 0.559 nan 8.210 nan 0.000 0.455 327 D N 7.315 127.724 120.400 0.015 0.000 2.863 327 D HA 0.369 5.009 4.640 0.000 0.000 0.245 327 D C -0.674 175.561 176.300 -0.108 0.000 1.211 327 D CA -0.436 53.547 54.000 -0.028 0.000 0.888 327 D CB 1.923 42.707 40.800 -0.027 0.000 1.483 327 D HN 0.300 nan 8.370 nan 0.000 0.533 328 I N 2.459 122.931 120.570 -0.163 0.000 2.588 328 I HA 0.049 4.219 4.170 0.000 0.000 0.283 328 I C 0.513 176.564 176.117 -0.109 0.000 1.119 328 I CA -0.252 60.933 61.300 -0.191 0.000 1.419 328 I CB 0.650 38.501 38.000 -0.249 0.000 1.394 328 I HN 0.196 nan 8.210 nan 0.000 0.562 329 D N 6.367 126.693 120.400 -0.122 0.000 2.304 329 D HA 0.175 4.815 4.640 0.000 0.000 0.250 329 D C 0.249 176.517 176.300 -0.054 0.000 1.107 329 D CA -0.034 53.815 54.000 -0.252 0.000 0.885 329 D CB 0.887 41.497 40.800 -0.317 0.000 1.192 329 D HN 0.380 nan 8.370 nan 0.000 0.436 330 F N 0.210 120.181 119.950 0.035 0.000 3.084 330 F HA -0.272 4.255 4.527 -0.000 0.000 0.286 330 F C 1.254 177.078 175.800 0.041 0.000 0.855 330 F CA -0.199 57.816 58.000 0.025 0.000 1.091 330 F CB -2.458 36.539 39.000 -0.004 0.000 1.177 330 F HN 0.373 nan 8.300 nan 0.000 0.542 331 F N 0.830 120.811 119.950 0.052 0.000 2.216 331 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 331 F C 2.304 178.111 175.800 0.013 0.000 1.085 331 F CA 2.380 60.386 58.000 0.010 0.000 1.326 331 F CB -0.217 38.766 39.000 -0.028 0.000 1.027 331 F HN 0.117 nan 8.300 nan 0.000 0.497 332 K N 0.357 120.802 120.400 0.074 0.000 2.097 332 K HA -0.202 4.118 4.320 0.000 0.000 0.206 332 K C 2.143 178.692 176.600 -0.085 0.000 1.049 332 K CA 1.462 57.739 56.287 -0.017 0.000 0.933 332 K CB -0.095 32.438 32.500 0.054 0.000 0.717 332 K HN 0.166 nan 8.250 nan 0.000 0.442 333 K N 0.355 120.742 120.400 -0.021 0.000 2.103 333 K HA -0.129 4.191 4.320 0.000 0.000 0.207 333 K C 1.966 178.493 176.600 -0.122 0.000 1.048 333 K CA 1.613 57.863 56.287 -0.062 0.000 0.930 333 K CB -0.099 32.384 32.500 -0.028 0.000 0.716 333 K HN 0.191 nan 8.250 nan 0.000 0.444 334 I N 1.228 121.704 120.570 -0.158 0.000 2.202 334 I HA -0.287 3.883 4.170 0.000 0.000 0.242 334 I C 1.847 177.832 176.117 -0.221 0.000 1.091 334 I CA 0.934 62.155 61.300 -0.132 0.000 1.368 334 I CB -0.345 37.468 38.000 -0.311 0.000 1.058 334 I HN 0.175 nan 8.210 nan 0.000 0.410 335 N N 0.844 119.279 118.700 -0.441 0.000 2.104 335 N HA -0.191 4.549 4.740 0.000 0.000 0.190 335 N C 1.414 176.772 175.510 -0.252 0.000 1.024 335 N CA 1.449 54.217 53.050 -0.471 0.000 0.853 335 N CB -0.372 37.712 38.487 -0.671 0.000 1.008 335 N HN 0.408 nan 8.380 nan 0.000 0.424 336 D N -0.597 119.688 120.400 -0.192 0.000 2.277 336 D HA 0.002 4.642 4.640 0.000 0.000 0.208 336 D C 1.087 177.273 176.300 -0.190 0.000 0.962 336 D CA 0.842 54.760 54.000 -0.136 0.000 0.865 336 D CB 0.258 40.996 40.800 -0.103 0.000 0.939 336 D HN 0.244 nan 8.370 nan 0.000 0.510 337 T N -0.440 113.933 114.554 -0.302 0.000 2.983 337 T HA 0.030 4.380 4.350 0.000 0.000 0.250 337 T C 1.205 175.531 174.700 -0.623 0.000 1.037 337 T CA 0.480 62.243 62.100 -0.562 0.000 1.142 337 T CB 0.163 68.466 68.868 -0.943 0.000 0.876 337 T HN 0.044 nan 8.240 nan 0.000 0.455 338 F N 0.712 120.599 119.950 -0.105 0.000 2.724 338 F HA 0.510 5.037 4.527 0.000 0.000 0.306 338 F C 1.394 177.148 175.800 -0.077 0.000 1.100 338 F CA -0.141 57.806 58.000 -0.089 0.000 1.255 338 F CB 0.269 39.208 39.000 -0.103 0.000 1.072 338 F HN 0.266 nan 8.300 nan 0.000 0.589 339 G N 0.051 108.877 108.800 0.043 0.000 2.690 339 G HA2 -0.235 3.725 3.960 0.000 0.000 0.686 339 G HA3 -0.235 3.725 3.960 0.000 0.000 0.686 339 G C -0.128 174.787 174.900 0.025 0.000 1.277 339 G CA -0.432 44.705 45.100 0.060 0.000 0.799 339 G HN 0.311 nan 8.290 nan 0.000 0.613 340 H N 0.238 119.316 119.070 0.013 0.000 2.457 340 H HA 0.019 4.575 4.556 0.000 0.000 0.294 340 H C 2.255 177.611 175.328 0.046 0.000 1.064 340 H CA 1.694 57.758 56.048 0.027 0.000 1.330 340 H CB 0.154 29.940 29.762 0.039 0.000 1.395 340 H HN 0.518 nan 8.280 nan 0.000 0.541 341 D N 0.216 120.703 120.400 0.146 0.000 2.133 341 D HA -0.144 4.497 4.640 0.000 0.000 0.195 341 D C 2.102 178.436 176.300 0.058 0.000 0.997 341 D CA 1.083 55.142 54.000 0.097 0.000 0.840 341 D CB -0.162 40.680 40.800 0.070 0.000 0.947 341 D HN 0.400 nan 8.370 nan 0.000 0.452 342 I N 0.399 120.983 120.570 0.023 0.000 2.406 342 I HA -0.072 4.098 4.170 0.000 0.000 0.249 342 I C 2.509 178.623 176.117 -0.005 0.000 1.122 342 I CA 0.861 62.150 61.300 -0.018 0.000 1.431 342 I CB -0.458 37.513 38.000 -0.047 0.000 1.087 342 I HN -0.004 nan 8.210 nan 0.000 0.424 343 G N 1.000 109.779 108.800 -0.036 0.000 2.469 343 G HA2 -0.267 3.693 3.960 0.000 0.000 0.219 343 G HA3 -0.267 3.693 3.960 0.000 0.000 0.219 343 G C 1.200 176.233 174.900 0.222 0.000 1.150 343 G CA 1.116 46.194 45.100 -0.037 0.000 0.763 343 G HN 0.300 nan 8.290 nan 0.000 0.561 344 D N 0.425 120.935 120.400 0.184 0.000 2.149 344 D HA -0.023 4.617 4.640 0.000 0.000 0.201 344 D C 2.379 178.789 176.300 0.184 0.000 0.972 344 D CA 0.704 54.827 54.000 0.204 0.000 0.835 344 D CB -0.302 40.599 40.800 0.168 0.000 0.966 344 D HN 0.439 nan 8.370 nan 0.000 0.476 345 E N 0.236 120.521 120.200 0.141 0.000 2.118 345 E HA -0.125 4.225 4.350 0.000 0.000 0.195 345 E C 2.145 178.864 176.600 0.198 0.000 0.992 345 E CA 0.640 57.122 56.400 0.135 0.000 0.804 345 E CB 0.186 29.933 29.700 0.077 0.000 0.741 345 E HN 0.094 nan 8.360 nan 0.000 0.458 346 V N 1.077 121.116 119.914 0.207 0.000 2.379 346 V HA -0.220 3.900 4.120 0.000 0.000 0.245 346 V C 2.260 178.552 176.094 0.330 0.000 1.044 346 V CA 1.246 63.700 62.300 0.256 0.000 1.036 346 V CB -0.364 31.529 31.823 0.116 0.000 0.664 346 V HN 0.252 nan 8.190 nan 0.000 0.453 347 L N -0.533 120.883 121.223 0.321 0.000 2.017 347 L HA -0.183 4.157 4.340 0.000 0.000 0.208 347 L C 2.845 179.915 176.870 0.334 0.000 1.073 347 L CA 1.722 56.772 54.840 0.349 0.000 0.745 347 L CB -0.598 41.653 42.059 0.319 0.000 0.894 347 L HN 0.231 nan 8.230 nan 0.000 0.432 348 R N -0.091 120.560 120.500 0.252 0.000 2.073 348 R HA -0.232 4.108 4.340 0.000 0.000 0.234 348 R C 2.244 178.634 176.300 0.150 0.000 1.134 348 R CA 1.889 58.097 56.100 0.179 0.000 0.952 348 R CB -0.352 30.030 30.300 0.136 0.000 0.850 348 R HN 0.416 nan 8.270 nan 0.000 0.433 349 E N 0.385 120.703 120.200 0.198 0.000 2.077 349 E HA -0.214 4.136 4.350 0.000 0.000 0.193 349 E C 1.776 178.467 176.600 0.153 0.000 0.989 349 E CA 1.076 57.562 56.400 0.142 0.000 0.800 349 E CB -0.217 29.581 29.700 0.164 0.000 0.746 349 E HN 0.313 nan 8.360 nan 0.000 0.452 350 F N 0.969 121.045 119.950 0.209 0.000 2.126 350 F HA -0.184 4.343 4.527 0.000 0.000 0.299 350 F C 2.076 177.802 175.800 -0.124 0.000 1.096 350 F CA 1.608 59.668 58.000 0.099 0.000 1.255 350 F CB -0.353 38.646 39.000 -0.002 0.000 0.997 350 F HN 0.137 nan 8.300 nan 0.000 0.479 351 A N 0.469 123.106 122.820 -0.306 0.000 1.908 351 A HA -0.176 4.144 4.320 0.000 0.000 0.218 351 A C 2.006 179.418 177.584 -0.285 0.000 1.181 351 A CA 1.897 53.732 52.037 -0.336 0.000 0.627 351 A CB -1.103 17.889 19.000 -0.014 0.000 0.818 351 A HN 0.435 nan 8.150 nan 0.000 0.445 352 L N -0.443 120.672 121.223 -0.181 0.000 2.046 352 L HA -0.113 4.227 4.340 0.000 0.000 0.208 352 L C 2.664 179.405 176.870 -0.214 0.000 1.077 352 L CA 1.785 56.531 54.840 -0.157 0.000 0.747 352 L CB -0.630 41.366 42.059 -0.105 0.000 0.896 352 L HN 0.323 nan 8.230 nan 0.000 0.432 353 R N -1.165 119.177 120.500 -0.262 0.000 2.115 353 R HA -0.133 4.207 4.340 0.000 0.000 0.230 353 R C 2.114 178.216 176.300 -0.329 0.000 1.111 353 R CA 1.007 56.943 56.100 -0.274 0.000 0.976 353 R CB -0.512 29.656 30.300 -0.221 0.000 0.870 353 R HN 0.219 nan 8.270 nan 0.000 0.445 354 L N 0.746 121.672 121.223 -0.495 0.000 2.007 354 L HA -0.032 4.308 4.340 0.000 0.000 0.205 354 L C 2.328 179.045 176.870 -0.255 0.000 1.073 354 L CA 1.940 56.514 54.840 -0.444 0.000 0.744 354 L CB -0.796 40.844 42.059 -0.700 0.000 0.898 354 L HN 0.090 nan 8.230 nan 0.000 0.435 355 A N -0.839 121.845 122.820 -0.228 0.000 1.927 355 A HA -0.271 4.049 4.320 0.000 0.000 0.220 355 A C 2.305 179.817 177.584 -0.120 0.000 1.185 355 A CA 2.431 54.388 52.037 -0.135 0.000 0.639 355 A CB -1.166 17.766 19.000 -0.114 0.000 0.820 355 A HN 0.676 nan 8.150 nan 0.000 0.451 356 S N -1.744 113.866 115.700 -0.151 0.000 2.575 356 S HA 0.135 4.605 4.470 0.000 0.000 0.215 356 S C 0.774 175.278 174.600 -0.160 0.000 0.966 356 S CA 0.183 58.300 58.200 -0.138 0.000 0.911 356 S CB -0.247 62.867 63.200 -0.143 0.000 0.780 356 S HN 0.591 nan 8.310 nan 0.000 0.514 357 N N 0.711 119.306 118.700 -0.176 0.000 2.235 357 N HA 0.320 5.060 4.740 0.000 0.000 0.231 357 N C -1.014 174.442 175.510 -0.090 0.000 1.177 357 N CA 0.141 53.082 53.050 -0.182 0.000 0.874 357 N CB 1.530 39.851 38.487 -0.277 0.000 1.097 357 N HN 0.183 nan 8.380 nan 0.000 0.518 358 V N 0.779 120.650 119.914 -0.073 0.000 3.078 358 V HA 0.352 4.472 4.120 0.000 0.000 0.311 358 V C -0.238 175.839 176.094 -0.029 0.000 1.138 358 V CA -0.833 61.444 62.300 -0.039 0.000 1.007 358 V CB 3.193 34.994 31.823 -0.037 0.000 1.045 358 V HN 0.039 nan 8.190 nan 0.000 0.432 359 R N 1.507 122.000 120.500 -0.013 0.000 2.615 359 R HA 0.458 4.798 4.340 0.000 0.000 0.270 359 R C 1.355 177.655 176.300 -0.001 0.000 1.081 359 R CA 0.276 56.372 56.100 -0.008 0.000 1.154 359 R CB 0.548 30.847 30.300 -0.001 0.000 1.063 359 R HN 0.888 nan 8.270 nan 0.000 0.519 360 A N 2.048 124.869 122.820 0.001 0.000 1.917 360 A HA -0.204 4.116 4.320 0.000 0.000 0.219 360 A C 1.918 179.516 177.584 0.024 0.000 1.182 360 A CA 1.549 53.593 52.037 0.011 0.000 0.633 360 A CB -0.472 18.534 19.000 0.009 0.000 0.819 360 A HN 0.690 nan 8.150 nan 0.000 0.448 361 I N 0.135 120.716 120.570 0.019 0.000 2.916 361 I HA -0.071 4.099 4.170 0.000 0.000 0.267 361 I C -0.219 175.914 176.117 0.027 0.000 1.263 361 I CA 0.193 61.507 61.300 0.022 0.000 1.471 361 I CB -0.374 37.634 38.000 0.014 0.000 1.089 361 I HN 0.175 nan 8.210 nan 0.000 0.468 362 D N 0.689 121.105 120.400 0.027 0.000 2.313 362 D HA 0.189 4.829 4.640 0.000 0.000 0.247 362 D C -0.253 176.081 176.300 0.056 0.000 1.094 362 D CA -0.155 53.865 54.000 0.032 0.000 0.925 362 D CB 1.593 42.407 40.800 0.023 0.000 1.188 362 D HN 0.021 nan 8.370 nan 0.000 0.430 363 L N 3.589 124.851 121.223 0.064 0.000 2.321 363 L HA 0.289 4.629 4.340 0.000 0.000 0.272 363 L C -2.447 174.497 176.870 0.124 0.000 1.050 363 L CA -1.618 53.286 54.840 0.106 0.000 0.893 363 L CB 1.253 43.360 42.059 0.081 0.000 1.272 363 L HN 0.039 nan 8.230 nan 0.000 0.435 364 P HA 0.290 nan 4.420 nan 0.000 0.288 364 P C -1.089 176.337 177.300 0.211 0.000 1.267 364 P CA -0.414 62.770 63.100 0.140 0.000 0.815 364 P CB 1.581 33.327 31.700 0.076 0.000 0.989 365 C N 2.758 122.206 119.300 0.246 0.000 3.239 365 C HA 0.737 5.197 4.460 0.000 0.000 0.317 365 C C -0.678 174.474 174.990 0.270 0.000 1.310 365 C CA -0.959 58.221 59.018 0.269 0.000 1.371 365 C CB 1.534 29.432 27.740 0.263 0.000 1.714 365 C HN 0.615 nan 8.230 nan 0.000 0.473 366 R N 1.822 122.423 120.500 0.169 0.000 2.234 366 R HA 0.453 4.793 4.340 0.000 0.000 0.324 366 R C -0.370 175.936 176.300 0.011 0.000 1.054 366 R CA -0.031 56.039 56.100 -0.049 0.000 0.912 366 R CB 0.248 30.514 30.300 -0.056 0.000 1.030 366 R HN 0.892 nan 8.270 nan 0.000 0.455 367 Y N 2.700 122.869 120.300 -0.218 0.000 2.539 367 Y HA 0.492 5.042 4.550 0.000 0.000 0.284 367 Y C 0.576 176.396 175.900 -0.134 0.000 1.134 367 Y CA 1.020 59.050 58.100 -0.117 0.000 1.251 367 Y CB 0.805 39.219 38.460 -0.077 0.000 1.260 367 Y HN 0.647 nan 8.280 nan 0.000 0.528 368 G N -1.571 107.133 108.800 -0.160 0.000 2.870 368 G HA2 0.387 4.347 3.960 0.000 0.000 0.299 368 G HA3 0.387 4.347 3.960 0.000 0.000 0.299 368 G C 0.654 175.426 174.900 -0.213 0.000 1.324 368 G CA -0.297 44.684 45.100 -0.198 0.000 0.808 368 G HN 0.274 nan 8.290 nan 0.000 0.535 369 G N 0.144 108.854 108.800 -0.150 0.000 2.586 369 G HA2 -0.149 3.811 3.960 0.000 0.000 0.218 369 G HA3 -0.149 3.811 3.960 0.000 0.000 0.218 369 G C 1.127 175.874 174.900 -0.255 0.000 1.216 369 G CA 1.865 46.884 45.100 -0.135 0.000 0.786 369 G HN 0.857 nan 8.290 nan 0.000 0.583 370 E N -0.321 119.712 120.200 -0.279 0.000 2.603 370 E HA 0.371 4.721 4.350 0.000 0.000 0.211 370 E C 0.060 176.518 176.600 -0.237 0.000 0.995 370 E CA -0.251 55.905 56.400 -0.407 0.000 0.990 370 E CB 0.374 29.787 29.700 -0.479 0.000 1.036 370 E HN 0.439 nan 8.360 nan 0.000 0.475 371 E N 0.578 120.630 120.200 -0.246 0.000 2.191 371 E HA 0.485 4.835 4.350 0.000 0.000 0.274 371 E C -1.241 175.200 176.600 -0.266 0.000 0.948 371 E CA -0.755 55.598 56.400 -0.078 0.000 0.802 371 E CB 1.379 31.130 29.700 0.085 0.000 1.137 371 E HN 0.053 nan 8.360 nan 0.000 0.397 372 F N 0.904 120.918 119.950 0.107 0.000 2.563 372 F HA 0.519 5.046 4.527 0.000 0.000 0.316 372 F C -0.417 175.415 175.800 0.054 0.000 1.076 372 F CA -1.017 57.075 58.000 0.152 0.000 0.921 372 F CB 1.606 40.767 39.000 0.267 0.000 1.209 372 F HN 0.119 nan 8.300 nan 0.000 0.462 373 V N 2.830 122.858 119.914 0.190 0.000 2.656 373 V HA 0.551 4.671 4.120 0.000 0.000 0.307 373 V C -0.934 175.220 176.094 0.100 0.000 1.051 373 V CA -0.850 61.471 62.300 0.034 0.000 0.893 373 V CB 2.118 33.852 31.823 -0.148 0.000 0.999 373 V HN 0.494 nan 8.190 nan 0.000 0.426 374 V N 5.614 125.566 119.914 0.063 0.000 2.384 374 V HA 0.477 4.597 4.120 0.000 0.000 0.287 374 V C -0.314 175.796 176.094 0.027 0.000 1.020 374 V CA -0.563 61.772 62.300 0.058 0.000 0.850 374 V CB 1.637 33.491 31.823 0.052 0.000 0.987 374 V HN 0.573 nan 8.190 nan 0.000 0.436 375 I N 5.820 126.408 120.570 0.029 0.000 2.342 375 I HA 0.431 4.601 4.170 0.000 0.000 0.291 375 I C 0.022 176.147 176.117 0.013 0.000 1.010 375 I CA -0.426 60.881 61.300 0.011 0.000 1.308 375 I CB 1.261 39.264 38.000 0.005 0.000 1.400 375 I HN 0.564 nan 8.210 nan 0.000 0.488 376 M N 8.392 127.995 119.600 0.004 0.000 2.027 376 M HA 0.353 4.833 4.480 0.000 0.000 0.329 376 M C -2.427 173.872 176.300 -0.001 0.000 0.971 376 M CA -1.509 53.794 55.300 0.005 0.000 0.933 376 M CB 1.516 34.119 32.600 0.004 0.000 1.392 376 M HN 0.216 nan 8.290 nan 0.000 0.394 377 P HA 0.054 nan 4.420 nan 0.000 0.272 377 P C -0.245 177.053 177.300 -0.003 0.000 1.223 377 P CA 0.210 63.308 63.100 -0.004 0.000 0.784 377 P CB 0.465 32.163 31.700 -0.003 0.000 0.923 378 D N -0.325 120.072 120.400 -0.006 0.000 2.689 378 D HA -0.141 4.499 4.640 0.000 0.000 0.237 378 D C -1.112 175.185 176.300 -0.004 0.000 1.148 378 D CA 1.218 55.215 54.000 -0.005 0.000 0.656 378 D CB -1.530 39.268 40.800 -0.003 0.000 1.050 378 D HN 0.296 nan 8.370 nan 0.000 0.426 379 T N -0.385 114.165 114.554 -0.006 0.000 2.993 379 T HA 0.783 5.133 4.350 0.000 0.000 0.312 379 T C -0.208 174.487 174.700 -0.009 0.000 1.115 379 T CA -0.117 61.980 62.100 -0.005 0.000 1.027 379 T CB 1.839 70.706 68.868 -0.003 0.000 1.116 379 T HN 0.338 nan 8.240 nan 0.000 0.464 380 A N 1.563 124.377 122.820 -0.009 0.000 2.282 380 A HA 0.801 5.121 4.320 0.000 0.000 0.324 380 A C 1.281 178.857 177.584 -0.012 0.000 1.119 380 A CA -0.656 51.373 52.037 -0.013 0.000 0.880 380 A CB 0.419 19.411 19.000 -0.013 0.000 1.294 380 A HN 0.809 nan 8.150 nan 0.000 0.493 381 L N 0.612 121.825 121.223 -0.017 0.000 2.021 381 L HA -0.192 4.148 4.340 0.000 0.000 0.215 381 L C 2.590 179.455 176.870 -0.008 0.000 1.074 381 L CA 3.193 58.025 54.840 -0.015 0.000 0.760 381 L CB -0.847 41.199 42.059 -0.022 0.000 0.889 381 L HN 0.804 nan 8.230 nan 0.000 0.433 382 A N -1.115 121.700 122.820 -0.007 0.000 1.877 382 A HA -0.229 4.091 4.320 0.000 0.000 0.216 382 A C 2.065 179.649 177.584 0.000 0.000 1.186 382 A CA 1.925 53.961 52.037 -0.003 0.000 0.620 382 A CB -0.885 18.113 19.000 -0.003 0.000 0.822 382 A HN 0.547 nan 8.150 nan 0.000 0.443 383 D N -0.100 120.299 120.400 -0.000 0.000 2.178 383 D HA -0.026 4.614 4.640 0.000 0.000 0.201 383 D C 2.209 178.512 176.300 0.005 0.000 0.980 383 D CA 1.331 55.333 54.000 0.003 0.000 0.842 383 D CB -0.320 40.481 40.800 0.002 0.000 0.948 383 D HN 0.422 nan 8.370 nan 0.000 0.472 384 A N 0.726 123.548 122.820 0.003 0.000 1.902 384 A HA -0.122 4.198 4.320 0.000 0.000 0.217 384 A C 2.398 179.988 177.584 0.010 0.000 1.181 384 A CA 0.809 52.850 52.037 0.006 0.000 0.623 384 A CB -0.744 18.257 19.000 0.001 0.000 0.818 384 A HN 0.200 nan 8.150 nan 0.000 0.443 385 L N -1.170 120.058 121.223 0.008 0.000 2.042 385 L HA -0.224 4.116 4.340 0.000 0.000 0.210 385 L C 2.875 179.753 176.870 0.013 0.000 1.076 385 L CA 1.606 56.452 54.840 0.011 0.000 0.749 385 L CB -0.476 41.587 42.059 0.008 0.000 0.893 385 L HN 0.372 nan 8.230 nan 0.000 0.432 386 R N 0.061 120.568 120.500 0.012 0.000 2.096 386 R HA -0.185 4.155 4.340 0.000 0.000 0.240 386 R C 2.276 178.589 176.300 0.021 0.000 1.139 386 R CA 1.669 57.778 56.100 0.014 0.000 0.952 386 R CB -0.393 29.913 30.300 0.011 0.000 0.854 386 R HN 0.340 nan 8.270 nan 0.000 0.436 387 I N 0.119 120.702 120.570 0.022 0.000 2.286 387 I HA -0.251 3.919 4.170 0.000 0.000 0.248 387 I C 2.550 178.690 176.117 0.039 0.000 1.115 387 I CA 1.147 62.465 61.300 0.029 0.000 1.392 387 I CB -0.425 37.589 38.000 0.023 0.000 1.065 387 I HN 0.236 nan 8.210 nan 0.000 0.418 388 A N 0.577 123.417 122.820 0.034 0.000 1.902 388 A HA -0.256 4.064 4.320 0.000 0.000 0.217 388 A C 2.221 179.831 177.584 0.044 0.000 1.181 388 A CA 1.993 54.054 52.037 0.041 0.000 0.623 388 A CB -0.523 18.495 19.000 0.031 0.000 0.818 388 A HN 0.398 nan 8.150 nan 0.000 0.443 389 E N 0.067 120.286 120.200 0.031 0.000 2.077 389 E HA -0.199 4.151 4.350 0.000 0.000 0.193 389 E C 2.150 178.764 176.600 0.024 0.000 0.989 389 E CA 1.603 58.017 56.400 0.023 0.000 0.800 389 E CB -0.256 29.451 29.700 0.013 0.000 0.746 389 E HN 0.559 nan 8.360 nan 0.000 0.452 390 R N 0.032 120.554 120.500 0.036 0.000 2.080 390 R HA -0.121 4.219 4.340 0.000 0.000 0.236 390 R C 2.458 178.831 176.300 0.122 0.000 1.137 390 R CA 1.914 58.046 56.100 0.053 0.000 0.943 390 R CB -0.471 29.882 30.300 0.087 0.000 0.846 390 R HN 0.277 nan 8.270 nan 0.000 0.431 391 I N 0.395 121.048 120.570 0.138 0.000 2.151 391 I HA -0.347 3.823 4.170 0.000 0.000 0.243 391 I C 2.843 179.057 176.117 0.161 0.000 1.080 391 I CA 1.472 62.871 61.300 0.164 0.000 1.339 391 I CB -0.424 37.642 38.000 0.109 0.000 1.039 391 I HN 0.310 nan 8.210 nan 0.000 0.409 392 R N 0.886 121.451 120.500 0.107 0.000 2.096 392 R HA -0.209 4.131 4.340 0.000 0.000 0.240 392 R C 2.327 178.671 176.300 0.073 0.000 1.139 392 R CA 1.809 57.964 56.100 0.092 0.000 0.952 392 R CB -0.162 30.171 30.300 0.054 0.000 0.854 392 R HN 0.332 nan 8.270 nan 0.000 0.436 393 M N -0.824 118.783 119.600 0.011 0.000 2.319 393 M HA -0.124 4.356 4.480 0.000 0.000 0.265 393 M C 1.916 178.166 176.300 -0.084 0.000 1.068 393 M CA 1.064 56.331 55.300 -0.054 0.000 1.118 393 M CB -0.351 32.175 32.600 -0.123 0.000 1.395 393 M HN 0.243 nan 8.290 nan 0.000 0.435 394 H N -0.214 118.884 119.070 0.047 0.000 2.387 394 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 394 H C 2.400 177.774 175.328 0.077 0.000 1.090 394 H CA 2.012 58.081 56.048 0.035 0.000 1.332 394 H CB -0.370 29.395 29.762 0.005 0.000 1.386 394 H HN 0.406 nan 8.280 nan 0.000 0.516 395 V N 0.072 120.138 119.914 0.254 0.000 2.346 395 V HA -0.122 3.998 4.120 0.000 0.000 0.244 395 V C 2.436 178.712 176.094 0.302 0.000 1.037 395 V CA 2.068 64.578 62.300 0.350 0.000 1.029 395 V CB -0.546 31.533 31.823 0.427 0.000 0.663 395 V HN 0.420 nan 8.190 nan 0.000 0.454 396 S N 0.610 116.417 115.700 0.178 0.000 2.470 396 S HA 0.165 4.635 4.470 0.000 0.000 0.225 396 S C 2.012 176.670 174.600 0.097 0.000 1.006 396 S CA 0.816 59.096 58.200 0.133 0.000 0.934 396 S CB -0.602 62.647 63.200 0.083 0.000 0.778 396 S HN 0.864 nan 8.310 nan 0.000 0.517 397 G N 0.297 109.137 108.800 0.066 0.000 2.625 397 G HA2 0.223 4.183 3.960 0.000 0.000 0.214 397 G HA3 0.223 4.183 3.960 0.000 0.000 0.214 397 G C 0.267 175.193 174.900 0.043 0.000 1.132 397 G CA 0.552 45.670 45.100 0.029 0.000 0.782 397 G HN 0.592 nan 8.290 nan 0.000 0.538 398 S N 0.025 115.769 115.700 0.075 0.000 2.566 398 S HA 0.562 5.032 4.470 0.000 0.000 0.273 398 S C -2.908 171.755 174.600 0.104 0.000 1.157 398 S CA -1.096 57.136 58.200 0.053 0.000 0.938 398 S CB 2.378 65.583 63.200 0.009 0.000 1.087 398 S HN -0.033 nan 8.310 nan 0.000 0.474 399 P HA 0.386 nan 4.420 nan 0.000 0.276 399 P C -1.031 176.370 177.300 0.168 0.000 1.252 399 P CA -0.414 62.795 63.100 0.181 0.000 0.802 399 P CB 0.359 32.118 31.700 0.098 0.000 1.035 400 F N -0.513 119.434 119.950 -0.005 0.000 2.404 400 F HA 0.217 4.744 4.527 0.000 0.000 0.339 400 F C 1.435 177.215 175.800 -0.034 0.000 1.105 400 F CA -0.361 57.636 58.000 -0.006 0.000 1.087 400 F CB 1.169 40.170 39.000 0.003 0.000 1.143 400 F HN 0.086 nan 8.300 nan 0.000 0.491 401 T N 3.032 117.631 114.554 0.075 0.000 2.918 401 T HA 0.474 4.824 4.350 0.000 0.000 0.302 401 T C -0.428 174.296 174.700 0.040 0.000 1.045 401 T CA -0.129 61.991 62.100 0.034 0.000 1.114 401 T CB 1.022 69.896 68.868 0.009 0.000 0.965 401 T HN 0.351 nan 8.240 nan 0.000 0.540 402 V N 1.166 121.070 119.914 -0.018 0.000 3.264 402 V HA 0.624 4.744 4.120 0.000 0.000 0.294 402 V C -0.523 175.499 176.094 -0.120 0.000 1.429 402 V CA -0.410 61.847 62.300 -0.072 0.000 1.053 402 V CB 1.831 33.571 31.823 -0.138 0.000 1.128 402 V HN 1.214 nan 8.190 nan 0.000 0.452 403 A N 2.804 125.502 122.820 -0.203 0.000 2.667 403 A HA -0.156 4.164 4.320 0.000 0.000 0.298 403 A C 0.227 177.606 177.584 -0.341 0.000 1.483 403 A CA 1.280 53.128 52.037 -0.315 0.000 0.738 403 A CB -2.387 16.515 19.000 -0.163 0.000 1.067 403 A HN 2.473 nan 8.150 nan 0.000 0.451 404 H N -2.869 116.210 119.070 0.014 0.000 1.779 404 H HA 0.092 4.648 4.556 -0.000 0.000 0.310 404 H C 2.028 177.361 175.328 0.007 0.000 0.785 404 H CA 1.529 57.585 56.048 0.013 0.000 1.035 404 H CB -1.393 28.379 29.762 0.016 0.000 1.505 404 H HN 2.314 nan 8.280 nan 0.000 0.260 405 G N 1.279 110.122 108.800 0.071 0.000 2.299 405 G HA2 -0.423 3.537 3.960 0.000 0.000 0.237 405 G HA3 -0.423 3.537 3.960 0.000 0.000 0.237 405 G C 1.500 176.414 174.900 0.023 0.000 1.027 405 G CA 0.381 45.509 45.100 0.046 0.000 0.619 405 G HN 0.635 nan 8.290 nan 0.000 0.513 406 R N 0.631 121.141 120.500 0.015 0.000 2.090 406 R HA 0.299 4.639 4.340 0.000 0.000 0.228 406 R C 1.091 177.383 176.300 -0.013 0.000 1.110 406 R CA 1.323 57.427 56.100 0.006 0.000 0.973 406 R CB 0.124 30.430 30.300 0.010 0.000 0.869 406 R HN 0.522 nan 8.270 nan 0.000 0.440 407 E N -0.099 120.077 120.200 -0.041 0.000 2.317 407 E HA 0.376 4.726 4.350 0.000 0.000 0.270 407 E C -1.257 175.297 176.600 -0.077 0.000 0.885 407 E CA -0.444 55.917 56.400 -0.066 0.000 0.760 407 E CB 1.641 31.274 29.700 -0.111 0.000 1.227 407 E HN -0.087 nan 8.360 nan 0.000 0.434 408 M N 3.502 123.062 119.600 -0.066 0.000 2.311 408 M HA 0.435 4.915 4.480 0.000 0.000 0.325 408 M C -1.330 174.932 176.300 -0.063 0.000 1.061 408 M CA -0.962 54.316 55.300 -0.037 0.000 0.957 408 M CB 1.534 34.132 32.600 -0.003 0.000 1.646 408 M HN 0.349 nan 8.290 nan 0.000 0.434 409 L N 3.375 124.579 121.223 -0.032 0.000 2.362 409 L HA 0.547 4.887 4.340 0.000 0.000 0.271 409 L C -0.826 176.065 176.870 0.035 0.000 1.002 409 L CA -0.306 54.491 54.840 -0.072 0.000 0.818 409 L CB 1.928 43.870 42.059 -0.195 0.000 1.298 409 L HN 0.588 nan 8.230 nan 0.000 0.420 410 N N 2.811 121.519 118.700 0.013 0.000 2.438 410 N HA 0.568 5.308 4.740 0.000 0.000 0.282 410 N C -1.297 174.201 175.510 -0.020 0.000 1.037 410 N CA -0.254 52.824 53.050 0.047 0.000 0.942 410 N CB 2.242 40.756 38.487 0.046 0.000 1.136 410 N HN 0.271 nan 8.380 nan 0.000 0.481 411 V N 0.736 120.623 119.914 -0.044 0.000 2.760 411 V HA 0.539 4.659 4.120 0.000 0.000 0.309 411 V C 0.136 176.210 176.094 -0.034 0.000 1.077 411 V CA -0.767 61.438 62.300 -0.159 0.000 0.910 411 V CB 2.030 33.480 31.823 -0.621 0.000 1.008 411 V HN 0.837 nan 8.190 nan 0.000 0.424 412 T N 2.346 116.893 114.554 -0.011 0.000 2.906 412 T HA 0.870 5.220 4.350 0.000 0.000 0.295 412 T C -0.735 173.937 174.700 -0.048 0.000 1.061 412 T CA -0.655 61.452 62.100 0.011 0.000 1.000 412 T CB 1.885 70.784 68.868 0.052 0.000 1.103 412 T HN 0.781 nan 8.240 nan 0.000 0.486 413 I N -0.732 119.813 120.570 -0.041 0.000 2.846 413 I HA 0.842 5.012 4.170 0.000 0.000 0.307 413 I C -0.621 175.467 176.117 -0.049 0.000 1.053 413 I CA -1.062 60.190 61.300 -0.080 0.000 1.050 413 I CB 2.439 40.385 38.000 -0.091 0.000 1.239 413 I HN 0.574 nan 8.210 nan 0.000 0.439 414 S N 4.183 119.846 115.700 -0.062 0.000 2.503 414 S HA 0.734 5.204 4.470 0.000 0.000 0.301 414 S C -0.472 174.119 174.600 -0.014 0.000 1.087 414 S CA -0.578 57.596 58.200 -0.042 0.000 1.042 414 S CB 1.575 64.731 63.200 -0.073 0.000 1.043 414 S HN 0.467 nan 8.310 nan 0.000 0.489 415 I N 1.624 122.195 120.570 0.003 0.000 2.533 415 I HA 0.549 4.719 4.170 0.000 0.000 0.290 415 I C 0.359 176.484 176.117 0.014 0.000 1.056 415 I CA -0.783 60.528 61.300 0.018 0.000 1.057 415 I CB 2.141 40.161 38.000 0.034 0.000 1.240 415 I HN 0.722 nan 8.210 nan 0.000 0.423 416 G N 4.863 113.671 108.800 0.012 0.000 2.388 416 G HA2 0.671 4.631 3.960 0.000 0.000 0.330 416 G HA3 0.671 4.631 3.960 0.000 0.000 0.330 416 G C -0.924 173.979 174.900 0.004 0.000 1.142 416 G CA -0.387 44.720 45.100 0.011 0.000 0.908 416 G HN 0.337 nan 8.290 nan 0.000 0.473 417 V N 0.490 120.407 119.914 0.005 0.000 2.823 417 V HA 0.836 4.956 4.120 0.000 0.000 0.312 417 V C -0.003 176.088 176.094 -0.005 0.000 1.072 417 V CA -0.738 61.562 62.300 -0.000 0.000 0.937 417 V CB 1.937 33.763 31.823 0.005 0.000 1.013 417 V HN 0.830 nan 8.190 nan 0.000 0.430 418 S N 1.152 116.845 115.700 -0.013 0.000 2.537 418 S HA 0.900 5.370 4.470 0.000 0.000 0.271 418 S C -1.137 173.449 174.600 -0.023 0.000 1.148 418 S CA 0.180 58.368 58.200 -0.020 0.000 0.868 418 S CB 1.835 65.020 63.200 -0.024 0.000 1.115 418 S HN 1.456 nan 8.310 nan 0.000 0.461 419 A N 1.723 124.525 122.820 -0.030 0.000 2.572 419 A HA 0.786 5.106 4.320 0.000 0.000 0.295 419 A C -0.118 177.444 177.584 -0.037 0.000 1.072 419 A CA -0.524 51.495 52.037 -0.031 0.000 0.691 419 A CB 0.969 19.952 19.000 -0.029 0.000 1.291 419 A HN 1.079 nan 8.150 nan 0.000 0.404 420 T N -0.457 114.079 114.554 -0.031 0.000 2.932 420 T HA 0.544 4.894 4.350 0.000 0.000 0.312 420 T C 0.162 174.839 174.700 -0.038 0.000 1.071 420 T CA 0.364 62.446 62.100 -0.031 0.000 1.128 420 T CB 0.982 69.837 68.868 -0.023 0.000 0.984 420 T HN 2.199 nan 8.240 nan 0.000 0.549 421 A N 1.542 124.338 122.820 -0.040 0.000 2.550 421 A HA 0.762 5.082 4.320 0.000 0.000 0.282 421 A C 0.449 178.017 177.584 -0.026 0.000 1.071 421 A CA -0.108 51.899 52.037 -0.050 0.000 0.838 421 A CB 0.422 19.365 19.000 -0.095 0.000 1.361 421 A HN 2.323 nan 8.150 nan 0.000 0.408 422 G N 1.627 110.421 108.800 -0.010 0.000 2.781 422 G HA2 -0.112 3.848 3.960 0.000 0.000 0.683 422 G HA3 -0.112 3.848 3.960 0.000 0.000 0.683 422 G C 0.290 175.200 174.900 0.017 0.000 1.390 422 G CA 0.222 45.331 45.100 0.015 0.000 0.850 422 G HN 0.828 nan 8.290 nan 0.000 0.557 423 E N 0.181 120.393 120.200 0.021 0.000 2.150 423 E HA 0.002 4.352 4.350 0.000 0.000 0.193 423 E C 2.499 179.109 176.600 0.018 0.000 0.985 423 E CA 1.032 57.440 56.400 0.015 0.000 0.814 423 E CB -0.123 29.585 29.700 0.013 0.000 0.752 423 E HN 0.804 nan 8.360 nan 0.000 0.466 424 G N 0.657 109.475 108.800 0.031 0.000 2.920 424 G HA2 -0.097 3.863 3.960 0.000 0.000 0.208 424 G HA3 -0.097 3.863 3.960 0.000 0.000 0.208 424 G C 0.196 175.116 174.900 0.033 0.000 1.159 424 G CA -0.227 44.893 45.100 0.033 0.000 0.784 424 G HN 0.045 nan 8.290 nan 0.000 0.535 425 D N 0.677 121.092 120.400 0.024 0.000 2.358 425 D HA 0.484 5.124 4.640 0.000 0.000 0.244 425 D C 0.557 176.861 176.300 0.006 0.000 1.163 425 D CA 0.321 54.329 54.000 0.013 0.000 0.945 425 D CB 1.332 42.132 40.800 -0.000 0.000 1.152 425 D HN 0.175 nan 8.370 nan 0.000 0.451 426 T N -1.640 112.915 114.554 0.003 0.000 2.894 426 T HA 0.449 4.799 4.350 0.000 0.000 0.309 426 T C -2.298 172.401 174.700 -0.002 0.000 1.208 426 T CA -1.305 60.796 62.100 0.001 0.000 1.016 426 T CB 2.002 70.873 68.868 0.005 0.000 1.192 426 T HN 0.054 nan 8.240 nan 0.000 0.491 427 P HA -0.138 nan 4.420 nan 0.000 0.215 427 P C 1.245 178.549 177.300 0.007 0.000 1.153 427 P CA 1.655 64.754 63.100 -0.002 0.000 0.853 427 P CB 0.042 31.741 31.700 -0.002 0.000 0.788 428 E N 0.642 120.849 120.200 0.012 0.000 2.110 428 E HA -0.128 4.222 4.350 0.000 0.000 0.193 428 E C 2.077 178.685 176.600 0.014 0.000 0.988 428 E CA 1.384 57.796 56.400 0.020 0.000 0.804 428 E CB -1.370 28.342 29.700 0.020 0.000 0.745 428 E HN 0.130 nan 8.360 nan 0.000 0.458 429 A N 1.138 123.963 122.820 0.007 0.000 1.902 429 A HA -0.112 4.208 4.320 0.000 0.000 0.217 429 A C 2.244 179.826 177.584 -0.004 0.000 1.181 429 A CA 1.479 53.518 52.037 0.003 0.000 0.623 429 A CB -0.750 18.251 19.000 0.003 0.000 0.818 429 A HN 0.337 nan 8.150 nan 0.000 0.443 430 L N -0.315 120.903 121.223 -0.008 0.000 2.017 430 L HA -0.088 4.252 4.340 0.000 0.000 0.208 430 L C 2.297 179.156 176.870 -0.019 0.000 1.073 430 L CA 1.724 56.554 54.840 -0.017 0.000 0.745 430 L CB -0.465 41.582 42.059 -0.019 0.000 0.894 430 L HN 0.394 nan 8.230 nan 0.000 0.432 431 L N -0.594 120.620 121.223 -0.015 0.000 2.093 431 L HA -0.221 4.119 4.340 0.000 0.000 0.208 431 L C 2.627 179.491 176.870 -0.009 0.000 1.085 431 L CA 1.469 56.293 54.840 -0.026 0.000 0.755 431 L CB -0.521 41.535 42.059 -0.004 0.000 0.904 431 L HN 0.318 nan 8.230 nan 0.000 0.435 432 K N 0.179 120.583 120.400 0.005 0.000 2.097 432 K HA -0.186 4.134 4.320 0.000 0.000 0.206 432 K C 2.261 178.862 176.600 0.002 0.000 1.049 432 K CA 1.158 57.450 56.287 0.009 0.000 0.933 432 K CB 0.095 32.600 32.500 0.009 0.000 0.717 432 K HN 0.093 nan 8.250 nan 0.000 0.442 433 R N -0.157 120.342 120.500 -0.002 0.000 2.096 433 R HA -0.065 4.276 4.340 0.000 0.000 0.235 433 R C 2.200 178.501 176.300 0.002 0.000 1.127 433 R CA 1.359 57.459 56.100 0.001 0.000 0.968 433 R CB -0.249 30.048 30.300 -0.005 0.000 0.861 433 R HN 0.239 nan 8.270 nan 0.000 0.440 434 A N 1.011 123.825 122.820 -0.010 0.000 1.902 434 A HA -0.200 4.120 4.320 0.000 0.000 0.217 434 A C 1.574 179.159 177.584 0.001 0.000 1.181 434 A CA 1.794 53.822 52.037 -0.015 0.000 0.623 434 A CB -0.429 18.542 19.000 -0.047 0.000 0.818 434 A HN 0.232 nan 8.150 nan 0.000 0.443 435 D N -0.337 120.067 120.400 0.007 0.000 2.123 435 D HA -0.139 4.501 4.640 0.000 0.000 0.196 435 D C 1.816 178.152 176.300 0.060 0.000 0.992 435 D CA 1.229 55.250 54.000 0.035 0.000 0.833 435 D CB -0.235 40.588 40.800 0.038 0.000 0.954 435 D HN 0.395 nan 8.370 nan 0.000 0.455 436 E N 0.569 120.790 120.200 0.035 0.000 2.118 436 E HA -0.126 4.224 4.350 0.000 0.000 0.195 436 E C 2.145 178.798 176.600 0.088 0.000 0.992 436 E CA 0.791 57.217 56.400 0.043 0.000 0.804 436 E CB -0.487 29.218 29.700 0.008 0.000 0.741 436 E HN 0.323 nan 8.360 nan 0.000 0.458 437 G N 1.191 110.026 108.800 0.059 0.000 2.511 437 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 437 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 437 G C 1.847 176.785 174.900 0.063 0.000 1.218 437 G CA 1.454 46.586 45.100 0.053 0.000 0.788 437 G HN 0.211 nan 8.290 nan 0.000 0.560 438 V N 0.111 120.059 119.914 0.056 0.000 2.278 438 V HA -0.315 3.805 4.120 0.000 0.000 0.251 438 V C 2.334 178.465 176.094 0.060 0.000 1.062 438 V CA 2.265 64.591 62.300 0.043 0.000 1.038 438 V CB -0.878 30.970 31.823 0.042 0.000 0.646 438 V HN 0.510 nan 8.190 nan 0.000 0.447 439 Y N 0.392 120.683 120.300 -0.015 0.000 2.165 439 Y HA -0.312 4.238 4.550 -0.000 0.000 0.286 439 Y C 2.808 178.698 175.900 -0.016 0.000 1.155 439 Y CA 2.383 60.474 58.100 -0.015 0.000 1.164 439 Y CB -0.158 38.297 38.460 -0.008 0.000 0.978 439 Y HN 0.262 nan 8.280 nan 0.000 0.513 440 Q N -0.111 119.796 119.800 0.179 0.000 2.050 440 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 440 Q C 2.457 178.443 176.000 -0.023 0.000 0.980 440 Q CA 1.611 57.460 55.803 0.076 0.000 0.840 440 Q CB -0.417 28.377 28.738 0.093 0.000 0.898 440 Q HN 0.605 nan 8.270 nan 0.000 0.424 441 A N 1.257 124.068 122.820 -0.015 0.000 1.903 441 A HA -0.297 4.023 4.320 0.000 0.000 0.219 441 A C 1.958 179.493 177.584 -0.081 0.000 1.191 441 A CA 2.104 54.119 52.037 -0.037 0.000 0.638 441 A CB -0.566 18.419 19.000 -0.027 0.000 0.823 441 A HN 0.347 nan 8.150 nan 0.000 0.451 442 K N -0.661 119.662 120.400 -0.128 0.000 2.057 442 K HA -0.030 4.290 4.320 0.000 0.000 0.206 442 K C 2.354 178.838 176.600 -0.194 0.000 1.050 442 K CA 1.075 57.252 56.287 -0.183 0.000 0.935 442 K CB -0.370 31.994 32.500 -0.226 0.000 0.715 442 K HN 0.453 nan 8.250 nan 0.000 0.439 443 A N 1.759 124.430 122.820 -0.248 0.000 1.940 443 A HA -0.184 4.136 4.320 0.000 0.000 0.219 443 A C 2.178 179.705 177.584 -0.095 0.000 1.176 443 A CA 2.162 54.080 52.037 -0.199 0.000 0.631 443 A CB -0.656 18.210 19.000 -0.223 0.000 0.814 443 A HN 0.412 nan 8.150 nan 0.000 0.446 444 S N -1.756 113.901 115.700 -0.071 0.000 2.515 444 S HA 0.318 4.788 4.470 0.000 0.000 0.231 444 S C 1.276 175.860 174.600 -0.027 0.000 0.987 444 S CA 1.332 59.511 58.200 -0.035 0.000 0.936 444 S CB -0.250 62.937 63.200 -0.022 0.000 0.766 444 S HN 1.919 nan 8.310 nan 0.000 0.528 445 G N 0.651 109.428 108.800 -0.039 0.000 2.155 445 G HA2 -0.077 3.883 3.960 0.000 0.000 0.130 445 G HA3 -0.077 3.883 3.960 0.000 0.000 0.130 445 G C 0.112 175.004 174.900 -0.013 0.000 1.027 445 G CA -0.341 44.752 45.100 -0.013 0.000 0.705 445 G HN 0.610 nan 8.290 nan 0.000 0.496 446 R N -1.665 118.800 120.500 -0.058 0.000 3.777 446 R HA -0.211 4.129 4.340 0.000 0.000 0.525 446 R C 0.591 176.875 176.300 -0.028 0.000 0.241 446 R CA 0.594 56.646 56.100 -0.079 0.000 1.635 446 R CB -0.979 29.233 30.300 -0.146 0.000 1.033 446 R HN 1.378 nan 8.270 nan 0.000 0.552 447 N N -0.372 118.311 118.700 -0.027 0.000 2.688 447 N HA -0.213 4.527 4.740 0.000 0.000 0.258 447 N C -1.697 173.813 175.510 0.001 0.000 1.016 447 N CA 1.528 54.579 53.050 0.001 0.000 0.747 447 N CB -0.660 37.844 38.487 0.028 0.000 0.895 447 N HN 0.834 nan 8.380 nan 0.000 0.543 448 A N -0.750 122.065 122.820 -0.008 0.000 2.606 448 A HA 0.745 5.065 4.320 0.000 0.000 0.293 448 A C -0.861 176.723 177.584 0.000 0.000 1.082 448 A CA -0.401 51.634 52.037 -0.004 0.000 0.685 448 A CB 1.892 20.886 19.000 -0.010 0.000 1.284 448 A HN 0.256 nan 8.150 nan 0.000 0.408 449 V N 0.838 120.756 119.914 0.006 0.000 2.495 449 V HA 0.649 4.769 4.120 0.000 0.000 0.298 449 V C -0.713 175.387 176.094 0.011 0.000 1.031 449 V CA -0.473 61.834 62.300 0.011 0.000 0.871 449 V CB 1.532 33.364 31.823 0.015 0.000 0.988 449 V HN 0.734 nan 8.190 nan 0.000 0.432 450 V N 3.566 123.488 119.914 0.013 0.000 2.524 450 V HA 0.691 4.811 4.120 0.000 0.000 0.297 450 V C 0.508 176.614 176.094 0.020 0.000 1.035 450 V CA -0.387 61.923 62.300 0.018 0.000 0.867 450 V CB 1.835 33.671 31.823 0.022 0.000 1.004 450 V HN 0.959 nan 8.190 nan 0.000 0.426 451 G N 2.730 111.541 108.800 0.019 0.000 2.451 451 G HA2 0.659 4.619 3.960 0.000 0.000 0.303 451 G HA3 0.659 4.619 3.960 0.000 0.000 0.303 451 G C -0.831 174.083 174.900 0.024 0.000 1.166 451 G CA -0.520 44.590 45.100 0.016 0.000 0.884 451 G HN 0.551 nan 8.290 nan 0.000 0.514 452 K N 0.138 120.551 120.400 0.021 0.000 2.640 452 K HA 0.585 4.905 4.320 0.000 0.000 0.245 452 K C -0.039 176.569 176.600 0.015 0.000 0.962 452 K CA -0.312 55.996 56.287 0.036 0.000 0.896 452 K CB 1.423 33.942 32.500 0.033 0.000 1.147 452 K HN 0.717 nan 8.250 nan 0.000 0.445 453 A N 2.287 125.119 122.820 0.021 0.000 2.322 453 A HA 0.749 5.069 4.320 0.000 0.000 0.269 453 A C -0.187 177.280 177.584 -0.194 0.000 1.094 453 A CA -0.239 51.734 52.037 -0.107 0.000 0.807 453 A CB 0.577 19.471 19.000 -0.176 0.000 1.047 453 A HN 0.781 nan 8.150 nan 0.000 0.487 454 A N 0.955 123.598 122.820 -0.295 0.000 2.351 454 A HA 0.600 4.920 4.320 0.000 0.000 0.257 454 A C -0.267 176.941 177.584 -0.627 0.000 1.087 454 A CA -0.022 51.833 52.037 -0.304 0.000 0.798 454 A CB -0.036 18.814 19.000 -0.250 0.000 1.033 454 A HN 0.976 nan 8.150 nan 0.000 0.488 455 H N -0.749 118.154 119.070 -0.279 0.000 2.930 455 H HA 0.535 5.091 4.556 0.000 0.000 0.371 455 H C -1.085 174.026 175.328 -0.362 0.000 1.169 455 H CA -0.381 55.495 56.048 -0.287 0.000 1.157 455 H CB 1.585 31.283 29.762 -0.106 0.000 1.789 455 H HN 0.867 nan 8.280 nan 0.000 0.547 456 H N -0.132 118.947 119.070 0.014 0.000 2.573 456 H HA 0.303 4.859 4.556 -0.000 0.000 0.351 456 H C -0.306 175.079 175.328 0.096 0.000 1.163 456 H CA -0.891 55.103 56.048 -0.090 0.000 1.205 456 H CB 1.189 30.716 29.762 -0.392 0.000 1.605 456 H HN 0.589 nan 8.280 nan 0.000 0.525 457 H N 0.408 119.610 119.070 0.221 0.000 2.690 457 H HA -0.023 4.533 4.556 -0.000 0.000 0.365 457 H C 0.790 176.253 175.328 0.225 0.000 1.142 457 H CA -0.193 55.950 56.048 0.159 0.000 1.417 457 H CB 0.960 30.816 29.762 0.156 0.000 1.446 457 H HN 0.769 nan 8.280 nan 0.000 0.599 458 H N 0.701 119.879 119.070 0.180 0.000 2.437 458 H HA -0.163 4.393 4.556 0.000 0.000 0.296 458 H C 0.300 175.480 175.328 -0.247 0.000 1.121 458 H CA 0.917 56.938 56.048 -0.046 0.000 1.255 458 H CB 0.254 29.957 29.762 -0.098 0.000 1.366 458 H HN 0.599 nan 8.280 nan 0.000 0.512 459 H N -0.549 118.706 119.070 0.308 0.000 2.587 459 H HA 0.058 4.614 4.556 0.000 0.000 0.245 459 H C 0.064 175.467 175.328 0.126 0.000 1.238 459 H CA -0.167 55.988 56.048 0.179 0.000 0.963 459 H CB -0.227 29.604 29.762 0.115 0.000 1.904 459 H HN 0.608 nan 8.280 nan 0.000 0.584 460 H N 0.000 119.164 119.070 0.157 0.000 2.539 460 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 460 H CA 0.000 56.096 56.048 0.081 0.000 1.023 460 H CB 0.000 29.752 29.762 -0.017 0.000 1.292 460 H HN 0.000 nan 8.280 nan 0.000 0.496