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 3p9k_1_D DATA FIRST_RESID 10 DATA SEQUENCE ASADEDACMF ALQLASSSVL PMTLKNAIEL GLLEILVAAG GKSLTPTEVA DATA SEQUENCE AKLPSAANPE APDMVDRILR LLASYNVVTC LVEEGKDGRL SRSYGAAPVC DATA SEQUENCE KFLTPNEDGV SMAALALMNQ DKVLMESWYY LKDAVLDGGI PFNKAYGMSA DATA SEQUENCE FEYHGTDPRF NRVFNEGMKN HSIIITKKLL ELYHGFEGLG TLVDVGGGVG DATA SEQUENCE ATVAAIAAHY PTIKGVNFDL PHVISEAPQF PGVTHVGGDM FKEVPSGDTI DATA SEQUENCE LMKWILHDWS DQHCATLLKN CYDALPAHGK VVLVQCILPV NPEANPSSQG DATA SEQUENCE VFHVDMIMLA HNPGGRERYE REFQALARGA GFTGVKSTYI YANAWAIEFT DATA SEQUENCE K 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.591 177.584 0.012 0.000 1.274 10 A CA 0.000 52.043 52.037 0.011 0.000 0.836 10 A CB 0.000 19.006 19.000 0.011 0.000 0.831 11 S N 0.139 115.844 115.700 0.010 0.000 2.383 11 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 11 S C 2.038 176.645 174.600 0.012 0.000 1.030 11 S CA 2.907 61.112 58.200 0.009 0.000 1.002 11 S CB -0.418 62.785 63.200 0.005 0.000 0.829 11 S HN 1.879 nan 8.310 nan 0.000 0.467 12 A N 0.789 123.616 122.820 0.012 0.000 1.873 12 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 12 A C 1.908 179.507 177.584 0.025 0.000 1.186 12 A CA 1.916 53.962 52.037 0.015 0.000 0.616 12 A CB -1.037 17.971 19.000 0.013 0.000 0.823 12 A HN 0.545 nan 8.150 nan 0.000 0.442 13 D N -0.962 119.452 120.400 0.024 0.000 2.144 13 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 13 D C 1.971 178.292 176.300 0.035 0.000 0.978 13 D CA 1.430 55.448 54.000 0.030 0.000 0.833 13 D CB -0.094 40.720 40.800 0.022 0.000 0.961 13 D HN 0.710 nan 8.370 nan 0.000 0.470 14 E N 0.306 120.524 120.200 0.029 0.000 2.072 14 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 14 E C 1.168 177.794 176.600 0.044 0.000 0.985 14 E CA 1.301 57.720 56.400 0.031 0.000 0.801 14 E CB 0.090 29.803 29.700 0.022 0.000 0.750 14 E HN 0.117 nan 8.360 nan 0.000 0.452 15 D N 0.278 120.702 120.400 0.039 0.000 2.123 15 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 15 D C 1.812 178.169 176.300 0.095 0.000 0.992 15 D CA 1.600 55.627 54.000 0.045 0.000 0.833 15 D CB -0.280 40.529 40.800 0.015 0.000 0.954 15 D HN 0.349 nan 8.370 nan 0.000 0.455 16 A N -0.121 122.758 122.820 0.099 0.000 1.930 16 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 16 A C 2.375 180.049 177.584 0.149 0.000 1.175 16 A CA 1.323 53.455 52.037 0.159 0.000 0.627 16 A CB -1.072 17.995 19.000 0.112 0.000 0.815 16 A HN 0.446 nan 8.150 nan 0.000 0.443 17 C N -0.504 118.850 119.300 0.091 0.000 2.440 17 C HA -0.021 4.439 4.460 -0.000 0.000 0.278 17 C C 2.799 177.834 174.990 0.076 0.000 1.295 17 C CA 1.364 60.420 59.018 0.063 0.000 1.738 17 C CB -1.221 26.543 27.740 0.041 0.000 1.987 17 C HN 0.631 nan 8.230 nan 0.000 0.492 18 M N -0.750 118.908 119.600 0.097 0.000 2.229 18 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 18 M C 2.027 178.434 176.300 0.178 0.000 1.063 18 M CA 1.460 56.822 55.300 0.103 0.000 1.114 18 M CB -0.749 31.901 32.600 0.083 0.000 1.387 18 M HN 0.410 nan 8.290 nan 0.000 0.420 19 F N 1.802 121.761 119.950 0.016 0.000 2.134 19 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 19 F C 2.416 178.228 175.800 0.020 0.000 1.097 19 F CA 1.187 59.200 58.000 0.022 0.000 1.264 19 F CB -0.730 38.282 39.000 0.021 0.000 1.001 19 F HN 0.051 nan 8.300 nan 0.000 0.479 20 A N 0.489 123.300 122.820 -0.015 0.000 1.933 20 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 20 A C 2.396 179.928 177.584 -0.086 0.000 1.175 20 A CA 1.721 53.675 52.037 -0.138 0.000 0.628 20 A CB -1.133 17.831 19.000 -0.061 0.000 0.814 20 A HN 0.463 nan 8.150 nan 0.000 0.444 21 L N -0.970 120.247 121.223 -0.011 0.000 2.093 21 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 21 L C 2.883 179.760 176.870 0.011 0.000 1.085 21 L CA 1.695 56.536 54.840 0.002 0.000 0.755 21 L CB -0.432 41.642 42.059 0.025 0.000 0.904 21 L HN 0.603 nan 8.230 nan 0.000 0.435 22 Q N 0.398 120.226 119.800 0.047 0.000 2.124 22 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 22 Q C 2.315 178.331 176.000 0.027 0.000 0.977 22 Q CA 1.402 57.256 55.803 0.086 0.000 0.850 22 Q CB 0.006 28.860 28.738 0.194 0.000 0.901 22 Q HN 0.522 nan 8.270 nan 0.000 0.429 23 L N 0.096 121.269 121.223 -0.083 0.000 2.093 23 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 23 L C 2.412 179.220 176.870 -0.102 0.000 1.085 23 L CA 0.770 55.520 54.840 -0.150 0.000 0.755 23 L CB -0.465 41.395 42.059 -0.331 0.000 0.904 23 L HN 0.258 nan 8.230 nan 0.000 0.435 24 A N -0.502 122.270 122.820 -0.081 0.000 2.216 24 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 24 A C 1.683 179.244 177.584 -0.039 0.000 1.160 24 A CA 1.456 53.458 52.037 -0.060 0.000 0.725 24 A CB -0.329 18.644 19.000 -0.046 0.000 0.784 24 A HN 0.489 nan 8.150 nan 0.000 0.472 25 S N -1.419 114.266 115.700 -0.025 0.000 2.977 25 S HA 0.134 4.604 4.470 -0.000 0.000 0.250 25 S C 0.735 175.331 174.600 -0.007 0.000 1.005 25 S CA 0.367 58.561 58.200 -0.010 0.000 1.081 25 S CB -0.471 62.735 63.200 0.010 0.000 1.018 25 S HN 0.576 nan 8.310 nan 0.000 0.539 26 S N 1.452 117.134 115.700 -0.031 0.000 2.603 26 S HA -0.059 4.411 4.470 -0.000 0.000 0.229 26 S C 1.706 176.260 174.600 -0.077 0.000 0.972 26 S CA 0.567 58.743 58.200 -0.039 0.000 0.935 26 S CB -0.673 62.493 63.200 -0.056 0.000 0.769 26 S HN 0.764 nan 8.310 nan 0.000 0.536 27 S N 0.819 116.475 115.700 -0.073 0.000 2.522 27 S HA 0.078 4.548 4.470 -0.000 0.000 0.227 27 S C 1.580 176.149 174.600 -0.053 0.000 0.986 27 S CA 0.378 58.528 58.200 -0.083 0.000 0.929 27 S CB -0.639 62.517 63.200 -0.073 0.000 0.769 27 S HN 0.343 nan 8.310 nan 0.000 0.529 28 V N 1.730 121.628 119.914 -0.027 0.000 2.343 28 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 28 V C 2.431 178.513 176.094 -0.020 0.000 1.051 28 V CA 1.764 64.062 62.300 -0.002 0.000 1.036 28 V CB -0.858 30.988 31.823 0.037 0.000 0.654 28 V HN 0.497 nan 8.190 nan 0.000 0.451 29 L N 1.864 123.042 121.223 -0.075 0.000 1.955 29 L HA -0.067 4.273 4.340 -0.000 0.000 0.213 29 L C 0.225 177.035 176.870 -0.101 0.000 1.072 29 L CA 2.645 57.391 54.840 -0.156 0.000 0.755 29 L CB -1.974 39.831 42.059 -0.424 0.000 0.888 29 L HN 0.257 nan 8.230 nan 0.000 0.432 30 P HA -0.193 nan 4.420 nan 0.000 0.215 30 P C 1.749 179.036 177.300 -0.022 0.000 1.153 30 P CA 1.749 64.815 63.100 -0.057 0.000 0.853 30 P CB -0.235 31.420 31.700 -0.074 0.000 0.788 31 M N -0.889 118.699 119.600 -0.021 0.000 2.254 31 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 31 M C 2.030 178.335 176.300 0.009 0.000 1.066 31 M CA 1.469 56.770 55.300 0.002 0.000 1.123 31 M CB -2.242 30.360 32.600 0.004 0.000 1.388 31 M HN -0.062 nan 8.290 nan 0.000 0.425 32 T N 1.393 115.949 114.554 0.003 0.000 2.770 32 T HA -0.061 4.289 4.350 -0.000 0.000 0.263 32 T C 1.874 176.580 174.700 0.010 0.000 1.039 32 T CA 0.920 63.026 62.100 0.009 0.000 1.142 32 T CB -0.318 68.559 68.868 0.016 0.000 0.868 32 T HN 0.253 nan 8.240 nan 0.000 0.435 33 L N 1.610 122.837 121.223 0.006 0.000 2.079 33 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 33 L C 2.297 179.181 176.870 0.024 0.000 1.081 33 L CA 1.829 56.677 54.840 0.014 0.000 0.752 33 L CB -0.487 41.578 42.059 0.010 0.000 0.896 33 L HN 0.073 nan 8.230 nan 0.000 0.433 34 K N -0.751 119.665 120.400 0.027 0.000 2.057 34 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 34 K C 1.862 178.484 176.600 0.036 0.000 1.049 34 K CA 1.590 57.901 56.287 0.039 0.000 0.931 34 K CB -0.136 32.392 32.500 0.046 0.000 0.714 34 K HN 0.507 nan 8.250 nan 0.000 0.440 35 N N 0.321 119.038 118.700 0.028 0.000 2.270 35 N HA -0.089 4.651 4.740 -0.000 0.000 0.181 35 N C 1.683 177.204 175.510 0.018 0.000 1.016 35 N CA 0.975 54.040 53.050 0.025 0.000 0.870 35 N CB 0.012 38.511 38.487 0.021 0.000 0.979 35 N HN 0.238 nan 8.380 nan 0.000 0.431 36 A N 1.144 123.972 122.820 0.013 0.000 2.015 36 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 36 A C 2.164 179.757 177.584 0.015 0.000 1.163 36 A CA 0.752 52.792 52.037 0.006 0.000 0.646 36 A CB -0.349 18.650 19.000 -0.001 0.000 0.806 36 A HN 0.168 nan 8.150 nan 0.000 0.448 37 I N -0.953 119.631 120.570 0.024 0.000 2.400 37 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 37 I C 2.364 178.499 176.117 0.029 0.000 1.109 37 I CA 0.988 62.306 61.300 0.030 0.000 1.425 37 I CB -0.358 37.666 38.000 0.040 0.000 1.094 37 I HN 0.376 nan 8.210 nan 0.000 0.425 38 E N 0.968 121.187 120.200 0.031 0.000 2.110 38 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 38 E C 2.290 178.905 176.600 0.025 0.000 0.988 38 E CA 1.115 57.534 56.400 0.032 0.000 0.804 38 E CB -0.050 29.672 29.700 0.036 0.000 0.745 38 E HN 0.457 nan 8.360 nan 0.000 0.458 39 L N -0.573 120.662 121.223 0.020 0.000 2.217 39 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 39 L C 1.518 178.397 176.870 0.014 0.000 1.107 39 L CA 0.833 55.682 54.840 0.016 0.000 0.783 39 L CB -0.150 41.915 42.059 0.010 0.000 0.919 39 L HN 0.379 nan 8.230 nan 0.000 0.442 40 G N -0.834 107.976 108.800 0.015 0.000 2.130 40 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 40 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 40 G C 0.725 175.632 174.900 0.012 0.000 0.999 40 G CA 0.201 45.310 45.100 0.015 0.000 0.686 40 G HN 0.249 nan 8.290 nan 0.000 0.515 41 L N -0.416 120.811 121.223 0.008 0.000 2.093 41 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 41 L C 2.945 179.820 176.870 0.008 0.000 1.085 41 L CA 1.434 56.275 54.840 0.002 0.000 0.755 41 L CB -0.428 41.622 42.059 -0.015 0.000 0.904 41 L HN 0.371 nan 8.230 nan 0.000 0.435 42 L N -0.713 120.518 121.223 0.013 0.000 2.156 42 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 42 L C 2.387 179.267 176.870 0.016 0.000 1.095 42 L CA 0.957 55.808 54.840 0.019 0.000 0.770 42 L CB -0.526 41.549 42.059 0.026 0.000 0.914 42 L HN 0.294 nan 8.230 nan 0.000 0.439 43 E N 0.641 120.849 120.200 0.014 0.000 2.150 43 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 43 E C 2.295 178.901 176.600 0.010 0.000 0.985 43 E CA 1.006 57.412 56.400 0.009 0.000 0.814 43 E CB -0.020 29.686 29.700 0.009 0.000 0.752 43 E HN 0.499 nan 8.360 nan 0.000 0.466 44 I N 1.025 121.603 120.570 0.014 0.000 2.252 44 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 44 I C 2.310 178.440 176.117 0.022 0.000 1.102 44 I CA 0.974 62.285 61.300 0.017 0.000 1.385 44 I CB -0.150 37.861 38.000 0.019 0.000 1.064 44 I HN 0.109 nan 8.210 nan 0.000 0.414 45 L N -0.153 121.086 121.223 0.028 0.000 2.093 45 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 45 L C 2.516 179.401 176.870 0.025 0.000 1.085 45 L CA 0.913 55.776 54.840 0.037 0.000 0.755 45 L CB -0.584 41.505 42.059 0.049 0.000 0.904 45 L HN 0.094 nan 8.230 nan 0.000 0.435 46 V N 0.050 119.973 119.914 0.015 0.000 2.515 46 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 46 V C 2.643 178.737 176.094 -0.000 0.000 1.058 46 V CA 1.559 63.861 62.300 0.002 0.000 1.064 46 V CB -0.753 31.064 31.823 -0.010 0.000 0.675 46 V HN 0.458 nan 8.190 nan 0.000 0.461 47 A N -0.051 122.771 122.820 0.003 0.000 2.119 47 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 47 A C 2.126 179.714 177.584 0.006 0.000 1.153 47 A CA 1.327 53.365 52.037 0.002 0.000 0.692 47 A CB -0.378 18.624 19.000 0.004 0.000 0.799 47 A HN 0.552 nan 8.150 nan 0.000 0.458 48 A N -1.306 121.521 122.820 0.011 0.000 2.278 48 A HA 0.466 4.786 4.320 -0.000 0.000 0.212 48 A C 1.659 179.249 177.584 0.010 0.000 1.213 48 A CA 1.164 53.209 52.037 0.014 0.000 0.840 48 A CB -1.116 17.898 19.000 0.023 0.000 0.866 48 A HN 1.849 nan 8.150 nan 0.000 0.489 49 G N -0.512 108.291 108.800 0.005 0.000 2.561 49 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.289 49 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.289 49 G C 1.152 176.056 174.900 0.007 0.000 1.169 49 G CA 0.182 45.283 45.100 0.002 0.000 0.980 49 G HN 1.304 nan 8.290 nan 0.000 0.550 50 G N 0.496 109.300 108.800 0.006 0.000 2.986 50 G HA2 0.390 4.350 3.960 -0.000 0.000 0.213 50 G HA3 0.390 4.350 3.960 -0.000 0.000 0.213 50 G C 0.740 175.647 174.900 0.012 0.000 1.156 50 G CA 1.198 46.304 45.100 0.009 0.000 0.763 50 G HN 0.756 nan 8.290 nan 0.000 0.547 51 K N 0.860 121.267 120.400 0.011 0.000 2.276 51 K HA 0.298 4.618 4.320 -0.000 0.000 0.259 51 K C -0.390 176.221 176.600 0.018 0.000 1.001 51 K CA -0.102 56.192 56.287 0.011 0.000 0.927 51 K CB 0.371 32.877 32.500 0.010 0.000 0.969 51 K HN 0.049 nan 8.250 nan 0.000 0.490 52 S N 2.643 118.350 115.700 0.011 0.000 2.489 52 S HA 0.436 4.906 4.470 -0.000 0.000 0.291 52 S C -0.619 173.993 174.600 0.020 0.000 1.151 52 S CA -0.821 57.388 58.200 0.014 0.000 1.082 52 S CB 0.670 63.859 63.200 -0.018 0.000 1.019 52 S HN 0.413 nan 8.310 nan 0.000 0.492 53 L N 2.729 123.983 121.223 0.051 0.000 2.334 53 L HA 0.524 4.863 4.340 -0.000 0.000 0.276 53 L C 0.819 177.738 176.870 0.083 0.000 1.014 53 L CA -0.926 53.950 54.840 0.061 0.000 0.815 53 L CB 1.804 43.907 42.059 0.074 0.000 1.268 53 L HN 0.653 nan 8.230 nan 0.000 0.428 54 T N -1.520 113.070 114.554 0.059 0.000 2.868 54 T HA 0.212 4.562 4.350 -0.000 0.000 0.292 54 T C -1.986 172.788 174.700 0.123 0.000 1.028 54 T CA -1.530 60.612 62.100 0.070 0.000 1.059 54 T CB 1.228 70.119 68.868 0.038 0.000 0.991 54 T HN 0.335 nan 8.240 nan 0.000 0.531 55 P HA -0.061 nan 4.420 nan 0.000 0.218 55 P C 1.555 178.902 177.300 0.078 0.000 1.148 55 P CA 1.055 64.240 63.100 0.142 0.000 0.822 55 P CB -0.195 31.596 31.700 0.151 0.000 0.784 56 T N -0.679 113.913 114.554 0.063 0.000 2.777 56 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 56 T C 1.607 176.330 174.700 0.039 0.000 1.040 56 T CA 1.257 63.383 62.100 0.043 0.000 1.141 56 T CB -0.640 68.249 68.868 0.034 0.000 0.868 56 T HN 0.318 nan 8.240 nan 0.000 0.444 57 E N 0.434 120.660 120.200 0.043 0.000 2.110 57 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 57 E C 2.321 178.944 176.600 0.038 0.000 0.988 57 E CA 0.817 57.239 56.400 0.037 0.000 0.804 57 E CB -0.158 29.565 29.700 0.038 0.000 0.745 57 E HN 0.250 nan 8.360 nan 0.000 0.458 58 V N 1.134 121.078 119.914 0.050 0.000 2.358 58 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 58 V C 2.274 178.386 176.094 0.029 0.000 1.047 58 V CA 1.741 64.066 62.300 0.042 0.000 1.035 58 V CB -0.597 31.256 31.823 0.050 0.000 0.658 58 V HN 0.306 nan 8.190 nan 0.000 0.452 59 A N 0.091 122.928 122.820 0.029 0.000 1.969 59 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 59 A C 2.409 180.005 177.584 0.020 0.000 1.169 59 A CA 1.792 53.842 52.037 0.022 0.000 0.635 59 A CB -0.677 18.337 19.000 0.023 0.000 0.810 59 A HN 0.554 nan 8.150 nan 0.000 0.445 60 A N -0.018 122.814 122.820 0.021 0.000 1.972 60 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 60 A C 1.899 179.493 177.584 0.016 0.000 1.169 60 A CA 1.661 53.709 52.037 0.018 0.000 0.635 60 A CB -0.363 18.648 19.000 0.019 0.000 0.810 60 A HN 0.520 nan 8.150 nan 0.000 0.446 61 K N -0.555 119.856 120.400 0.018 0.000 2.522 61 K HA 0.257 4.577 4.320 -0.000 0.000 0.194 61 K C -0.647 175.962 176.600 0.014 0.000 1.026 61 K CA -0.009 56.288 56.287 0.016 0.000 1.119 61 K CB -0.087 32.424 32.500 0.017 0.000 0.856 61 K HN 0.381 nan 8.250 nan 0.000 0.513 62 L N 1.622 122.853 121.223 0.014 0.000 2.297 62 L HA 0.192 4.532 4.340 -0.000 0.000 0.277 62 L C -1.827 175.050 176.870 0.012 0.000 1.040 62 L CA -1.912 52.936 54.840 0.013 0.000 0.867 62 L CB 1.084 43.151 42.059 0.013 0.000 1.244 62 L HN -0.126 nan 8.230 nan 0.000 0.433 63 P HA -0.235 nan 4.420 nan 0.000 0.216 63 P C 1.529 178.836 177.300 0.011 0.000 1.157 63 P CA 1.148 64.255 63.100 0.011 0.000 0.880 63 P CB 0.324 32.030 31.700 0.010 0.000 0.791 64 S N -1.484 114.223 115.700 0.012 0.000 2.603 64 S HA 0.175 4.645 4.470 -0.000 0.000 0.220 64 S C 0.869 175.476 174.600 0.012 0.000 0.967 64 S CA -0.053 58.154 58.200 0.012 0.000 0.920 64 S CB -1.028 62.180 63.200 0.013 0.000 0.773 64 S HN 0.097 nan 8.310 nan 0.000 0.529 65 A N 1.449 124.277 122.820 0.012 0.000 2.541 65 A HA 0.598 4.918 4.320 -0.000 0.000 0.293 65 A C 0.509 178.100 177.584 0.012 0.000 1.307 65 A CA 0.240 52.284 52.037 0.012 0.000 0.978 65 A CB -0.507 18.501 19.000 0.013 0.000 1.111 65 A HN 0.621 nan 8.150 nan 0.000 0.535 66 A N 3.849 126.676 122.820 0.012 0.000 3.215 66 A HA 0.554 4.874 4.320 -0.000 0.000 0.320 66 A C -0.074 177.516 177.584 0.011 0.000 1.084 66 A CA -0.516 51.528 52.037 0.011 0.000 0.969 66 A CB -0.388 18.618 19.000 0.011 0.000 1.064 66 A HN 0.798 nan 8.150 nan 0.000 0.513 67 N N 0.746 119.453 118.700 0.012 0.000 2.542 67 N HA 0.403 5.143 4.740 -0.000 0.000 0.288 67 N C -2.667 172.850 175.510 0.013 0.000 1.115 67 N CA -1.420 51.637 53.050 0.012 0.000 0.924 67 N CB 1.894 40.388 38.487 0.012 0.000 1.526 67 N HN -0.079 nan 8.380 nan 0.000 0.515 68 P HA -0.057 nan 4.420 nan 0.000 0.219 68 P C 0.021 177.330 177.300 0.014 0.000 1.146 68 P CA 1.210 64.318 63.100 0.013 0.000 0.808 68 P CB 0.345 32.052 31.700 0.012 0.000 0.779 69 E N -1.023 119.186 120.200 0.014 0.000 2.479 69 E HA 0.134 4.484 4.350 -0.000 0.000 0.193 69 E C 1.880 178.490 176.600 0.016 0.000 1.049 69 E CA 0.160 56.569 56.400 0.015 0.000 0.870 69 E CB -0.200 29.509 29.700 0.014 0.000 0.944 69 E HN 0.154 nan 8.360 nan 0.000 0.492 70 A N 2.506 125.335 122.820 0.015 0.000 1.903 70 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 70 A C -0.288 177.306 177.584 0.017 0.000 1.191 70 A CA 1.434 53.480 52.037 0.015 0.000 0.638 70 A CB -1.399 17.610 19.000 0.014 0.000 0.823 70 A HN 0.157 nan 8.150 nan 0.000 0.451 71 P HA -0.137 nan 4.420 nan 0.000 0.215 71 P C 0.951 178.273 177.300 0.035 0.000 1.153 71 P CA 1.614 64.733 63.100 0.031 0.000 0.853 71 P CB -0.049 31.671 31.700 0.034 0.000 0.788 72 D N -1.247 119.171 120.400 0.030 0.000 2.117 72 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 72 D C 1.872 178.187 176.300 0.024 0.000 0.982 72 D CA 1.272 55.291 54.000 0.032 0.000 0.828 72 D CB -0.543 40.273 40.800 0.027 0.000 0.967 72 D HN 0.009 nan 8.370 nan 0.000 0.464 73 M N -0.509 119.100 119.600 0.016 0.000 2.117 73 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 73 M C 2.270 178.566 176.300 -0.006 0.000 1.065 73 M CA 0.834 56.138 55.300 0.007 0.000 1.114 73 M CB -0.148 32.457 32.600 0.007 0.000 1.361 73 M HN -0.035 nan 8.290 nan 0.000 0.408 74 V N 0.667 120.576 119.914 -0.009 0.000 2.407 74 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 74 V C 2.035 178.080 176.094 -0.081 0.000 1.055 74 V CA 2.186 64.463 62.300 -0.038 0.000 1.049 74 V CB -0.700 31.113 31.823 -0.018 0.000 0.662 74 V HN 0.474 nan 8.190 nan 0.000 0.455 75 D N 0.210 120.600 120.400 -0.017 0.000 2.117 75 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 75 D C 2.353 178.644 176.300 -0.015 0.000 0.987 75 D CA 1.524 55.541 54.000 0.027 0.000 0.829 75 D CB -0.111 40.764 40.800 0.124 0.000 0.961 75 D HN 0.367 nan 8.370 nan 0.000 0.460 76 R N -0.207 120.293 120.500 0.000 0.000 2.092 76 R HA 0.028 4.368 4.340 -0.000 0.000 0.231 76 R C 2.634 178.919 176.300 -0.026 0.000 1.119 76 R CA 0.903 57.007 56.100 0.007 0.000 0.970 76 R CB -0.199 30.110 30.300 0.016 0.000 0.864 76 R HN 0.307 nan 8.270 nan 0.000 0.440 77 I N 0.856 121.393 120.570 -0.056 0.000 2.142 77 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 77 I C 2.144 178.188 176.117 -0.122 0.000 1.078 77 I CA 1.427 62.689 61.300 -0.064 0.000 1.343 77 I CB -0.235 37.729 38.000 -0.060 0.000 1.046 77 I HN 0.149 nan 8.210 nan 0.000 0.405 78 L N 0.115 121.168 121.223 -0.285 0.000 2.201 78 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 78 L C 2.705 179.363 176.870 -0.353 0.000 1.105 78 L CA 0.927 55.466 54.840 -0.501 0.000 0.775 78 L CB -0.571 40.778 42.059 -1.183 0.000 0.913 78 L HN 0.242 nan 8.230 nan 0.000 0.440 79 R N 0.400 120.799 120.500 -0.168 0.000 2.096 79 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 79 R C 2.355 178.698 176.300 0.072 0.000 1.127 79 R CA 1.140 57.301 56.100 0.102 0.000 0.968 79 R CB -0.120 30.263 30.300 0.138 0.000 0.861 79 R HN 0.260 nan 8.270 nan 0.000 0.440 80 L N 1.147 122.396 121.223 0.044 0.000 2.005 80 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 80 L C 1.987 178.946 176.870 0.148 0.000 1.072 80 L CA 1.743 56.637 54.840 0.090 0.000 0.744 80 L CB -0.922 41.194 42.059 0.095 0.000 0.895 80 L HN 0.348 nan 8.230 nan 0.000 0.433 81 L N 0.250 121.535 121.223 0.104 0.000 2.127 81 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 81 L C 2.791 179.749 176.870 0.147 0.000 1.089 81 L CA 1.099 56.019 54.840 0.134 0.000 0.757 81 L CB -0.754 41.333 42.059 0.047 0.000 0.899 81 L HN 0.361 nan 8.230 nan 0.000 0.434 82 A N -0.061 122.827 122.820 0.114 0.000 1.968 82 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 82 A C 2.475 180.106 177.584 0.078 0.000 1.169 82 A CA 1.477 53.593 52.037 0.133 0.000 0.638 82 A CB -0.523 18.606 19.000 0.216 0.000 0.812 82 A HN 0.498 nan 8.150 nan 0.000 0.446 83 S N -1.925 113.788 115.700 0.023 0.000 2.507 83 S HA -0.099 4.370 4.470 -0.000 0.000 0.235 83 S C 1.083 175.521 174.600 -0.269 0.000 0.988 83 S CA 1.018 59.138 58.200 -0.133 0.000 0.944 83 S CB -0.569 62.504 63.200 -0.211 0.000 0.762 83 S HN 0.541 nan 8.310 nan 0.000 0.526 84 Y N 1.679 122.009 120.300 0.049 0.000 2.584 84 Y HA 0.411 4.961 4.550 -0.000 0.000 0.254 84 Y C 0.591 176.520 175.900 0.048 0.000 1.177 84 Y CA -1.225 56.903 58.100 0.047 0.000 1.216 84 Y CB -0.775 37.713 38.460 0.046 0.000 1.172 84 Y HN 0.301 nan 8.280 nan 0.000 0.529 85 N N -1.571 117.217 118.700 0.146 0.000 2.741 85 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 85 N C 0.646 176.232 175.510 0.126 0.000 1.115 85 N CA 0.407 53.527 53.050 0.117 0.000 0.724 85 N CB -1.283 37.264 38.487 0.099 0.000 1.090 85 N HN 0.111 nan 8.380 nan 0.000 0.558 86 V N -0.560 119.439 119.914 0.142 0.000 2.591 86 V HA -0.005 4.115 4.120 -0.000 0.000 0.249 86 V C 1.130 177.284 176.094 0.099 0.000 1.053 86 V CA 1.632 64.002 62.300 0.116 0.000 1.068 86 V CB 0.217 32.106 31.823 0.109 0.000 0.689 86 V HN 0.405 nan 8.190 nan 0.000 0.462 87 V N -3.098 116.880 119.914 0.106 0.000 3.182 87 V HA 0.812 4.932 4.120 -0.000 0.000 0.308 87 V C -0.449 175.725 176.094 0.134 0.000 1.240 87 V CA -0.195 62.172 62.300 0.111 0.000 1.063 87 V CB 1.723 33.611 31.823 0.108 0.000 1.076 87 V HN 0.219 nan 8.190 nan 0.000 0.446 88 T N -0.936 113.703 114.554 0.142 0.000 2.929 88 T HA 0.739 5.089 4.350 -0.000 0.000 0.284 88 T C -0.399 174.396 174.700 0.159 0.000 1.014 88 T CA -0.367 61.803 62.100 0.118 0.000 1.051 88 T CB 1.248 70.157 68.868 0.069 0.000 1.028 88 T HN 1.738 nan 8.240 nan 0.000 0.485 89 C N 3.512 122.854 119.300 0.069 0.000 2.686 89 C HA 0.838 5.298 4.460 -0.000 0.000 0.318 89 C C -1.405 173.511 174.990 -0.125 0.000 1.160 89 C CA -0.795 58.174 59.018 -0.082 0.000 1.396 89 C CB 0.475 28.239 27.740 0.039 0.000 1.924 89 C HN 1.098 nan 8.230 nan 0.000 0.471 90 L N 6.080 127.171 121.223 -0.221 0.000 2.410 90 L HA 0.805 5.145 4.340 -0.000 0.000 0.270 90 L C -0.966 175.809 176.870 -0.159 0.000 0.983 90 L CA -0.201 54.554 54.840 -0.141 0.000 0.822 90 L CB 2.152 44.147 42.059 -0.107 0.000 1.285 90 L HN 0.582 nan 8.230 nan 0.000 0.409 91 V N 4.122 123.976 119.914 -0.100 0.000 2.407 91 V HA 0.499 4.619 4.120 -0.000 0.000 0.278 91 V C -0.331 175.726 176.094 -0.062 0.000 1.037 91 V CA -0.444 61.807 62.300 -0.082 0.000 0.900 91 V CB 1.242 33.034 31.823 -0.051 0.000 0.983 91 V HN 0.823 nan 8.190 nan 0.000 0.459 92 E N 3.076 123.241 120.200 -0.058 0.000 2.199 92 E HA 0.542 4.892 4.350 -0.000 0.000 0.269 92 E C -0.722 175.861 176.600 -0.029 0.000 0.899 92 E CA -0.619 55.757 56.400 -0.041 0.000 0.772 92 E CB 2.490 32.164 29.700 -0.043 0.000 1.155 92 E HN 0.732 nan 8.360 nan 0.000 0.408 93 E N 1.730 121.917 120.200 -0.021 0.000 2.166 93 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 93 E C -0.328 176.264 176.600 -0.012 0.000 0.941 93 E CA -0.755 55.636 56.400 -0.015 0.000 0.784 93 E CB 1.035 30.727 29.700 -0.012 0.000 1.115 93 E HN 0.629 nan 8.360 nan 0.000 0.399 94 G N 2.712 111.507 108.800 -0.009 0.000 2.580 94 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.278 94 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.278 94 G C 0.581 175.478 174.900 -0.006 0.000 1.212 94 G CA -0.304 44.791 45.100 -0.007 0.000 0.939 94 G HN 0.732 nan 8.290 nan 0.000 0.513 95 K N -0.470 119.928 120.400 -0.004 0.000 2.113 95 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 95 K C 1.621 178.220 176.600 -0.003 0.000 1.047 95 K CA 2.035 58.319 56.287 -0.003 0.000 0.928 95 K CB -0.007 32.492 32.500 -0.003 0.000 0.716 95 K HN 0.620 nan 8.250 nan 0.000 0.446 96 D N -1.798 118.601 120.400 -0.002 0.000 2.340 96 D HA 0.022 4.662 4.640 -0.000 0.000 0.220 96 D C 1.087 177.386 176.300 -0.001 0.000 1.039 96 D CA 0.884 54.883 54.000 -0.001 0.000 0.866 96 D CB 0.519 41.318 40.800 -0.000 0.000 0.913 96 D HN 0.475 nan 8.370 nan 0.000 0.523 97 G N 1.212 110.011 108.800 -0.003 0.000 2.213 97 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.226 97 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.226 97 G C 0.364 175.262 174.900 -0.003 0.000 0.992 97 G CA -0.012 45.087 45.100 -0.003 0.000 0.632 97 G HN 0.569 nan 8.290 nan 0.000 0.511 98 R N 0.844 121.342 120.500 -0.002 0.000 2.538 98 R HA 0.426 4.766 4.340 -0.000 0.000 0.282 98 R C 0.068 176.365 176.300 -0.004 0.000 1.009 98 R CA 0.046 56.145 56.100 -0.002 0.000 1.063 98 R CB -0.025 30.275 30.300 -0.000 0.000 0.945 98 R HN 0.319 nan 8.270 nan 0.000 0.414 99 L N 3.801 125.022 121.223 -0.004 0.000 2.322 99 L HA 0.466 4.806 4.340 -0.000 0.000 0.279 99 L C -0.055 176.810 176.870 -0.008 0.000 1.036 99 L CA -0.480 54.355 54.840 -0.008 0.000 0.807 99 L CB 1.895 43.950 42.059 -0.007 0.000 1.226 99 L HN 0.870 nan 8.230 nan 0.000 0.433 100 S N 1.753 117.441 115.700 -0.019 0.000 2.625 100 S HA 0.746 5.216 4.470 -0.000 0.000 0.271 100 S C -0.947 173.617 174.600 -0.060 0.000 1.161 100 S CA -1.200 56.986 58.200 -0.022 0.000 0.820 100 S CB 2.221 65.412 63.200 -0.016 0.000 1.137 100 S HN 0.584 nan 8.310 nan 0.000 0.470 101 R N 0.370 120.818 120.500 -0.086 0.000 2.803 101 R HA 0.814 5.154 4.340 -0.000 0.000 0.276 101 R C -1.003 175.100 176.300 -0.329 0.000 0.978 101 R CA -0.670 55.290 56.100 -0.234 0.000 0.939 101 R CB 2.226 32.371 30.300 -0.258 0.000 1.179 101 R HN 0.927 nan 8.270 nan 0.000 0.472 102 S N 0.782 116.193 115.700 -0.483 0.000 2.548 102 S HA 0.605 5.075 4.470 -0.000 0.000 0.286 102 S C -1.276 172.973 174.600 -0.585 0.000 1.098 102 S CA -0.868 57.116 58.200 -0.360 0.000 0.930 102 S CB 1.125 64.231 63.200 -0.156 0.000 1.070 102 S HN 0.463 nan 8.310 nan 0.000 0.480 103 Y N 0.207 120.515 120.300 0.014 0.000 2.446 103 Y HA 0.774 5.324 4.550 -0.000 0.000 0.345 103 Y C 0.768 176.678 175.900 0.016 0.000 0.984 103 Y CA -0.467 57.643 58.100 0.017 0.000 1.058 103 Y CB 2.417 40.889 38.460 0.021 0.000 1.220 103 Y HN 1.116 nan 8.280 nan 0.000 0.455 104 G N 0.304 109.202 108.800 0.164 0.000 2.630 104 G HA2 0.672 4.632 3.960 -0.000 0.000 0.296 104 G HA3 0.672 4.632 3.960 -0.000 0.000 0.296 104 G C -1.370 173.589 174.900 0.098 0.000 1.285 104 G CA -1.055 44.105 45.100 0.100 0.000 0.958 104 G HN 0.799 nan 8.290 nan 0.000 0.479 105 A N -0.477 122.383 122.820 0.066 0.000 2.401 105 A HA 0.734 5.054 4.320 -0.000 0.000 0.259 105 A C 0.713 178.331 177.584 0.056 0.000 1.103 105 A CA 0.485 52.556 52.037 0.056 0.000 0.789 105 A CB 0.376 19.396 19.000 0.034 0.000 1.035 105 A HN 1.765 nan 8.150 nan 0.000 0.491 106 A N 3.135 125.994 122.820 0.064 0.000 2.269 106 A HA 0.751 5.071 4.320 -0.000 0.000 0.327 106 A C -1.600 176.024 177.584 0.067 0.000 1.112 106 A CA -1.664 50.414 52.037 0.068 0.000 0.865 106 A CB 0.093 19.143 19.000 0.082 0.000 1.227 106 A HN 0.532 nan 8.150 nan 0.000 0.498 107 P HA -0.156 nan 4.420 nan 0.000 0.216 107 P C 1.457 178.848 177.300 0.152 0.000 1.153 107 P CA 1.331 64.489 63.100 0.097 0.000 0.858 107 P CB 0.088 31.854 31.700 0.110 0.000 0.789 108 V N -0.856 119.160 119.914 0.170 0.000 2.720 108 V HA -0.247 3.873 4.120 -0.000 0.000 0.256 108 V C 1.931 178.141 176.094 0.193 0.000 1.082 108 V CA 1.772 64.213 62.300 0.234 0.000 1.101 108 V CB -1.237 30.684 31.823 0.163 0.000 0.693 108 V HN 0.205 nan 8.190 nan 0.000 0.479 109 C N -0.133 119.229 119.300 0.104 0.000 2.419 109 C HA -0.132 4.328 4.460 -0.000 0.000 0.281 109 C C 2.581 177.570 174.990 -0.003 0.000 1.336 109 C CA 1.503 60.555 59.018 0.057 0.000 1.770 109 C CB -1.192 26.570 27.740 0.037 0.000 1.929 109 C HN 0.694 nan 8.230 nan 0.000 0.509 110 K N 0.108 120.456 120.400 -0.086 0.000 2.152 110 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 110 K C 1.034 177.379 176.600 -0.426 0.000 1.048 110 K CA 1.649 57.749 56.287 -0.311 0.000 0.933 110 K CB -0.206 31.983 32.500 -0.519 0.000 0.721 110 K HN 0.483 nan 8.250 nan 0.000 0.447 111 F N 0.149 120.117 119.950 0.031 0.000 2.727 111 F HA 0.190 4.717 4.527 -0.000 0.000 0.302 111 F C 1.051 176.872 175.800 0.035 0.000 1.097 111 F CA 0.095 58.115 58.000 0.033 0.000 1.330 111 F CB 0.467 39.494 39.000 0.044 0.000 1.084 111 F HN -0.081 nan 8.300 nan 0.000 0.578 112 L N -0.299 121.008 121.223 0.139 0.000 2.906 112 L HA 0.235 4.575 4.340 -0.000 0.000 0.255 112 L C 0.272 177.175 176.870 0.056 0.000 1.166 112 L CA -0.008 54.894 54.840 0.104 0.000 0.977 112 L CB 0.088 42.206 42.059 0.100 0.000 1.313 112 L HN 0.034 nan 8.230 nan 0.000 0.549 113 T N -3.835 110.734 114.554 0.025 0.000 2.906 113 T HA 0.525 4.875 4.350 -0.000 0.000 0.295 113 T C -2.882 171.812 174.700 -0.011 0.000 1.061 113 T CA -2.306 59.797 62.100 0.005 0.000 1.000 113 T CB 1.883 70.745 68.868 -0.010 0.000 1.103 113 T HN -0.320 nan 8.240 nan 0.000 0.486 114 P HA 0.101 nan 4.420 nan 0.000 0.261 114 P C -0.252 177.027 177.300 -0.035 0.000 1.173 114 P CA 0.044 63.137 63.100 -0.013 0.000 0.760 114 P CB 0.284 31.979 31.700 -0.008 0.000 0.783 115 N N 2.733 121.411 118.700 -0.037 0.000 2.593 115 N HA 0.061 4.801 4.740 -0.000 0.000 0.304 115 N C 1.103 176.588 175.510 -0.042 0.000 1.296 115 N CA -0.379 52.636 53.050 -0.057 0.000 0.950 115 N CB -0.131 38.317 38.487 -0.065 0.000 1.127 115 N HN 0.301 nan 8.380 nan 0.000 0.587 116 E N -0.640 119.533 120.200 -0.045 0.000 2.204 116 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 116 E C -0.110 176.475 176.600 -0.026 0.000 0.990 116 E CA 1.331 57.710 56.400 -0.035 0.000 0.821 116 E CB -0.581 29.097 29.700 -0.037 0.000 0.750 116 E HN 0.617 nan 8.360 nan 0.000 0.477 117 D N 0.609 120.993 120.400 -0.027 0.000 2.340 117 D HA 0.100 4.740 4.640 -0.000 0.000 0.220 117 D C 0.882 177.175 176.300 -0.011 0.000 1.039 117 D CA 0.893 54.882 54.000 -0.019 0.000 0.866 117 D CB 0.407 41.192 40.800 -0.026 0.000 0.913 117 D HN 0.436 nan 8.370 nan 0.000 0.523 118 G N 1.196 109.988 108.800 -0.013 0.000 2.143 118 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.248 118 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.248 118 G C 0.486 175.386 174.900 -0.001 0.000 0.991 118 G CA 0.697 45.793 45.100 -0.006 0.000 0.689 118 G HN 0.402 nan 8.290 nan 0.000 0.522 119 V N -2.747 117.165 119.914 -0.003 0.000 3.113 119 V HA 1.032 5.152 4.120 -0.000 0.000 0.316 119 V C 0.143 176.248 176.094 0.019 0.000 1.125 119 V CA 0.289 62.593 62.300 0.007 0.000 1.026 119 V CB 1.896 33.719 31.823 0.001 0.000 1.080 119 V HN 1.961 nan 8.190 nan 0.000 0.444 120 S N 1.621 117.346 115.700 0.042 0.000 2.683 120 S HA 0.472 4.942 4.470 -0.000 0.000 0.269 120 S C -0.055 174.606 174.600 0.101 0.000 1.165 120 S CA -0.693 57.554 58.200 0.079 0.000 0.840 120 S CB 1.416 64.656 63.200 0.068 0.000 1.169 120 S HN 0.686 nan 8.310 nan 0.000 0.490 121 M N 1.105 120.788 119.600 0.139 0.000 2.563 121 M HA 0.332 4.812 4.480 -0.000 0.000 0.231 121 M C 1.907 178.279 176.300 0.120 0.000 1.136 121 M CA 0.715 56.102 55.300 0.145 0.000 1.026 121 M CB -1.522 31.176 32.600 0.163 0.000 1.597 121 M HN 0.865 nan 8.290 nan 0.000 0.495 122 A N 0.460 123.339 122.820 0.098 0.000 1.933 122 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 122 A C 2.362 179.989 177.584 0.071 0.000 1.175 122 A CA 1.790 53.875 52.037 0.079 0.000 0.628 122 A CB -0.511 18.526 19.000 0.062 0.000 0.814 122 A HN 0.458 nan 8.150 nan 0.000 0.444 123 A N -0.543 122.316 122.820 0.064 0.000 2.015 123 A HA 0.068 4.388 4.320 -0.000 0.000 0.219 123 A C 2.081 179.696 177.584 0.052 0.000 1.163 123 A CA 1.208 53.273 52.037 0.046 0.000 0.646 123 A CB -0.440 18.576 19.000 0.026 0.000 0.806 123 A HN 0.473 nan 8.150 nan 0.000 0.448 124 L N -1.170 120.104 121.223 0.084 0.000 2.156 124 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 124 L C 3.035 179.970 176.870 0.108 0.000 1.095 124 L CA 0.868 55.769 54.840 0.101 0.000 0.770 124 L CB -0.427 41.725 42.059 0.155 0.000 0.914 124 L HN 0.443 nan 8.230 nan 0.000 0.439 125 A N 0.123 123.004 122.820 0.103 0.000 1.930 125 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 125 A C 2.183 179.825 177.584 0.097 0.000 1.175 125 A CA 1.148 53.244 52.037 0.098 0.000 0.627 125 A CB -0.539 18.512 19.000 0.085 0.000 0.815 125 A HN 0.351 nan 8.150 nan 0.000 0.443 126 L N -1.195 120.081 121.223 0.088 0.000 2.141 126 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 126 L C 2.758 179.704 176.870 0.128 0.000 1.094 126 L CA 1.486 56.382 54.840 0.093 0.000 0.763 126 L CB -0.409 41.693 42.059 0.072 0.000 0.908 126 L HN 0.587 nan 8.230 nan 0.000 0.437 127 M N -0.029 119.642 119.600 0.119 0.000 2.115 127 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 127 M C 2.025 178.473 176.300 0.246 0.000 1.079 127 M CA 1.659 57.058 55.300 0.166 0.000 1.143 127 M CB -0.133 32.506 32.600 0.065 0.000 1.332 127 M HN 0.213 nan 8.290 nan 0.000 0.421 128 N N 0.572 119.391 118.700 0.198 0.000 2.149 128 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 128 N C 1.126 176.768 175.510 0.219 0.000 1.019 128 N CA 1.329 54.516 53.050 0.228 0.000 0.857 128 N CB -0.373 38.230 38.487 0.194 0.000 0.997 128 N HN 0.471 nan 8.380 nan 0.000 0.426 129 Q N 0.720 120.619 119.800 0.166 0.000 2.247 129 Q HA 0.138 4.478 4.340 -0.000 0.000 0.205 129 Q C -0.717 175.372 176.000 0.149 0.000 0.896 129 Q CA -0.059 55.825 55.803 0.135 0.000 0.950 129 Q CB -0.016 28.774 28.738 0.086 0.000 1.054 129 Q HN 0.292 nan 8.270 nan 0.000 0.482 130 D N -0.383 120.134 120.400 0.196 0.000 2.372 130 D HA -0.002 4.638 4.640 -0.000 0.000 0.243 130 D C 1.059 177.444 176.300 0.142 0.000 1.121 130 D CA 0.030 54.150 54.000 0.199 0.000 0.898 130 D CB 0.900 41.904 40.800 0.341 0.000 1.202 130 D HN -0.063 nan 8.370 nan 0.000 0.428 131 K N 1.776 122.247 120.400 0.119 0.000 2.103 131 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 131 K C 1.603 178.247 176.600 0.074 0.000 1.048 131 K CA 1.068 57.422 56.287 0.112 0.000 0.930 131 K CB -0.060 32.503 32.500 0.105 0.000 0.716 131 K HN 0.373 nan 8.250 nan 0.000 0.444 132 V N 1.640 121.517 119.914 -0.061 0.000 2.324 132 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 132 V C 2.230 178.213 176.094 -0.186 0.000 1.060 132 V CA 1.759 63.900 62.300 -0.266 0.000 1.042 132 V CB -0.318 30.960 31.823 -0.908 0.000 0.650 132 V HN 0.366 nan 8.190 nan 0.000 0.450 133 L N -1.469 119.665 121.223 -0.149 0.000 2.270 133 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 133 L C 2.452 179.479 176.870 0.262 0.000 1.104 133 L CA 0.550 55.377 54.840 -0.022 0.000 0.804 133 L CB -0.402 41.642 42.059 -0.026 0.000 0.937 133 L HN 0.291 nan 8.230 nan 0.000 0.450 134 M N -0.246 119.510 119.600 0.259 0.000 2.229 134 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 134 M C 2.055 178.472 176.300 0.195 0.000 1.063 134 M CA 1.355 56.853 55.300 0.330 0.000 1.114 134 M CB -0.849 31.879 32.600 0.213 0.000 1.387 134 M HN 0.138 nan 8.290 nan 0.000 0.420 135 E N 0.475 120.808 120.200 0.222 0.000 2.118 135 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 135 E C 1.978 178.690 176.600 0.187 0.000 0.992 135 E CA 1.662 58.230 56.400 0.281 0.000 0.804 135 E CB -0.074 29.707 29.700 0.136 0.000 0.741 135 E HN 0.344 nan 8.360 nan 0.000 0.458 136 S N -0.360 115.392 115.700 0.087 0.000 2.374 136 S HA -0.199 4.271 4.470 -0.000 0.000 0.227 136 S C 1.485 176.000 174.600 -0.141 0.000 1.037 136 S CA 1.473 59.658 58.200 -0.025 0.000 1.024 136 S CB -0.614 62.535 63.200 -0.085 0.000 0.861 136 S HN 0.488 nan 8.310 nan 0.000 0.456 137 W N 0.436 121.636 121.300 -0.167 0.000 2.364 137 W HA -0.115 4.545 4.660 0.000 0.000 0.281 137 W C 1.518 177.830 176.519 -0.346 0.000 1.219 137 W CA 0.342 57.506 57.345 -0.302 0.000 1.220 137 W CB -0.639 28.572 29.460 -0.414 0.000 1.127 137 W HN 0.363 nan 8.180 nan 0.000 0.556 138 Y N -2.343 117.999 120.300 0.070 0.000 2.616 138 Y HA -0.075 4.475 4.550 -0.000 0.000 0.296 138 Y C 0.886 176.466 175.900 -0.534 0.000 1.154 138 Y CA 0.484 58.443 58.100 -0.236 0.000 1.325 138 Y CB -1.091 37.148 38.460 -0.367 0.000 1.007 138 Y HN 0.075 nan 8.280 nan 0.000 0.542 139 Y N -2.416 117.899 120.300 0.025 0.000 2.557 139 Y HA 0.160 4.710 4.550 0.000 0.000 0.247 139 Y C 1.613 177.479 175.900 -0.057 0.000 1.164 139 Y CA -0.621 57.461 58.100 -0.030 0.000 1.218 139 Y CB 0.127 38.536 38.460 -0.084 0.000 1.210 139 Y HN 0.042 nan 8.280 nan 0.000 0.529 140 L N 1.704 122.947 121.223 0.032 0.000 2.017 140 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 140 L C 2.348 179.223 176.870 0.009 0.000 1.073 140 L CA 2.031 56.870 54.840 -0.002 0.000 0.745 140 L CB -0.573 41.505 42.059 0.031 0.000 0.894 140 L HN 0.241 nan 8.230 nan 0.000 0.432 141 K N -1.436 118.970 120.400 0.010 0.000 2.063 141 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 141 K C 1.667 178.270 176.600 0.006 0.000 1.048 141 K CA 1.810 58.098 56.287 0.002 0.000 0.928 141 K CB -0.869 31.626 32.500 -0.008 0.000 0.713 141 K HN 0.289 nan 8.250 nan 0.000 0.442 142 D N 1.439 121.851 120.400 0.020 0.000 2.149 142 D HA -0.136 4.503 4.640 -0.000 0.000 0.198 142 D C 2.083 178.399 176.300 0.026 0.000 0.990 142 D CA 1.704 55.725 54.000 0.035 0.000 0.839 142 D CB -0.223 40.633 40.800 0.093 0.000 0.948 142 D HN 0.458 nan 8.370 nan 0.000 0.460 143 A N 0.669 123.502 122.820 0.022 0.000 1.969 143 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 143 A C 2.531 180.109 177.584 -0.010 0.000 1.169 143 A CA 0.797 52.834 52.037 -0.001 0.000 0.635 143 A CB -0.549 18.439 19.000 -0.020 0.000 0.810 143 A HN 0.133 nan 8.150 nan 0.000 0.445 144 V N 0.163 120.072 119.914 -0.009 0.000 2.407 144 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 144 V C 2.478 178.567 176.094 -0.008 0.000 1.055 144 V CA 1.915 64.208 62.300 -0.011 0.000 1.049 144 V CB -0.652 31.165 31.823 -0.009 0.000 0.662 144 V HN 0.571 nan 8.190 nan 0.000 0.455 145 L N -0.400 120.820 121.223 -0.005 0.000 2.162 145 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 145 L C 1.874 178.742 176.870 -0.004 0.000 1.086 145 L CA 1.154 55.991 54.840 -0.004 0.000 0.778 145 L CB -0.449 41.608 42.059 -0.003 0.000 0.928 145 L HN 0.359 nan 8.230 nan 0.000 0.446 146 D N -0.693 119.706 120.400 -0.002 0.000 2.423 146 D HA 0.234 4.874 4.640 -0.000 0.000 0.212 146 D C 1.058 177.354 176.300 -0.006 0.000 1.060 146 D CA 0.928 54.926 54.000 -0.003 0.000 0.872 146 D CB 0.857 41.657 40.800 0.001 0.000 1.012 146 D HN 0.242 nan 8.370 nan 0.000 0.503 147 G N 0.030 108.825 108.800 -0.008 0.000 2.712 147 G HA2 0.385 4.345 3.960 -0.000 0.000 0.683 147 G HA3 0.385 4.345 3.960 -0.000 0.000 0.683 147 G C 0.281 175.173 174.900 -0.013 0.000 1.320 147 G CA -0.405 44.688 45.100 -0.012 0.000 0.847 147 G HN 0.901 nan 8.290 nan 0.000 0.553 148 G N -1.524 107.266 108.800 -0.016 0.000 2.549 148 G HA2 0.341 4.301 3.960 -0.000 0.000 0.404 148 G HA3 0.341 4.301 3.960 -0.000 0.000 0.404 148 G C -0.431 174.451 174.900 -0.030 0.000 1.292 148 G CA -0.041 45.049 45.100 -0.017 0.000 0.935 148 G HN 1.738 nan 8.290 nan 0.000 0.512 149 I N 1.516 122.066 120.570 -0.032 0.000 2.354 149 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 149 I C -1.385 174.703 176.117 -0.049 0.000 0.989 149 I CA -2.251 59.021 61.300 -0.047 0.000 1.188 149 I CB 2.422 40.402 38.000 -0.033 0.000 1.342 149 I HN 0.295 nan 8.210 nan 0.000 0.457 150 P HA -0.213 nan 4.420 nan 0.000 0.216 150 P C 1.605 178.855 177.300 -0.085 0.000 1.153 150 P CA 1.371 64.439 63.100 -0.054 0.000 0.858 150 P CB 0.125 31.751 31.700 -0.123 0.000 0.789 151 F N 0.953 120.817 119.950 -0.144 0.000 2.069 151 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 151 F C 1.729 177.478 175.800 -0.084 0.000 1.113 151 F CA 1.803 59.761 58.000 -0.071 0.000 1.214 151 F CB -0.912 38.046 39.000 -0.070 0.000 0.978 151 F HN -0.164 nan 8.300 nan 0.000 0.474 152 N N 0.554 119.294 118.700 0.067 0.000 2.149 152 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 152 N C 1.600 176.981 175.510 -0.215 0.000 1.019 152 N CA 1.585 54.627 53.050 -0.013 0.000 0.857 152 N CB -0.348 38.162 38.487 0.037 0.000 0.997 152 N HN 0.329 nan 8.380 nan 0.000 0.426 153 K N 0.087 120.316 120.400 -0.284 0.000 2.152 153 K HA -0.000 4.320 4.320 -0.000 0.000 0.206 153 K C 1.782 177.908 176.600 -0.789 0.000 1.048 153 K CA 1.270 57.310 56.287 -0.411 0.000 0.933 153 K CB -0.067 32.243 32.500 -0.316 0.000 0.721 153 K HN 0.209 nan 8.250 nan 0.000 0.447 154 A N -0.395 121.782 122.820 -1.072 0.000 2.030 154 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 154 A C 1.200 178.127 177.584 -1.095 0.000 1.164 154 A CA 0.755 51.985 52.037 -1.346 0.000 0.697 154 A CB -0.065 18.114 19.000 -1.367 0.000 0.827 154 A HN 0.255 nan 8.150 nan 0.000 0.457 155 Y N -1.513 118.404 120.300 -0.639 0.000 2.430 155 Y HA 0.375 4.925 4.550 0.000 0.000 0.248 155 Y C 1.729 177.504 175.900 -0.209 0.000 1.108 155 Y CA -0.059 57.773 58.100 -0.445 0.000 1.264 155 Y CB 0.413 38.471 38.460 -0.670 0.000 1.172 155 Y HN 0.378 nan 8.280 nan 0.000 0.520 156 G N 1.564 110.308 108.800 -0.092 0.000 2.160 156 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 156 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 156 G C 0.038 174.964 174.900 0.044 0.000 1.008 156 G CA 0.688 45.769 45.100 -0.031 0.000 0.724 156 G HN 0.407 nan 8.290 nan 0.000 0.514 157 M N -2.143 117.516 119.600 0.098 0.000 2.790 157 M HA 0.655 5.135 4.480 -0.000 0.000 0.272 157 M C 0.030 176.470 176.300 0.234 0.000 1.168 157 M CA -0.363 55.025 55.300 0.146 0.000 0.829 157 M CB 0.912 33.611 32.600 0.165 0.000 1.675 157 M HN 0.963 nan 8.290 nan 0.000 0.505 158 S N 1.202 116.998 115.700 0.159 0.000 2.600 158 S HA 0.642 5.112 4.470 -0.000 0.000 0.265 158 S C 1.105 175.650 174.600 -0.091 0.000 1.325 158 S CA -0.010 58.232 58.200 0.070 0.000 1.002 158 S CB 1.337 64.538 63.200 0.002 0.000 0.921 158 S HN 1.145 nan 8.310 nan 0.000 0.554 159 A N 1.304 123.710 122.820 -0.689 0.000 1.908 159 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 159 A C 1.741 178.648 177.584 -1.129 0.000 1.181 159 A CA 1.508 52.679 52.037 -1.443 0.000 0.627 159 A CB -1.178 16.791 19.000 -1.718 0.000 0.818 159 A HN 0.815 nan 8.150 nan 0.000 0.445 160 F N 0.227 119.761 119.950 -0.693 0.000 2.234 160 F HA -0.042 4.485 4.527 0.000 0.000 0.299 160 F C 2.372 178.005 175.800 -0.278 0.000 1.087 160 F CA 1.318 58.948 58.000 -0.617 0.000 1.340 160 F CB -0.595 38.249 39.000 -0.260 0.000 1.031 160 F HN 0.335 nan 8.300 nan 0.000 0.500 161 E N -1.302 118.906 120.200 0.013 0.000 2.150 161 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 161 E C 1.854 178.456 176.600 0.003 0.000 0.985 161 E CA 1.069 57.491 56.400 0.037 0.000 0.814 161 E CB -0.409 29.334 29.700 0.072 0.000 0.752 161 E HN 0.489 nan 8.360 nan 0.000 0.466 162 Y N 1.148 121.395 120.300 -0.088 0.000 2.242 162 Y HA -0.199 4.351 4.550 0.000 0.000 0.291 162 Y C 1.916 177.844 175.900 0.046 0.000 1.137 162 Y CA 1.744 59.829 58.100 -0.025 0.000 1.181 162 Y CB -0.146 38.326 38.460 0.020 0.000 0.989 162 Y HN 0.137 nan 8.280 nan 0.000 0.527 163 H N -1.718 117.351 119.070 -0.001 0.000 2.353 163 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 163 H C 2.214 177.424 175.328 -0.196 0.000 1.103 163 H CA 0.537 56.579 56.048 -0.011 0.000 1.293 163 H CB -0.430 29.364 29.762 0.053 0.000 1.372 163 H HN 0.477 nan 8.280 nan 0.000 0.501 164 G N -0.168 108.461 108.800 -0.285 0.000 2.625 164 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.214 164 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.214 164 G C 1.594 176.302 174.900 -0.319 0.000 1.132 164 G CA 1.217 45.966 45.100 -0.585 0.000 0.782 164 G HN 0.513 nan 8.290 nan 0.000 0.538 165 T N -4.179 110.185 114.554 -0.318 0.000 3.010 165 T HA 0.172 4.522 4.350 -0.000 0.000 0.257 165 T C 0.161 174.663 174.700 -0.330 0.000 1.020 165 T CA 0.121 62.036 62.100 -0.308 0.000 0.938 165 T CB 0.656 69.325 68.868 -0.333 0.000 1.049 165 T HN -0.005 nan 8.240 nan 0.000 0.522 166 D N 1.626 121.817 120.400 -0.349 0.000 2.375 166 D HA 0.388 5.028 4.640 -0.000 0.000 0.259 166 D C -2.194 174.092 176.300 -0.023 0.000 1.235 166 D CA -2.269 51.615 54.000 -0.193 0.000 0.924 166 D CB 2.072 42.724 40.800 -0.246 0.000 1.143 166 D HN -0.067 nan 8.370 nan 0.000 0.529 167 P HA -0.163 nan 4.420 nan 0.000 0.216 167 P C 1.428 178.755 177.300 0.046 0.000 1.153 167 P CA 0.994 64.104 63.100 0.015 0.000 0.858 167 P CB 0.315 32.020 31.700 0.008 0.000 0.789 168 R N -1.270 119.275 120.500 0.075 0.000 2.073 168 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 168 R C 2.147 178.531 176.300 0.141 0.000 1.134 168 R CA 1.549 57.710 56.100 0.101 0.000 0.952 168 R CB -0.958 29.415 30.300 0.122 0.000 0.850 168 R HN 0.119 nan 8.270 nan 0.000 0.433 169 F N 1.915 121.900 119.950 0.058 0.000 2.293 169 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 169 F C 1.954 177.769 175.800 0.025 0.000 1.089 169 F CA 1.494 59.539 58.000 0.075 0.000 1.377 169 F CB -0.489 38.606 39.000 0.157 0.000 1.051 169 F HN 0.120 nan 8.300 nan 0.000 0.511 170 N N 0.703 119.381 118.700 -0.036 0.000 2.149 170 N HA -0.250 4.490 4.740 -0.000 0.000 0.188 170 N C 2.150 177.581 175.510 -0.132 0.000 1.019 170 N CA 1.695 54.661 53.050 -0.140 0.000 0.857 170 N CB -0.346 38.151 38.487 0.017 0.000 0.997 170 N HN 0.363 nan 8.380 nan 0.000 0.426 171 R N -0.240 120.213 120.500 -0.078 0.000 2.073 171 R HA -0.001 4.339 4.340 -0.000 0.000 0.229 171 R C 1.790 178.025 176.300 -0.108 0.000 1.120 171 R CA 1.066 57.133 56.100 -0.055 0.000 0.967 171 R CB -0.304 29.987 30.300 -0.015 0.000 0.862 171 R HN 0.109 nan 8.270 nan 0.000 0.436 172 V N 1.157 120.972 119.914 -0.165 0.000 2.332 172 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 172 V C 2.035 177.950 176.094 -0.298 0.000 1.055 172 V CA 1.999 64.185 62.300 -0.189 0.000 1.038 172 V CB -0.643 31.095 31.823 -0.142 0.000 0.651 172 V HN 0.333 nan 8.190 nan 0.000 0.450 173 F N 1.648 121.193 119.950 -0.676 0.000 2.113 173 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 173 F C 2.352 178.004 175.800 -0.248 0.000 1.103 173 F CA 1.937 59.586 58.000 -0.584 0.000 1.248 173 F CB -0.340 38.103 39.000 -0.929 0.000 0.999 173 F HN 0.185 nan 8.300 nan 0.000 0.475 174 N N 0.479 119.108 118.700 -0.118 0.000 2.244 174 N HA -0.174 4.566 4.740 -0.000 0.000 0.183 174 N C 1.762 177.202 175.510 -0.116 0.000 1.016 174 N CA 1.293 54.297 53.050 -0.076 0.000 0.866 174 N CB -0.480 38.032 38.487 0.042 0.000 0.980 174 N HN 0.353 nan 8.380 nan 0.000 0.430 175 E N 0.609 120.743 120.200 -0.110 0.000 2.106 175 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 175 E C 1.886 178.438 176.600 -0.080 0.000 0.984 175 E CA 1.128 57.488 56.400 -0.068 0.000 0.806 175 E CB -0.672 28.999 29.700 -0.048 0.000 0.750 175 E HN 0.350 nan 8.360 nan 0.000 0.458 176 G N 0.087 108.796 108.800 -0.152 0.000 2.402 176 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 176 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 176 G C 1.445 176.294 174.900 -0.085 0.000 1.162 176 G CA 0.921 45.952 45.100 -0.116 0.000 0.777 176 G HN 0.171 nan 8.290 nan 0.000 0.539 177 M N 0.533 120.007 119.600 -0.211 0.000 2.200 177 M HA 0.090 4.570 4.480 -0.000 0.000 0.265 177 M C 2.275 178.575 176.300 -0.000 0.000 1.066 177 M CA 1.016 56.263 55.300 -0.089 0.000 1.127 177 M CB -0.841 31.646 32.600 -0.189 0.000 1.379 177 M HN 0.303 nan 8.290 nan 0.000 0.420 178 K N 0.467 120.852 120.400 -0.024 0.000 2.026 178 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 178 K C 1.798 178.400 176.600 0.003 0.000 1.048 178 K CA 1.255 57.541 56.287 -0.001 0.000 0.929 178 K CB -0.076 32.429 32.500 0.009 0.000 0.713 178 K HN 0.313 nan 8.250 nan 0.000 0.439 179 N N 0.249 118.957 118.700 0.013 0.000 2.104 179 N HA -0.228 4.512 4.740 -0.000 0.000 0.190 179 N C 1.934 177.454 175.510 0.017 0.000 1.024 179 N CA 1.199 54.261 53.050 0.020 0.000 0.853 179 N CB -0.338 38.171 38.487 0.037 0.000 1.008 179 N HN 0.403 nan 8.380 nan 0.000 0.424 180 H N 0.736 119.777 119.070 -0.048 0.000 2.389 180 H HA 0.063 4.619 4.556 -0.000 0.000 0.299 180 H C 1.791 177.016 175.328 -0.170 0.000 1.081 180 H CA 1.081 57.069 56.048 -0.101 0.000 1.345 180 H CB 0.308 30.001 29.762 -0.115 0.000 1.393 180 H HN 0.081 nan 8.280 nan 0.000 0.520 181 S N 0.428 116.097 115.700 -0.052 0.000 2.368 181 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 181 S C 2.399 176.909 174.600 -0.150 0.000 1.029 181 S CA 0.880 59.010 58.200 -0.116 0.000 0.988 181 S CB -0.101 63.062 63.200 -0.062 0.000 0.838 181 S HN 0.352 nan 8.310 nan 0.000 0.462 182 I N 1.224 121.730 120.570 -0.107 0.000 2.264 182 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 182 I C 1.903 177.943 176.117 -0.128 0.000 1.111 182 I CA 1.202 62.443 61.300 -0.098 0.000 1.382 182 I CB -0.349 37.616 38.000 -0.057 0.000 1.060 182 I HN 0.287 nan 8.210 nan 0.000 0.418 183 I N 0.173 120.644 120.570 -0.164 0.000 2.233 183 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 183 I C 2.339 178.310 176.117 -0.244 0.000 1.093 183 I CA 1.013 62.204 61.300 -0.182 0.000 1.380 183 I CB -0.187 37.708 38.000 -0.175 0.000 1.067 183 I HN 0.115 nan 8.210 nan 0.000 0.413 184 I N 0.648 121.013 120.570 -0.341 0.000 2.315 184 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 184 I C 2.571 178.549 176.117 -0.231 0.000 1.117 184 I CA 1.632 62.736 61.300 -0.328 0.000 1.404 184 I CB -1.725 36.011 38.000 -0.439 0.000 1.071 184 I HN 0.222 nan 8.210 nan 0.000 0.419 185 T N 0.828 115.266 114.554 -0.193 0.000 2.833 185 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 185 T C 1.964 176.593 174.700 -0.119 0.000 1.054 185 T CA 1.322 63.342 62.100 -0.134 0.000 1.135 185 T CB -0.091 68.704 68.868 -0.122 0.000 0.869 185 T HN 0.317 nan 8.240 nan 0.000 0.466 186 K N 0.901 121.218 120.400 -0.137 0.000 2.026 186 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 186 K C 2.230 178.739 176.600 -0.153 0.000 1.048 186 K CA 1.018 57.229 56.287 -0.126 0.000 0.929 186 K CB 0.053 32.477 32.500 -0.127 0.000 0.713 186 K HN 0.002 nan 8.250 nan 0.000 0.439 187 K N 0.934 121.211 120.400 -0.205 0.000 2.097 187 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 187 K C 2.117 178.609 176.600 -0.180 0.000 1.050 187 K CA 0.737 56.880 56.287 -0.240 0.000 0.938 187 K CB -0.424 31.876 32.500 -0.335 0.000 0.718 187 K HN 0.177 nan 8.250 nan 0.000 0.442 188 L N 1.205 122.337 121.223 -0.152 0.000 2.017 188 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 188 L C 1.976 178.822 176.870 -0.040 0.000 1.073 188 L CA 1.428 56.209 54.840 -0.098 0.000 0.745 188 L CB -0.447 41.571 42.059 -0.067 0.000 0.894 188 L HN 0.055 nan 8.230 nan 0.000 0.432 189 L N -0.769 120.422 121.223 -0.054 0.000 2.450 189 L HA -0.152 4.188 4.340 -0.000 0.000 0.224 189 L C 2.155 178.929 176.870 -0.159 0.000 1.149 189 L CA 0.881 55.656 54.840 -0.109 0.000 0.816 189 L CB -0.426 41.499 42.059 -0.224 0.000 0.932 189 L HN 0.416 nan 8.230 nan 0.000 0.449 190 E N -0.424 119.696 120.200 -0.133 0.000 2.276 190 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 190 E C 1.751 178.257 176.600 -0.156 0.000 0.983 190 E CA 0.491 56.819 56.400 -0.121 0.000 0.861 190 E CB 0.341 29.974 29.700 -0.112 0.000 0.817 190 E HN 0.483 nan 8.360 nan 0.000 0.485 191 L N -0.891 120.227 121.223 -0.175 0.000 2.781 191 L HA 0.282 4.622 4.340 -0.000 0.000 0.245 191 L C 0.076 176.790 176.870 -0.260 0.000 1.118 191 L CA -0.282 54.442 54.840 -0.193 0.000 0.918 191 L CB 0.313 42.298 42.059 -0.124 0.000 1.246 191 L HN 0.020 nan 8.230 nan 0.000 0.526 192 Y N 0.770 120.824 120.300 -0.409 0.000 2.352 192 Y HA 0.400 4.950 4.550 -0.000 0.000 0.339 192 Y C 0.947 176.556 175.900 -0.486 0.000 0.992 192 Y CA -0.713 57.135 58.100 -0.419 0.000 1.100 192 Y CB 0.735 38.980 38.460 -0.358 0.000 1.192 192 Y HN 0.015 nan 8.280 nan 0.000 0.458 193 H N 3.117 121.715 119.070 -0.787 0.000 2.652 193 H HA 0.178 4.734 4.556 -0.000 0.000 0.274 193 H C 1.808 176.638 175.328 -0.831 0.000 1.021 193 H CA 0.663 56.361 56.048 -0.584 0.000 1.187 193 H CB 0.417 29.988 29.762 -0.318 0.000 1.505 193 H HN 0.990 nan 8.280 nan 0.000 0.530 194 G N 0.186 107.999 108.800 -1.644 0.000 2.501 194 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 194 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 194 G C 1.092 175.682 174.900 -0.516 0.000 1.114 194 G CA 0.229 44.705 45.100 -1.040 0.000 0.757 194 G HN 0.313 nan 8.290 nan 0.000 0.559 195 F N 0.709 120.475 119.950 -0.308 0.000 2.780 195 F HA 0.209 4.736 4.527 -0.000 0.000 0.299 195 F C 1.283 176.718 175.800 -0.608 0.000 1.146 195 F CA -0.421 57.354 58.000 -0.373 0.000 1.428 195 F CB 0.221 38.976 39.000 -0.408 0.000 1.115 195 F HN 0.110 nan 8.300 nan 0.000 0.583 196 E N 0.314 120.314 120.200 -0.334 0.000 2.398 196 E HA 0.198 4.548 4.350 -0.000 0.000 0.263 196 E C 1.181 177.707 176.600 -0.122 0.000 1.046 196 E CA 0.497 56.760 56.400 -0.229 0.000 0.908 196 E CB 0.515 30.190 29.700 -0.042 0.000 0.963 196 E HN 0.326 nan 8.360 nan 0.000 0.431 197 G N 2.208 110.974 108.800 -0.057 0.000 2.203 197 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.263 197 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.263 197 G C 0.102 174.984 174.900 -0.030 0.000 1.012 197 G CA 0.097 45.182 45.100 -0.025 0.000 0.749 197 G HN 0.350 nan 8.290 nan 0.000 0.512 198 L N -0.866 120.324 121.223 -0.054 0.000 2.421 198 L HA 0.628 4.968 4.340 -0.000 0.000 0.263 198 L C 1.694 178.555 176.870 -0.016 0.000 1.122 198 L CA 0.345 55.166 54.840 -0.031 0.000 0.804 198 L CB 1.347 43.382 42.059 -0.039 0.000 1.150 198 L HN 0.170 nan 8.230 nan 0.000 0.457 199 G N -0.042 108.753 108.800 -0.009 0.000 2.710 199 G HA2 0.077 4.037 3.960 -0.000 0.000 0.215 199 G HA3 0.077 4.037 3.960 -0.000 0.000 0.215 199 G C -0.045 174.846 174.900 -0.014 0.000 1.345 199 G CA 0.136 45.232 45.100 -0.006 0.000 0.812 199 G HN 0.483 nan 8.290 nan 0.000 0.606 200 T N 1.557 116.102 114.554 -0.015 0.000 2.772 200 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 200 T C -1.304 173.380 174.700 -0.027 0.000 0.994 200 T CA -0.226 61.859 62.100 -0.024 0.000 0.951 200 T CB 1.958 70.811 68.868 -0.025 0.000 0.933 200 T HN 0.177 nan 8.240 nan 0.000 0.447 201 L N 5.567 126.760 121.223 -0.049 0.000 2.287 201 L HA 0.670 5.010 4.340 -0.000 0.000 0.287 201 L C -0.920 175.912 176.870 -0.064 0.000 1.022 201 L CA -0.546 54.256 54.840 -0.063 0.000 0.814 201 L CB 1.175 43.147 42.059 -0.145 0.000 1.217 201 L HN 0.406 nan 8.230 nan 0.000 0.420 202 V N 4.340 124.229 119.914 -0.040 0.000 2.370 202 V HA 0.361 4.481 4.120 -0.000 0.000 0.283 202 V C -0.613 175.474 176.094 -0.011 0.000 1.023 202 V CA -0.629 61.653 62.300 -0.030 0.000 0.857 202 V CB 1.418 33.214 31.823 -0.045 0.000 0.985 202 V HN 0.696 nan 8.190 nan 0.000 0.443 203 D N 4.295 124.698 120.400 0.005 0.000 2.443 203 D HA 0.279 4.919 4.640 -0.000 0.000 0.221 203 D C -0.317 176.037 176.300 0.091 0.000 1.097 203 D CA -0.124 53.884 54.000 0.014 0.000 0.865 203 D CB 1.519 42.304 40.800 -0.026 0.000 1.034 203 D HN 0.262 nan 8.370 nan 0.000 0.511 204 V N 3.584 123.557 119.914 0.099 0.000 2.470 204 V HA 0.419 4.539 4.120 -0.000 0.000 0.276 204 V C 1.526 177.671 176.094 0.085 0.000 1.040 204 V CA 0.397 62.798 62.300 0.169 0.000 1.008 204 V CB 0.819 32.714 31.823 0.119 0.000 0.990 204 V HN 0.871 nan 8.190 nan 0.000 0.477 205 G N 4.335 113.151 108.800 0.026 0.000 2.198 205 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.257 205 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.257 205 G C 0.928 175.840 174.900 0.020 0.000 1.042 205 G CA 0.276 45.357 45.100 -0.031 0.000 0.791 205 G HN 1.290 nan 8.290 nan 0.000 0.502 206 G N -0.451 108.362 108.800 0.021 0.000 2.535 206 G HA2 0.410 4.370 3.960 -0.000 0.000 0.218 206 G HA3 0.410 4.370 3.960 -0.000 0.000 0.218 206 G C 1.873 176.797 174.900 0.040 0.000 1.122 206 G CA 1.575 46.695 45.100 0.032 0.000 0.769 206 G HN 2.213 nan 8.290 nan 0.000 0.549 207 G N -0.563 108.257 108.800 0.033 0.000 2.527 207 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.268 207 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.268 207 G C 1.271 176.201 174.900 0.050 0.000 1.175 207 G CA 1.601 46.735 45.100 0.057 0.000 0.962 207 G HN 1.295 nan 8.290 nan 0.000 0.560 208 V N -0.937 119.023 119.914 0.077 0.000 3.305 208 V HA 0.427 4.547 4.120 -0.000 0.000 0.269 208 V C 2.268 178.522 176.094 0.267 0.000 1.157 208 V CA 1.898 64.269 62.300 0.119 0.000 1.157 208 V CB -0.551 31.350 31.823 0.130 0.000 0.772 208 V HN 2.962 nan 8.190 nan 0.000 0.498 209 G N -0.863 108.028 108.800 0.150 0.000 2.141 209 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.231 209 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.231 209 G C 0.959 175.642 174.900 -0.363 0.000 0.984 209 G CA 0.478 45.606 45.100 0.046 0.000 0.660 209 G HN 1.318 nan 8.290 nan 0.000 0.525 210 A N -0.151 122.521 122.820 -0.247 0.000 1.877 210 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 210 A C 2.495 179.889 177.584 -0.317 0.000 1.186 210 A CA 2.877 54.705 52.037 -0.350 0.000 0.620 210 A CB -0.934 18.006 19.000 -0.100 0.000 0.822 210 A HN 0.861 nan 8.150 nan 0.000 0.443 211 T N -0.656 113.776 114.554 -0.203 0.000 2.635 211 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 211 T C 1.855 176.419 174.700 -0.226 0.000 1.040 211 T CA 1.743 63.735 62.100 -0.179 0.000 1.156 211 T CB -0.720 68.073 68.868 -0.127 0.000 0.863 211 T HN 0.217 nan 8.240 nan 0.000 0.430 212 V N 1.249 121.020 119.914 -0.238 0.000 2.515 212 V HA -0.064 4.056 4.120 -0.000 0.000 0.250 212 V C 2.619 178.548 176.094 -0.275 0.000 1.058 212 V CA 1.797 63.948 62.300 -0.248 0.000 1.064 212 V CB -1.011 30.696 31.823 -0.192 0.000 0.675 212 V HN 0.533 nan 8.190 nan 0.000 0.461 213 A N -0.013 122.560 122.820 -0.412 0.000 1.877 213 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 213 A C 2.444 179.884 177.584 -0.240 0.000 1.186 213 A CA 2.173 53.944 52.037 -0.443 0.000 0.620 213 A CB -1.057 17.300 19.000 -1.072 0.000 0.822 213 A HN 0.808 nan 8.150 nan 0.000 0.443 214 A N -0.261 122.423 122.820 -0.226 0.000 1.933 214 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 214 A C 2.102 179.649 177.584 -0.062 0.000 1.175 214 A CA 1.577 53.543 52.037 -0.118 0.000 0.628 214 A CB -0.579 18.352 19.000 -0.115 0.000 0.814 214 A HN 0.511 nan 8.150 nan 0.000 0.444 215 I N -0.528 119.978 120.570 -0.106 0.000 2.353 215 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 215 I C 2.860 179.015 176.117 0.063 0.000 1.119 215 I CA 0.865 62.137 61.300 -0.046 0.000 1.417 215 I CB -0.221 37.597 38.000 -0.302 0.000 1.078 215 I HN 0.331 nan 8.210 nan 0.000 0.421 216 A N 0.735 123.538 122.820 -0.028 0.000 1.969 216 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 216 A C 2.523 180.130 177.584 0.040 0.000 1.169 216 A CA 1.581 53.625 52.037 0.012 0.000 0.635 216 A CB -0.633 18.342 19.000 -0.042 0.000 0.810 216 A HN 0.405 nan 8.150 nan 0.000 0.445 217 A N -1.342 121.486 122.820 0.014 0.000 1.898 217 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 217 A C 2.153 179.730 177.584 -0.013 0.000 1.181 217 A CA 1.672 53.711 52.037 0.004 0.000 0.620 217 A CB -0.857 18.140 19.000 -0.004 0.000 0.819 217 A HN 0.693 nan 8.150 nan 0.000 0.442 218 H N -2.035 116.973 119.070 -0.103 0.000 2.428 218 H HA -0.016 4.540 4.556 -0.000 0.000 0.296 218 H C -0.536 174.538 175.328 -0.424 0.000 1.062 218 H CA 1.032 56.923 56.048 -0.262 0.000 1.350 218 H CB 0.037 29.617 29.762 -0.305 0.000 1.403 218 H HN 0.480 nan 8.280 nan 0.000 0.533 219 Y N 0.549 120.926 120.300 0.128 0.000 2.686 219 Y HA 0.274 4.824 4.550 -0.000 0.000 0.331 219 Y C -1.706 174.207 175.900 0.021 0.000 0.996 219 Y CA -2.549 55.603 58.100 0.086 0.000 1.293 219 Y CB 1.490 40.017 38.460 0.112 0.000 1.092 219 Y HN 0.071 nan 8.280 nan 0.000 0.524 220 P HA -0.191 nan 4.420 nan 0.000 0.220 220 P C 1.506 178.843 177.300 0.061 0.000 1.144 220 P CA 1.903 65.033 63.100 0.050 0.000 0.800 220 P CB 0.202 31.909 31.700 0.011 0.000 0.772 221 T N -4.630 109.979 114.554 0.092 0.000 3.148 221 T HA 0.118 4.468 4.350 -0.000 0.000 0.253 221 T C 0.678 175.408 174.700 0.050 0.000 1.134 221 T CA 0.033 62.171 62.100 0.064 0.000 1.051 221 T CB -0.690 68.217 68.868 0.066 0.000 0.959 221 T HN -0.044 nan 8.240 nan 0.000 0.525 222 I N 1.473 122.081 120.570 0.062 0.000 2.440 222 I HA 0.305 4.475 4.170 -0.000 0.000 0.294 222 I C 0.155 176.273 176.117 0.001 0.000 0.995 222 I CA -0.860 60.454 61.300 0.022 0.000 1.306 222 I CB 1.349 39.357 38.000 0.014 0.000 1.407 222 I HN -0.035 nan 8.210 nan 0.000 0.501 223 K N 4.735 125.126 120.400 -0.016 0.000 2.299 223 K HA 0.342 4.662 4.320 -0.000 0.000 0.268 223 K C 0.048 176.623 176.600 -0.042 0.000 1.075 223 K CA -0.345 55.929 56.287 -0.023 0.000 0.936 223 K CB 1.303 33.791 32.500 -0.019 0.000 1.228 223 K HN 0.787 nan 8.250 nan 0.000 0.454 224 G N 1.482 110.250 108.800 -0.054 0.000 2.390 224 G HA2 0.357 4.317 3.960 -0.000 0.000 0.270 224 G HA3 0.357 4.317 3.960 -0.000 0.000 0.270 224 G C -0.554 174.303 174.900 -0.072 0.000 1.211 224 G CA -0.352 44.700 45.100 -0.080 0.000 0.842 224 G HN 0.332 nan 8.290 nan 0.000 0.519 225 V N 2.722 122.599 119.914 -0.061 0.000 2.443 225 V HA 0.229 4.349 4.120 -0.000 0.000 0.293 225 V C -0.347 175.752 176.094 0.008 0.000 1.021 225 V CA -1.109 61.174 62.300 -0.027 0.000 0.848 225 V CB 1.563 33.376 31.823 -0.017 0.000 0.998 225 V HN 0.785 nan 8.190 nan 0.000 0.424 226 N N 3.961 122.680 118.700 0.031 0.000 2.439 226 N HA 0.414 5.154 4.740 -0.000 0.000 0.249 226 N C -1.307 174.338 175.510 0.225 0.000 1.003 226 N CA -0.245 52.871 53.050 0.110 0.000 0.942 226 N CB 0.719 39.301 38.487 0.158 0.000 1.115 226 N HN 0.497 nan 8.380 nan 0.000 0.505 227 F N 3.606 123.566 119.950 0.016 0.000 2.426 227 F HA 0.537 5.064 4.527 -0.000 0.000 0.348 227 F C -0.321 175.466 175.800 -0.021 0.000 1.124 227 F CA -0.517 57.483 58.000 -0.000 0.000 1.008 227 F CB 0.853 39.837 39.000 -0.027 0.000 1.139 227 F HN 0.454 nan 8.300 nan 0.000 0.452 228 D N 3.707 123.708 120.400 -0.665 0.000 2.946 228 D HA 0.334 4.974 4.640 -0.000 0.000 0.337 228 D C -1.129 174.792 176.300 -0.632 0.000 1.332 228 D CA -0.392 53.243 54.000 -0.609 0.000 0.935 228 D CB 1.662 42.291 40.800 -0.286 0.000 1.440 228 D HN 0.459 nan 8.370 nan 0.000 0.540 229 L N 1.607 122.569 121.223 -0.435 0.000 2.439 229 L HA 0.174 4.514 4.340 -0.000 0.000 0.269 229 L C -1.348 175.366 176.870 -0.260 0.000 1.179 229 L CA -1.191 53.459 54.840 -0.317 0.000 0.828 229 L CB 0.565 42.482 42.059 -0.238 0.000 1.106 229 L HN 0.319 nan 8.230 nan 0.000 0.467 230 P HA -0.235 nan 4.420 nan 0.000 0.215 230 P C 1.327 178.595 177.300 -0.054 0.000 1.163 230 P CA 1.745 64.807 63.100 -0.064 0.000 0.894 230 P CB -0.018 31.684 31.700 0.003 0.000 0.791 231 H N -1.734 117.315 119.070 -0.035 0.000 2.421 231 H HA -0.054 4.502 4.556 -0.000 0.000 0.298 231 H C 1.490 176.802 175.328 -0.028 0.000 1.087 231 H CA 1.166 57.200 56.048 -0.023 0.000 1.330 231 H CB -1.317 28.441 29.762 -0.007 0.000 1.388 231 H HN -0.091 nan 8.280 nan 0.000 0.526 232 V N 1.677 121.155 119.914 -0.727 0.000 2.307 232 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 232 V C 2.626 178.573 176.094 -0.245 0.000 1.045 232 V CA 1.889 63.889 62.300 -0.500 0.000 1.024 232 V CB -0.603 30.942 31.823 -0.464 0.000 0.651 232 V HN 0.744 nan 8.190 nan 0.000 0.449 233 I N -0.176 120.258 120.570 -0.227 0.000 2.761 233 I HA -0.053 4.117 4.170 -0.000 0.000 0.261 233 I C 2.378 178.376 176.117 -0.199 0.000 1.198 233 I CA 1.462 62.624 61.300 -0.231 0.000 1.482 233 I CB -0.552 37.356 38.000 -0.152 0.000 1.100 233 I HN 0.324 nan 8.210 nan 0.000 0.445 234 S N 1.805 117.437 115.700 -0.114 0.000 2.507 234 S HA -0.163 4.307 4.470 -0.000 0.000 0.235 234 S C 1.529 176.089 174.600 -0.067 0.000 0.988 234 S CA 1.014 59.176 58.200 -0.063 0.000 0.944 234 S CB -0.670 62.523 63.200 -0.012 0.000 0.762 234 S HN 0.857 nan 8.310 nan 0.000 0.526 235 E N 0.432 120.581 120.200 -0.084 0.000 2.538 235 E HA 0.529 4.879 4.350 -0.000 0.000 0.207 235 E C 0.322 176.863 176.600 -0.098 0.000 1.002 235 E CA -0.176 56.187 56.400 -0.062 0.000 0.952 235 E CB 0.383 30.076 29.700 -0.012 0.000 1.031 235 E HN 0.482 nan 8.360 nan 0.000 0.476 236 A N 3.452 126.155 122.820 -0.196 0.000 2.366 236 A HA 0.412 4.732 4.320 -0.000 0.000 0.272 236 A C -2.036 175.427 177.584 -0.200 0.000 1.135 236 A CA -1.389 50.501 52.037 -0.245 0.000 0.804 236 A CB 0.129 18.765 19.000 -0.606 0.000 1.064 236 A HN 0.123 nan 8.150 nan 0.000 0.499 237 P HA 0.177 nan 4.420 nan 0.000 0.274 237 P C -0.860 176.278 177.300 -0.270 0.000 1.246 237 P CA -0.323 62.635 63.100 -0.237 0.000 0.795 237 P CB 0.596 32.084 31.700 -0.352 0.000 1.006 238 Q N 0.526 120.160 119.800 -0.277 0.000 2.299 238 Q HA 0.443 4.783 4.340 -0.000 0.000 0.246 238 Q C -0.598 175.128 176.000 -0.456 0.000 0.935 238 Q CA 0.255 55.956 55.803 -0.170 0.000 0.887 238 Q CB 0.384 29.078 28.738 -0.072 0.000 1.223 238 Q HN 0.402 nan 8.270 nan 0.000 0.439 239 F N 0.608 120.566 119.950 0.014 0.000 2.588 239 F HA 0.404 4.931 4.527 -0.000 0.000 0.310 239 F C -1.974 173.804 175.800 -0.037 0.000 1.082 239 F CA -2.280 55.711 58.000 -0.015 0.000 0.929 239 F CB 1.441 40.422 39.000 -0.032 0.000 1.254 239 F HN 0.306 nan 8.300 nan 0.000 0.455 240 P HA 0.285 nan 4.420 nan 0.000 0.271 240 P C 0.535 177.870 177.300 0.058 0.000 1.216 240 P CA 0.354 63.501 63.100 0.079 0.000 0.776 240 P CB 0.776 32.512 31.700 0.059 0.000 0.881 241 G N 1.022 109.837 108.800 0.026 0.000 2.175 241 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.265 241 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.265 241 G C -0.010 174.879 174.900 -0.019 0.000 0.979 241 G CA 0.101 45.203 45.100 0.004 0.000 0.663 241 G HN 0.532 nan 8.290 nan 0.000 0.533 242 V N 0.469 120.371 119.914 -0.020 0.000 2.555 242 V HA 0.723 4.843 4.120 -0.000 0.000 0.302 242 V C 0.169 176.180 176.094 -0.139 0.000 1.038 242 V CA -0.268 61.980 62.300 -0.087 0.000 0.887 242 V CB 2.087 33.847 31.823 -0.105 0.000 0.991 242 V HN 0.233 nan 8.190 nan 0.000 0.434 243 T N 3.833 118.301 114.554 -0.143 0.000 2.786 243 T HA 0.433 4.783 4.350 -0.000 0.000 0.283 243 T C -0.507 174.130 174.700 -0.104 0.000 0.992 243 T CA -0.410 61.626 62.100 -0.107 0.000 0.954 243 T CB 0.290 69.141 68.868 -0.029 0.000 0.934 243 T HN 0.589 nan 8.240 nan 0.000 0.440 244 H N 2.133 121.249 119.070 0.076 0.000 2.690 244 H HA 0.443 4.999 4.556 -0.000 0.000 0.314 244 H C -0.280 175.100 175.328 0.086 0.000 1.069 244 H CA -0.186 55.909 56.048 0.079 0.000 1.436 244 H CB 0.900 30.702 29.762 0.066 0.000 1.462 244 H HN 0.256 nan 8.280 nan 0.000 0.511 245 V N 2.619 122.689 119.914 0.259 0.000 2.656 245 V HA 0.505 4.625 4.120 -0.000 0.000 0.307 245 V C 0.645 176.895 176.094 0.259 0.000 1.051 245 V CA -0.930 61.534 62.300 0.274 0.000 0.893 245 V CB 2.213 34.230 31.823 0.324 0.000 0.999 245 V HN 0.915 nan 8.190 nan 0.000 0.426 246 G N 1.306 110.209 108.800 0.172 0.000 2.420 246 G HA2 0.848 4.808 3.960 -0.000 0.000 0.331 246 G HA3 0.848 4.808 3.960 -0.000 0.000 0.331 246 G C -0.158 174.803 174.900 0.102 0.000 1.168 246 G CA -0.028 45.073 45.100 0.002 0.000 0.936 246 G HN 1.308 nan 8.290 nan 0.000 0.479 247 G N -0.117 108.612 108.800 -0.118 0.000 2.336 247 G HA2 0.388 4.348 3.960 -0.000 0.000 0.286 247 G HA3 0.388 4.348 3.960 -0.000 0.000 0.286 247 G C -2.087 172.781 174.900 -0.052 0.000 1.269 247 G CA -0.467 44.685 45.100 0.087 0.000 0.873 247 G HN 0.690 nan 8.290 nan 0.000 0.494 248 D N 0.777 121.256 120.400 0.132 0.000 2.462 248 D HA 0.344 4.984 4.640 -0.000 0.000 0.245 248 D C 1.850 178.213 176.300 0.104 0.000 1.122 248 D CA -0.518 53.512 54.000 0.050 0.000 0.864 248 D CB 1.109 41.958 40.800 0.081 0.000 1.098 248 D HN 0.578 nan 8.370 nan 0.000 0.541 249 M N 1.226 120.815 119.600 -0.018 0.000 2.346 249 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 249 M C 0.374 176.503 176.300 -0.284 0.000 1.064 249 M CA 1.366 56.638 55.300 -0.048 0.000 1.083 249 M CB -0.419 32.042 32.600 -0.232 0.000 1.399 249 M HN 0.096 nan 8.290 nan 0.000 0.435 250 F N 1.299 121.211 119.950 -0.064 0.000 2.661 250 F HA 0.133 4.660 4.527 -0.000 0.000 0.298 250 F C 2.141 177.927 175.800 -0.024 0.000 1.137 250 F CA 0.859 58.803 58.000 -0.094 0.000 1.454 250 F CB -0.311 38.572 39.000 -0.194 0.000 1.103 250 F HN 0.165 nan 8.300 nan 0.000 0.577 251 K N -0.425 120.052 120.400 0.128 0.000 2.172 251 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 251 K C 0.452 177.088 176.600 0.060 0.000 1.040 251 K CA 0.527 56.872 56.287 0.097 0.000 0.974 251 K CB 0.582 33.137 32.500 0.090 0.000 0.857 251 K HN 0.097 nan 8.250 nan 0.000 0.464 252 E N 0.448 120.675 120.200 0.045 0.000 2.380 252 E HA 0.218 4.568 4.350 -0.000 0.000 0.281 252 E C -1.790 174.743 176.600 -0.113 0.000 0.999 252 E CA -0.728 55.662 56.400 -0.017 0.000 0.800 252 E CB 2.146 31.834 29.700 -0.020 0.000 1.228 252 E HN -0.038 nan 8.360 nan 0.000 0.436 253 V N 0.182 119.966 119.914 -0.217 0.000 2.769 253 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 253 V C -2.630 173.184 176.094 -0.466 0.000 1.061 253 V CA -2.219 59.789 62.300 -0.486 0.000 0.931 253 V CB 1.068 32.731 31.823 -0.265 0.000 1.010 253 V HN 0.579 nan 8.190 nan 0.000 0.433 254 P HA 0.235 nan 4.420 nan 0.000 0.268 254 P C -0.100 177.073 177.300 -0.212 0.000 1.208 254 P CA 0.314 63.191 63.100 -0.372 0.000 0.777 254 P CB 0.416 31.895 31.700 -0.368 0.000 0.875 255 S N 0.374 115.992 115.700 -0.137 0.000 2.580 255 S HA 0.646 5.116 4.470 -0.000 0.000 0.274 255 S C 0.447 175.004 174.600 -0.071 0.000 1.329 255 S CA 0.343 58.489 58.200 -0.089 0.000 1.036 255 S CB 0.586 63.745 63.200 -0.068 0.000 0.919 255 S HN 0.729 nan 8.310 nan 0.000 0.515 256 G N 0.781 109.551 108.800 -0.051 0.000 2.495 256 G HA2 0.353 4.313 3.960 -0.000 0.000 0.294 256 G HA3 0.353 4.313 3.960 -0.000 0.000 0.294 256 G C -0.685 174.205 174.900 -0.016 0.000 1.397 256 G CA -0.588 44.492 45.100 -0.034 0.000 0.790 256 G HN 0.521 nan 8.290 nan 0.000 0.486 257 D N -0.610 119.788 120.400 -0.003 0.000 2.240 257 D HA 0.133 4.773 4.640 -0.000 0.000 0.206 257 D C 0.452 176.775 176.300 0.038 0.000 0.963 257 D CA 1.279 55.287 54.000 0.014 0.000 0.863 257 D CB 0.666 41.475 40.800 0.015 0.000 0.973 257 D HN 0.244 nan 8.370 nan 0.000 0.501 258 T N 0.636 115.217 114.554 0.044 0.000 2.952 258 T HA 0.499 4.849 4.350 -0.000 0.000 0.305 258 T C -0.378 174.358 174.700 0.060 0.000 1.064 258 T CA -0.494 61.653 62.100 0.078 0.000 1.008 258 T CB 2.335 71.286 68.868 0.138 0.000 1.078 258 T HN -0.166 nan 8.240 nan 0.000 0.459 259 I N 3.162 123.768 120.570 0.060 0.000 2.404 259 I HA 0.542 4.712 4.170 -0.000 0.000 0.293 259 I C -1.027 175.109 176.117 0.031 0.000 0.992 259 I CA -1.025 60.295 61.300 0.033 0.000 1.149 259 I CB 1.835 39.851 38.000 0.027 0.000 1.315 259 I HN 0.329 nan 8.210 nan 0.000 0.446 260 L N 7.731 128.969 121.223 0.024 0.000 2.341 260 L HA 0.631 4.971 4.340 -0.000 0.000 0.278 260 L C -1.081 175.785 176.870 -0.006 0.000 1.005 260 L CA -0.164 54.687 54.840 0.018 0.000 0.818 260 L CB 1.459 43.537 42.059 0.032 0.000 1.259 260 L HN 0.536 nan 8.230 nan 0.000 0.418 261 M N 5.870 125.450 119.600 -0.033 0.000 2.060 261 M HA 0.356 4.836 4.480 -0.000 0.000 0.275 261 M C -0.980 175.319 176.300 -0.001 0.000 0.919 261 M CA -0.452 54.849 55.300 0.001 0.000 0.970 261 M CB 1.632 34.236 32.600 0.006 0.000 1.670 261 M HN 0.517 nan 8.290 nan 0.000 0.440 262 K N 2.937 123.353 120.400 0.026 0.000 2.263 262 K HA 0.188 4.508 4.320 -0.000 0.000 0.272 262 K C -0.688 176.018 176.600 0.177 0.000 1.033 262 K CA 0.008 56.302 56.287 0.012 0.000 0.884 262 K CB 0.823 33.289 32.500 -0.057 0.000 1.107 262 K HN 0.684 nan 8.250 nan 0.000 0.460 263 W N 4.029 125.270 121.300 -0.099 0.000 4.435 263 W HA -0.250 4.410 4.660 -0.000 0.000 0.351 263 W C 0.034 176.621 176.519 0.114 0.000 1.319 263 W CA 0.056 57.271 57.345 -0.217 0.000 0.791 263 W CB -1.795 27.584 29.460 -0.135 0.000 2.419 263 W HN 0.583 nan 8.180 nan 0.000 1.406 264 I N -1.040 119.742 120.570 0.353 0.000 2.681 264 I HA -0.119 4.051 4.170 -0.000 0.000 0.247 264 I C 2.496 178.948 176.117 0.558 0.000 1.091 264 I CA 0.699 62.254 61.300 0.424 0.000 1.442 264 I CB -1.393 36.770 38.000 0.272 0.000 1.219 264 I HN -0.096 nan 8.210 nan 0.000 0.451 265 L N 1.114 122.610 121.223 0.455 0.000 2.012 265 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 265 L C 2.653 179.839 176.870 0.526 0.000 1.073 265 L CA 2.134 57.278 54.840 0.506 0.000 0.748 265 L CB -1.278 41.057 42.059 0.460 0.000 0.891 265 L HN 0.522 nan 8.230 nan 0.000 0.431 266 H N -1.604 117.641 119.070 0.293 0.000 2.557 266 H HA -0.131 4.425 4.556 -0.000 0.000 0.287 266 H C 1.051 176.411 175.328 0.053 0.000 1.043 266 H CA 0.832 56.973 56.048 0.155 0.000 1.226 266 H CB -0.168 29.654 29.762 0.100 0.000 1.361 266 H HN 0.352 nan 8.280 nan 0.000 0.592 267 D N -0.216 120.293 120.400 0.182 0.000 2.333 267 D HA 0.014 4.654 4.640 -0.000 0.000 0.208 267 D C -0.249 175.781 176.300 -0.450 0.000 0.984 267 D CA 0.427 54.273 54.000 -0.256 0.000 0.873 267 D CB 0.147 40.796 40.800 -0.252 0.000 0.935 267 D HN 0.444 nan 8.370 nan 0.000 0.521 268 W N 0.760 122.197 121.300 0.227 0.000 2.820 268 W HA 0.357 5.018 4.660 0.000 0.000 0.350 268 W C 0.539 177.176 176.519 0.196 0.000 1.116 268 W CA -0.985 56.520 57.345 0.267 0.000 1.146 268 W CB 0.466 30.167 29.460 0.401 0.000 1.433 268 W HN -0.363 nan 8.180 nan 0.000 0.561 269 S N 0.168 116.143 115.700 0.459 0.000 2.600 269 S HA 0.041 4.511 4.470 -0.000 0.000 0.265 269 S C 0.714 175.417 174.600 0.172 0.000 1.325 269 S CA -0.174 58.139 58.200 0.189 0.000 1.002 269 S CB 0.854 64.070 63.200 0.028 0.000 0.921 269 S HN 0.529 nan 8.310 nan 0.000 0.554 270 D N 1.339 121.790 120.400 0.085 0.000 2.158 270 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 270 D C 1.935 178.276 176.300 0.068 0.000 0.995 270 D CA 1.660 55.709 54.000 0.080 0.000 0.846 270 D CB -0.322 40.501 40.800 0.037 0.000 0.941 270 D HN 0.619 nan 8.370 nan 0.000 0.456 271 Q N 0.016 119.806 119.800 -0.017 0.000 2.030 271 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 271 Q C 2.079 178.068 176.000 -0.018 0.000 0.986 271 Q CA 1.343 57.104 55.803 -0.070 0.000 0.843 271 Q CB -0.729 27.889 28.738 -0.201 0.000 0.904 271 Q HN 0.614 nan 8.270 nan 0.000 0.420 272 H N -1.456 117.643 119.070 0.049 0.000 2.387 272 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 272 H C 2.000 177.451 175.328 0.205 0.000 1.090 272 H CA 0.954 56.980 56.048 -0.036 0.000 1.332 272 H CB -0.029 29.640 29.762 -0.155 0.000 1.386 272 H HN 0.258 nan 8.280 nan 0.000 0.516 273 C N 0.524 120.039 119.300 0.358 0.000 2.425 273 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 273 C C 3.077 178.223 174.990 0.262 0.000 1.280 273 C CA 0.891 60.105 59.018 0.325 0.000 1.744 273 C CB -0.976 26.945 27.740 0.302 0.000 1.989 273 C HN 0.687 nan 8.230 nan 0.000 0.491 274 A N 0.199 123.141 122.820 0.202 0.000 1.898 274 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 274 A C 2.199 179.886 177.584 0.171 0.000 1.181 274 A CA 2.453 54.589 52.037 0.165 0.000 0.620 274 A CB -1.084 17.978 19.000 0.104 0.000 0.819 274 A HN 0.552 nan 8.150 nan 0.000 0.442 275 T N 0.210 114.874 114.554 0.183 0.000 2.708 275 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 275 T C 1.850 176.680 174.700 0.216 0.000 1.037 275 T CA 1.564 63.780 62.100 0.192 0.000 1.146 275 T CB -0.401 68.601 68.868 0.223 0.000 0.865 275 T HN 0.307 nan 8.240 nan 0.000 0.435 276 L N 0.994 122.372 121.223 0.258 0.000 2.017 276 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 276 L C 2.166 179.128 176.870 0.154 0.000 1.073 276 L CA 1.611 56.521 54.840 0.116 0.000 0.745 276 L CB -0.849 41.221 42.059 0.019 0.000 0.894 276 L HN 0.252 nan 8.230 nan 0.000 0.432 277 L N -0.623 120.739 121.223 0.232 0.000 2.141 277 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 277 L C 2.561 179.657 176.870 0.377 0.000 1.094 277 L CA 1.274 56.317 54.840 0.338 0.000 0.763 277 L CB -0.571 41.730 42.059 0.405 0.000 0.908 277 L HN 0.280 nan 8.230 nan 0.000 0.437 278 K N 0.622 121.170 120.400 0.246 0.000 2.057 278 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 278 K C 1.813 178.528 176.600 0.191 0.000 1.049 278 K CA 1.454 57.846 56.287 0.176 0.000 0.931 278 K CB -0.210 32.346 32.500 0.094 0.000 0.714 278 K HN 0.184 nan 8.250 nan 0.000 0.440 279 N N 0.191 118.982 118.700 0.152 0.000 2.120 279 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 279 N C 1.881 177.459 175.510 0.113 0.000 1.024 279 N CA 1.480 54.592 53.050 0.103 0.000 0.852 279 N CB -0.808 37.712 38.487 0.056 0.000 1.003 279 N HN 0.237 nan 8.380 nan 0.000 0.424 280 C N 0.345 119.746 119.300 0.168 0.000 2.436 280 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 280 C C 2.499 177.628 174.990 0.232 0.000 1.241 280 C CA 0.199 59.328 59.018 0.185 0.000 1.721 280 C CB -1.389 26.504 27.740 0.256 0.000 2.043 280 C HN 0.471 nan 8.230 nan 0.000 0.472 281 Y N 2.084 122.514 120.300 0.217 0.000 2.181 281 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 281 Y C 2.035 177.911 175.900 -0.040 0.000 1.179 281 Y CA 2.215 60.322 58.100 0.011 0.000 1.179 281 Y CB -0.339 37.982 38.460 -0.232 0.000 0.973 281 Y HN 0.391 nan 8.280 nan 0.000 0.519 282 D N -0.545 119.954 120.400 0.165 0.000 2.317 282 D HA -0.012 4.628 4.640 -0.000 0.000 0.211 282 D C 1.889 178.183 176.300 -0.011 0.000 0.966 282 D CA 1.074 55.120 54.000 0.076 0.000 0.876 282 D CB -0.202 40.651 40.800 0.090 0.000 0.927 282 D HN 0.477 nan 8.370 nan 0.000 0.519 283 A N -0.107 122.705 122.820 -0.013 0.000 2.195 283 A HA 0.186 4.506 4.320 -0.000 0.000 0.210 283 A C 1.013 178.564 177.584 -0.057 0.000 1.165 283 A CA -0.006 52.006 52.037 -0.042 0.000 0.806 283 A CB 0.074 19.044 19.000 -0.051 0.000 0.847 283 A HN 0.102 nan 8.150 nan 0.000 0.482 284 L N 1.168 122.344 121.223 -0.078 0.000 2.360 284 L HA 0.354 4.694 4.340 -0.000 0.000 0.271 284 L C -1.915 174.869 176.870 -0.145 0.000 1.057 284 L CA -2.311 52.475 54.840 -0.089 0.000 0.803 284 L CB 1.305 43.325 42.059 -0.064 0.000 1.207 284 L HN 0.107 nan 8.230 nan 0.000 0.445 285 P HA 0.095 nan 4.420 nan 0.000 0.289 285 P C 0.120 177.309 177.300 -0.184 0.000 1.299 285 P CA -0.365 62.666 63.100 -0.114 0.000 0.766 285 P CB 0.748 32.415 31.700 -0.054 0.000 1.226 286 A N -0.031 122.657 122.820 -0.219 0.000 1.948 286 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 286 A C 1.546 178.866 177.584 -0.439 0.000 1.177 286 A CA 1.641 53.458 52.037 -0.367 0.000 0.636 286 A CB -1.387 17.340 19.000 -0.454 0.000 0.815 286 A HN 0.609 nan 8.150 nan 0.000 0.449 287 H N -1.061 117.988 119.070 -0.036 0.000 2.528 287 H HA 0.297 4.853 4.556 -0.000 0.000 0.282 287 H C 1.072 176.408 175.328 0.014 0.000 1.097 287 H CA 0.048 56.094 56.048 -0.003 0.000 1.121 287 H CB -0.462 29.303 29.762 0.004 0.000 1.590 287 H HN 0.432 nan 8.280 nan 0.000 0.553 288 G N 1.195 110.035 108.800 0.068 0.000 2.616 288 G HA2 0.381 4.341 3.960 -0.000 0.000 0.268 288 G HA3 0.381 4.341 3.960 -0.000 0.000 0.268 288 G C 0.015 174.999 174.900 0.141 0.000 1.213 288 G CA -0.479 44.668 45.100 0.077 0.000 0.926 288 G HN 0.317 nan 8.290 nan 0.000 0.523 289 K N -1.976 118.511 120.400 0.145 0.000 2.509 289 K HA 0.681 5.001 4.320 -0.000 0.000 0.266 289 K C -1.802 174.863 176.600 0.108 0.000 0.987 289 K CA -0.963 55.431 56.287 0.178 0.000 0.868 289 K CB 2.154 34.739 32.500 0.142 0.000 1.421 289 K HN 0.272 nan 8.250 nan 0.000 0.444 290 V N 1.609 121.527 119.914 0.006 0.000 2.459 290 V HA 0.393 4.513 4.120 -0.000 0.000 0.295 290 V C -0.969 174.984 176.094 -0.236 0.000 1.029 290 V CA -0.761 61.459 62.300 -0.134 0.000 0.874 290 V CB 1.743 33.384 31.823 -0.303 0.000 0.985 290 V HN 0.573 nan 8.190 nan 0.000 0.438 291 V N 6.682 126.481 119.914 -0.192 0.000 2.407 291 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 291 V C -0.277 175.639 176.094 -0.296 0.000 1.018 291 V CA -0.458 61.685 62.300 -0.262 0.000 0.842 291 V CB 1.530 33.238 31.823 -0.192 0.000 0.996 291 V HN 0.616 nan 8.190 nan 0.000 0.426 292 L N 5.004 125.976 121.223 -0.418 0.000 2.322 292 L HA 0.695 5.035 4.340 -0.000 0.000 0.279 292 L C -0.571 176.124 176.870 -0.292 0.000 1.036 292 L CA -0.904 53.727 54.840 -0.349 0.000 0.807 292 L CB 2.027 43.798 42.059 -0.480 0.000 1.226 292 L HN 0.319 nan 8.230 nan 0.000 0.433 293 V N 2.808 122.604 119.914 -0.196 0.000 2.350 293 V HA 0.483 4.603 4.120 -0.000 0.000 0.285 293 V C -0.208 175.820 176.094 -0.110 0.000 1.014 293 V CA -0.482 61.709 62.300 -0.182 0.000 0.831 293 V CB 1.197 32.902 31.823 -0.197 0.000 1.000 293 V HN 0.739 nan 8.190 nan 0.000 0.433 294 Q N 2.046 121.812 119.800 -0.056 0.000 2.648 294 Q HA 0.503 4.843 4.340 -0.000 0.000 0.300 294 Q C -1.171 174.949 176.000 0.199 0.000 0.954 294 Q CA -0.532 55.326 55.803 0.092 0.000 0.757 294 Q CB 2.525 31.293 28.738 0.050 0.000 1.482 294 Q HN 0.652 nan 8.270 nan 0.000 0.437 295 C N 0.761 120.249 119.300 0.314 0.000 2.422 295 C HA 0.683 5.143 4.460 -0.000 0.000 0.364 295 C C 0.324 175.471 174.990 0.262 0.000 1.251 295 C CA -0.304 58.918 59.018 0.340 0.000 2.441 295 C CB -0.028 27.910 27.740 0.329 0.000 2.393 295 C HN 0.523 nan 8.230 nan 0.000 0.606 296 I N 1.792 122.466 120.570 0.172 0.000 2.499 296 I HA 0.277 4.447 4.170 -0.000 0.000 0.288 296 I C -0.553 175.565 176.117 0.001 0.000 1.048 296 I CA -0.327 60.988 61.300 0.026 0.000 1.062 296 I CB 1.148 38.913 38.000 -0.391 0.000 1.238 296 I HN 0.439 nan 8.210 nan 0.000 0.426 297 L N 7.924 129.079 121.223 -0.114 0.000 2.499 297 L HA 0.178 4.518 4.340 -0.000 0.000 0.273 297 L C -1.910 174.962 176.870 0.003 0.000 1.195 297 L CA -1.283 53.419 54.840 -0.231 0.000 0.882 297 L CB 0.136 41.626 42.059 -0.949 0.000 1.133 297 L HN 0.292 nan 8.230 nan 0.000 0.483 298 P HA 0.083 nan 4.420 nan 0.000 0.279 298 P C 0.583 178.067 177.300 0.306 0.000 1.239 298 P CA -0.446 62.757 63.100 0.172 0.000 0.789 298 P CB 1.832 33.589 31.700 0.095 0.000 0.933 299 V N 2.689 122.746 119.914 0.239 0.000 2.407 299 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 299 V C 0.862 177.044 176.094 0.148 0.000 1.041 299 V CA 1.683 64.095 62.300 0.187 0.000 1.040 299 V CB -1.212 30.667 31.823 0.094 0.000 0.671 299 V HN 0.558 nan 8.190 nan 0.000 0.455 300 N N 0.626 119.398 118.700 0.121 0.000 3.105 300 N HA 0.358 5.098 4.740 -0.000 0.000 0.256 300 N C -2.650 172.923 175.510 0.105 0.000 1.174 300 N CA -0.891 52.218 53.050 0.098 0.000 1.030 300 N CB 0.656 39.182 38.487 0.066 0.000 1.305 300 N HN 0.408 nan 8.380 nan 0.000 0.509 301 P HA 0.225 nan 4.420 nan 0.000 0.274 301 P C 0.049 177.419 177.300 0.116 0.000 1.256 301 P CA -0.215 62.974 63.100 0.149 0.000 0.795 301 P CB 1.127 33.015 31.700 0.313 0.000 1.038 302 E N -0.618 119.639 120.200 0.096 0.000 2.713 302 E HA 0.309 4.659 4.350 -0.000 0.000 0.199 302 E C -0.597 176.049 176.600 0.076 0.000 0.940 302 E CA 0.057 56.503 56.400 0.075 0.000 1.310 302 E CB 0.499 30.224 29.700 0.042 0.000 1.129 302 E HN 0.524 nan 8.360 nan 0.000 0.557 303 A N 2.436 125.319 122.820 0.104 0.000 2.429 303 A HA -0.199 4.121 4.320 -0.000 0.000 0.290 303 A C -0.295 177.319 177.584 0.050 0.000 1.439 303 A CA 1.074 53.174 52.037 0.104 0.000 0.731 303 A CB -2.200 16.869 19.000 0.114 0.000 1.138 303 A HN 0.476 nan 8.150 nan 0.000 0.384 304 N N -0.780 117.927 118.700 0.011 0.000 2.629 304 N HA 0.778 5.518 4.740 -0.000 0.000 0.279 304 N C -1.657 173.825 175.510 -0.048 0.000 1.344 304 N CA -1.745 51.298 53.050 -0.013 0.000 0.789 304 N CB 0.527 39.000 38.487 -0.023 0.000 1.508 304 N HN 0.030 nan 8.380 nan 0.000 0.516 305 P HA -0.185 nan 4.420 nan 0.000 0.220 305 P C 1.017 178.239 177.300 -0.130 0.000 1.144 305 P CA 1.342 64.387 63.100 -0.091 0.000 0.800 305 P CB 0.351 32.009 31.700 -0.070 0.000 0.772 306 S N 0.484 116.115 115.700 -0.115 0.000 2.325 306 S HA -0.099 4.371 4.470 -0.000 0.000 0.214 306 S C 2.277 176.764 174.600 -0.189 0.000 1.031 306 S CA 1.856 59.982 58.200 -0.124 0.000 0.972 306 S CB -1.006 62.137 63.200 -0.096 0.000 0.908 306 S HN 0.332 nan 8.310 nan 0.000 0.453 307 S N 1.224 116.792 115.700 -0.222 0.000 2.368 307 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 307 S C 1.989 176.180 174.600 -0.682 0.000 1.030 307 S CA 1.329 59.255 58.200 -0.457 0.000 0.999 307 S CB -0.960 62.067 63.200 -0.288 0.000 0.844 307 S HN 0.699 nan 8.310 nan 0.000 0.459 308 Q N 1.150 120.776 119.800 -0.290 0.000 2.124 308 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 308 Q C 2.488 178.308 176.000 -0.301 0.000 0.977 308 Q CA 1.219 56.948 55.803 -0.123 0.000 0.850 308 Q CB -0.798 27.907 28.738 -0.056 0.000 0.901 308 Q HN 0.765 nan 8.270 nan 0.000 0.429 309 G N 0.425 109.011 108.800 -0.355 0.000 2.440 309 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 309 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 309 G C 1.482 176.322 174.900 -0.101 0.000 1.154 309 G CA 0.876 45.792 45.100 -0.306 0.000 0.767 309 G HN 0.229 nan 8.290 nan 0.000 0.552 310 V N 0.348 120.164 119.914 -0.162 0.000 2.667 310 V HA -0.016 4.104 4.120 -0.000 0.000 0.252 310 V C 2.358 178.493 176.094 0.068 0.000 1.065 310 V CA 0.968 63.226 62.300 -0.069 0.000 1.083 310 V CB -0.555 31.163 31.823 -0.174 0.000 0.692 310 V HN 0.267 nan 8.190 nan 0.000 0.468 311 F N -0.375 119.635 119.950 0.101 0.000 2.367 311 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 311 F C 2.288 178.205 175.800 0.195 0.000 1.094 311 F CA 0.564 58.637 58.000 0.122 0.000 1.409 311 F CB -1.161 37.913 39.000 0.122 0.000 1.064 311 F HN 0.292 nan 8.300 nan 0.000 0.528 312 H N -0.696 118.500 119.070 0.210 0.000 2.293 312 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 312 H C 2.300 177.703 175.328 0.124 0.000 1.082 312 H CA 1.647 57.784 56.048 0.147 0.000 1.308 312 H CB -0.127 29.699 29.762 0.106 0.000 1.375 312 H HN 0.002 nan 8.280 nan 0.000 0.495 313 V N 1.002 121.062 119.914 0.244 0.000 2.392 313 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 313 V C 2.005 178.125 176.094 0.043 0.000 1.059 313 V CA 2.106 64.468 62.300 0.104 0.000 1.051 313 V CB -0.503 31.383 31.823 0.106 0.000 0.658 313 V HN 0.451 nan 8.190 nan 0.000 0.455 314 D N -0.352 120.116 120.400 0.112 0.000 2.104 314 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 314 D C 2.103 178.414 176.300 0.018 0.000 0.994 314 D CA 1.459 55.499 54.000 0.067 0.000 0.830 314 D CB -0.094 40.793 40.800 0.145 0.000 0.959 314 D HN 0.176 nan 8.370 nan 0.000 0.452 315 M N -0.061 119.588 119.600 0.083 0.000 2.229 315 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 315 M C 2.238 178.525 176.300 -0.021 0.000 1.063 315 M CA 0.761 56.109 55.300 0.080 0.000 1.114 315 M CB -0.605 32.123 32.600 0.213 0.000 1.387 315 M HN 0.250 nan 8.290 nan 0.000 0.420 316 I N -0.383 120.185 120.570 -0.003 0.000 2.252 316 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 316 I C 2.320 178.247 176.117 -0.316 0.000 1.102 316 I CA 0.877 62.101 61.300 -0.126 0.000 1.385 316 I CB -0.266 37.748 38.000 0.023 0.000 1.064 316 I HN 0.217 nan 8.210 nan 0.000 0.414 317 M N -0.156 119.284 119.600 -0.266 0.000 2.117 317 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 317 M C 2.400 178.514 176.300 -0.309 0.000 1.065 317 M CA 1.629 56.732 55.300 -0.328 0.000 1.114 317 M CB -1.241 31.165 32.600 -0.323 0.000 1.361 317 M HN 0.248 nan 8.290 nan 0.000 0.408 318 L N 0.807 121.872 121.223 -0.264 0.000 2.046 318 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 318 L C 2.455 179.103 176.870 -0.369 0.000 1.077 318 L CA 2.109 56.803 54.840 -0.245 0.000 0.747 318 L CB -0.989 40.969 42.059 -0.167 0.000 0.896 318 L HN 0.232 nan 8.230 nan 0.000 0.432 319 A N -1.696 120.754 122.820 -0.617 0.000 1.930 319 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 319 A C 1.915 179.052 177.584 -0.744 0.000 1.175 319 A CA 1.787 53.261 52.037 -0.939 0.000 0.627 319 A CB -0.620 17.298 19.000 -1.803 0.000 0.815 319 A HN 0.723 nan 8.150 nan 0.000 0.443 320 H N -1.937 116.919 119.070 -0.358 0.000 2.927 320 H HA 0.206 4.762 4.556 -0.000 0.000 0.255 320 H C -0.202 174.852 175.328 -0.456 0.000 0.974 320 H CA -0.213 55.619 56.048 -0.359 0.000 1.199 320 H CB 0.022 29.509 29.762 -0.458 0.000 1.447 320 H HN 0.333 nan 8.280 nan 0.000 0.467 321 N N 2.242 120.737 118.700 -0.343 0.000 2.472 321 N HA 0.209 4.949 4.740 -0.000 0.000 0.289 321 N C -2.502 172.811 175.510 -0.329 0.000 1.156 321 N CA -1.816 50.967 53.050 -0.445 0.000 0.940 321 N CB 1.261 39.430 38.487 -0.531 0.000 1.200 321 N HN -0.098 nan 8.380 nan 0.000 0.511 322 P HA 0.152 nan 4.420 nan 0.000 0.244 322 P C 0.506 177.829 177.300 0.039 0.000 1.723 322 P CA 0.400 63.426 63.100 -0.124 0.000 1.110 322 P CB -0.290 31.358 31.700 -0.087 0.000 1.972 323 G N 1.397 110.189 108.800 -0.012 0.000 2.175 323 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 323 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 323 G C 0.627 175.532 174.900 0.008 0.000 0.982 323 G CA -0.407 44.712 45.100 0.033 0.000 0.641 323 G HN 0.745 nan 8.290 nan 0.000 0.527 324 G N 0.288 109.035 108.800 -0.090 0.000 2.391 324 G HA2 0.558 4.518 3.960 -0.000 0.000 0.234 324 G HA3 0.558 4.518 3.960 -0.000 0.000 0.234 324 G C 0.292 175.134 174.900 -0.097 0.000 1.284 324 G CA 0.861 45.885 45.100 -0.127 0.000 0.873 324 G HN 1.541 nan 8.290 nan 0.000 0.549 325 R N 0.622 121.092 120.500 -0.050 0.000 2.687 325 R HA 0.325 4.665 4.340 -0.000 0.000 0.265 325 R C -1.399 174.915 176.300 0.024 0.000 1.048 325 R CA -1.007 55.076 56.100 -0.028 0.000 0.884 325 R CB 1.027 31.319 30.300 -0.014 0.000 1.258 325 R HN 0.351 nan 8.270 nan 0.000 0.469 326 E N 1.830 122.049 120.200 0.030 0.000 2.349 326 E HA 0.395 4.745 4.350 -0.000 0.000 0.262 326 E C -0.447 176.116 176.600 -0.061 0.000 1.088 326 E CA -0.483 55.956 56.400 0.065 0.000 0.899 326 E CB 1.104 30.855 29.700 0.085 0.000 1.044 326 E HN 0.404 nan 8.360 nan 0.000 0.420 327 R N 0.936 121.368 120.500 -0.113 0.000 2.795 327 R HA 0.376 4.716 4.340 -0.000 0.000 0.275 327 R C -0.696 175.466 176.300 -0.230 0.000 0.981 327 R CA -0.817 55.099 56.100 -0.306 0.000 0.917 327 R CB 1.163 31.005 30.300 -0.764 0.000 1.202 327 R HN 0.397 nan 8.270 nan 0.000 0.469 328 Y N 0.853 121.132 120.300 -0.036 0.000 2.300 328 Y HA -0.020 4.530 4.550 -0.000 0.000 0.328 328 Y C 1.887 177.853 175.900 0.110 0.000 1.270 328 Y CA 0.033 58.161 58.100 0.046 0.000 1.352 328 Y CB 0.683 39.157 38.460 0.024 0.000 1.286 328 Y HN 0.722 nan 8.280 nan 0.000 0.536 329 E N 1.486 121.851 120.200 0.274 0.000 2.070 329 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 329 E C 1.948 178.681 176.600 0.221 0.000 1.004 329 E CA 2.052 58.593 56.400 0.234 0.000 0.805 329 E CB 0.038 29.766 29.700 0.046 0.000 0.744 329 E HN 0.769 nan 8.360 nan 0.000 0.451 330 R N 0.353 120.945 120.500 0.154 0.000 2.096 330 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 330 R C 1.979 178.332 176.300 0.087 0.000 1.127 330 R CA 1.724 57.881 56.100 0.096 0.000 0.968 330 R CB -0.493 29.837 30.300 0.050 0.000 0.861 330 R HN 0.230 nan 8.270 nan 0.000 0.440 331 E N 0.245 120.494 120.200 0.082 0.000 2.204 331 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 331 E C 1.513 178.102 176.600 -0.019 0.000 0.989 331 E CA 0.915 57.313 56.400 -0.004 0.000 0.824 331 E CB -0.114 29.546 29.700 -0.067 0.000 0.756 331 E HN 0.294 nan 8.360 nan 0.000 0.477 332 F N 1.466 121.480 119.950 0.107 0.000 2.259 332 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 332 F C 2.312 178.123 175.800 0.017 0.000 1.088 332 F CA 1.057 59.152 58.000 0.158 0.000 1.358 332 F CB -0.137 38.987 39.000 0.207 0.000 1.040 332 F HN -0.039 nan 8.300 nan 0.000 0.505 333 Q N -0.356 119.533 119.800 0.147 0.000 2.083 333 Q HA -0.109 4.231 4.340 -0.000 0.000 0.198 333 Q C 2.522 178.486 176.000 -0.060 0.000 0.969 333 Q CA 1.306 57.091 55.803 -0.030 0.000 0.838 333 Q CB -0.456 28.290 28.738 0.012 0.000 0.900 333 Q HN 0.390 nan 8.270 nan 0.000 0.436 334 A N 1.021 123.840 122.820 -0.001 0.000 1.902 334 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 334 A C 2.066 179.652 177.584 0.002 0.000 1.181 334 A CA 1.091 53.127 52.037 -0.002 0.000 0.623 334 A CB -0.648 18.358 19.000 0.010 0.000 0.818 334 A HN 0.281 nan 8.150 nan 0.000 0.443 335 L N -0.971 120.270 121.223 0.030 0.000 2.093 335 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 335 L C 3.107 180.006 176.870 0.048 0.000 1.085 335 L CA 0.916 55.808 54.840 0.087 0.000 0.755 335 L CB -0.531 41.646 42.059 0.198 0.000 0.904 335 L HN 0.460 nan 8.230 nan 0.000 0.435 336 A N 0.026 122.723 122.820 -0.205 0.000 1.858 336 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 336 A C 2.354 179.936 177.584 -0.005 0.000 1.190 336 A CA 1.280 53.061 52.037 -0.427 0.000 0.617 336 A CB -0.412 17.881 19.000 -1.178 0.000 0.827 336 A HN 0.241 nan 8.150 nan 0.000 0.443 337 R N -0.571 119.898 120.500 -0.051 0.000 2.091 337 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 337 R C 2.329 178.628 176.300 -0.001 0.000 1.136 337 R CA 1.398 57.495 56.100 -0.005 0.000 0.959 337 R CB -1.557 28.732 30.300 -0.019 0.000 0.856 337 R HN 0.549 nan 8.270 nan 0.000 0.437 338 G N 0.634 109.441 108.800 0.012 0.000 2.462 338 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 338 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 338 G C 1.393 176.289 174.900 -0.007 0.000 1.121 338 G CA 0.826 45.930 45.100 0.007 0.000 0.758 338 G HN 0.450 nan 8.290 nan 0.000 0.559 339 A N -0.800 122.054 122.820 0.056 0.000 2.218 339 A HA 0.496 4.816 4.320 -0.000 0.000 0.209 339 A C 1.951 179.307 177.584 -0.381 0.000 1.168 339 A CA 1.257 53.301 52.037 0.012 0.000 0.804 339 A CB -0.196 19.021 19.000 0.361 0.000 0.834 339 A HN 1.534 nan 8.150 nan 0.000 0.482 340 G N -2.016 106.602 108.800 -0.303 0.000 2.184 340 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.206 340 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.206 340 G C 0.004 174.753 174.900 -0.252 0.000 0.995 340 G CA -0.124 44.667 45.100 -0.515 0.000 0.651 340 G HN 0.284 nan 8.290 nan 0.000 0.511 341 F N 1.387 121.374 119.950 0.061 0.000 2.418 341 F HA 0.480 5.007 4.527 -0.000 0.000 0.341 341 F C 1.901 177.728 175.800 0.045 0.000 1.120 341 F CA 1.006 59.101 58.000 0.158 0.000 1.232 341 F CB 1.462 40.540 39.000 0.130 0.000 1.175 341 F HN 0.086 nan 8.300 nan 0.000 0.569 342 T N -1.690 113.009 114.554 0.242 0.000 3.010 342 T HA 0.387 4.737 4.350 -0.000 0.000 0.257 342 T C 0.486 175.255 174.700 0.116 0.000 1.020 342 T CA 0.136 62.315 62.100 0.132 0.000 0.938 342 T CB -0.033 68.898 68.868 0.105 0.000 1.049 342 T HN 0.698 nan 8.240 nan 0.000 0.522 343 G N 0.619 109.514 108.800 0.157 0.000 2.566 343 G HA2 0.609 4.569 3.960 -0.000 0.000 0.311 343 G HA3 0.609 4.569 3.960 -0.000 0.000 0.311 343 G C -1.657 173.311 174.900 0.112 0.000 1.322 343 G CA -0.640 44.533 45.100 0.122 0.000 0.969 343 G HN 0.285 nan 8.290 nan 0.000 0.490 344 V N 1.513 121.478 119.914 0.085 0.000 2.623 344 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 344 V C -0.337 175.829 176.094 0.120 0.000 1.054 344 V CA -0.924 61.443 62.300 0.111 0.000 0.882 344 V CB 1.895 33.733 31.823 0.026 0.000 1.002 344 V HN 0.826 nan 8.190 nan 0.000 0.424 345 K N 2.553 123.041 120.400 0.147 0.000 2.507 345 K HA 0.700 5.020 4.320 -0.000 0.000 0.251 345 K C -1.114 175.561 176.600 0.125 0.000 0.943 345 K CA -0.261 56.101 56.287 0.125 0.000 0.794 345 K CB 2.121 34.694 32.500 0.122 0.000 1.188 345 K HN 0.683 nan 8.250 nan 0.000 0.428 346 S N 1.623 117.406 115.700 0.139 0.000 2.472 346 S HA 0.478 4.948 4.470 -0.000 0.000 0.303 346 S C -1.073 173.736 174.600 0.348 0.000 1.099 346 S CA -0.561 57.756 58.200 0.195 0.000 1.077 346 S CB 1.859 65.115 63.200 0.093 0.000 1.031 346 S HN 0.574 nan 8.310 nan 0.000 0.487 347 T N 2.956 117.724 114.554 0.358 0.000 2.841 347 T HA 0.323 4.673 4.350 -0.000 0.000 0.285 347 T C -1.004 173.773 174.700 0.129 0.000 0.991 347 T CA -0.397 61.857 62.100 0.256 0.000 0.966 347 T CB 0.559 69.513 68.868 0.142 0.000 0.962 347 T HN 0.521 nan 8.240 nan 0.000 0.438 348 Y N 4.520 124.607 120.300 -0.356 0.000 2.425 348 Y HA 0.233 4.783 4.550 -0.000 0.000 0.331 348 Y C 0.323 175.941 175.900 -0.470 0.000 1.157 348 Y CA -0.435 57.067 58.100 -0.996 0.000 1.372 348 Y CB 0.249 37.997 38.460 -1.187 0.000 1.253 348 Y HN 0.520 nan 8.280 nan 0.000 0.536 349 I N 4.444 124.323 120.570 -1.152 0.000 3.744 349 I HA 0.174 4.344 4.170 -0.000 0.000 0.240 349 I C -0.834 174.853 176.117 -0.716 0.000 1.096 349 I CA 0.229 61.115 61.300 -0.690 0.000 1.558 349 I CB -0.650 37.078 38.000 -0.453 0.000 1.531 349 I HN 0.596 nan 8.210 nan 0.000 0.459 350 Y N -0.610 119.075 120.300 -1.025 0.000 2.661 350 Y HA 0.501 5.051 4.550 0.000 0.000 0.339 350 Y C -0.088 175.555 175.900 -0.428 0.000 1.186 350 Y CA -0.819 56.899 58.100 -0.636 0.000 1.137 350 Y CB 0.891 39.134 38.460 -0.361 0.000 1.354 350 Y HN 0.248 nan 8.280 nan 0.000 0.469 351 A N 3.956 126.392 122.820 -0.640 0.000 2.640 351 A HA -0.279 4.041 4.320 -0.000 0.000 0.300 351 A C 0.803 178.321 177.584 -0.111 0.000 1.499 351 A CA 1.597 53.428 52.037 -0.343 0.000 0.759 351 A CB -1.980 16.900 19.000 -0.200 0.000 1.048 351 A HN 1.373 nan 8.150 nan 0.000 0.450 352 N N -4.110 114.583 118.700 -0.011 0.000 2.936 352 N HA -0.224 4.516 4.740 -0.000 0.000 0.236 352 N C 0.253 175.858 175.510 0.159 0.000 0.930 352 N CA 1.842 54.993 53.050 0.169 0.000 0.966 352 N CB -1.783 36.791 38.487 0.145 0.000 1.090 352 N HN 2.060 nan 8.380 nan 0.000 0.592 353 A N -0.294 122.463 122.820 -0.105 0.000 2.331 353 A HA 0.559 4.879 4.320 -0.000 0.000 0.283 353 A C -0.366 177.066 177.584 -0.252 0.000 1.142 353 A CA -0.049 51.929 52.037 -0.097 0.000 0.812 353 A CB 0.370 19.252 19.000 -0.196 0.000 1.074 353 A HN 0.269 nan 8.150 nan 0.000 0.497 354 W N 0.326 121.519 121.300 -0.178 0.000 2.864 354 W HA 0.604 5.264 4.660 -0.000 0.000 0.343 354 W C -0.014 176.355 176.519 -0.251 0.000 1.109 354 W CA -0.242 56.999 57.345 -0.174 0.000 1.192 354 W CB 2.133 31.551 29.460 -0.070 0.000 1.426 354 W HN 0.850 nan 8.180 nan 0.000 0.529 355 A N 3.390 126.199 122.820 -0.018 0.000 2.249 355 A HA 0.788 5.108 4.320 -0.000 0.000 0.314 355 A C -0.963 176.522 177.584 -0.165 0.000 1.290 355 A CA -0.541 51.342 52.037 -0.257 0.000 0.893 355 A CB -0.022 18.666 19.000 -0.520 0.000 1.165 355 A HN 0.578 nan 8.150 nan 0.000 0.530 356 I N 1.957 122.370 120.570 -0.261 0.000 2.362 356 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 356 I C 0.097 176.053 176.117 -0.268 0.000 0.994 356 I CA -0.251 60.917 61.300 -0.221 0.000 1.158 356 I CB 1.828 39.612 38.000 -0.360 0.000 1.315 356 I HN 0.728 nan 8.210 nan 0.000 0.451 357 E N 5.932 126.099 120.200 -0.056 0.000 2.133 357 E HA 0.425 4.775 4.350 -0.000 0.000 0.274 357 E C -1.547 175.207 176.600 0.257 0.000 0.930 357 E CA -0.645 55.760 56.400 0.009 0.000 0.770 357 E CB 1.037 30.791 29.700 0.091 0.000 1.104 357 E HN 0.277 nan 8.360 nan 0.000 0.403 358 F N 3.062 122.925 119.950 -0.146 0.000 2.361 358 F HA 0.234 4.761 4.527 -0.000 0.000 0.364 358 F C 0.463 176.238 175.800 -0.042 0.000 1.117 358 F CA -1.113 56.755 58.000 -0.220 0.000 1.071 358 F CB 1.198 39.758 39.000 -0.733 0.000 1.188 358 F HN 0.247 nan 8.300 nan 0.000 0.464 359 T N 0.880 115.628 114.554 0.324 0.000 2.867 359 T HA 0.509 4.859 4.350 -0.000 0.000 0.282 359 T C 0.190 175.176 174.700 0.476 0.000 1.000 359 T CA -1.003 61.307 62.100 0.349 0.000 1.042 359 T CB 1.995 70.996 68.868 0.222 0.000 0.973 359 T HN 0.371 nan 8.240 nan 0.000 0.465 360 K N 0.000 120.646 120.400 0.410 0.000 2.780 360 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 360 K CA 0.000 56.439 56.287 0.253 0.000 0.838 360 K CB 0.000 32.502 32.500 0.004 0.000 1.064 360 K HN 0.000 nan 8.250 nan 0.000 0.543