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 2cmf_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.648 174.600 0.080 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.227 63.200 0.044 0.000 0.593 5 E N 3.156 123.411 120.200 0.091 0.000 2.118 5 E HA -0.103 4.247 4.350 -0.001 0.000 0.195 5 E C 1.225 177.957 176.600 0.220 0.000 0.992 5 E CA 1.365 57.855 56.400 0.149 0.000 0.804 5 E CB -0.125 29.660 29.700 0.142 0.000 0.741 5 E HN 0.702 nan 8.360 nan 0.000 0.458 6 L N 0.931 122.225 121.223 0.117 0.000 2.622 6 L HA 0.049 4.389 4.340 -0.001 0.000 0.233 6 L C 0.723 177.701 176.870 0.179 0.000 1.156 6 L CA 0.052 54.915 54.840 0.038 0.000 0.866 6 L CB -0.301 41.715 42.059 -0.072 0.000 0.980 6 L HN 0.101 nan 8.230 nan 0.000 0.448 7 L N 0.424 121.782 121.223 0.225 0.000 2.333 7 L HA 0.636 4.976 4.340 -0.001 0.000 0.280 7 L C -0.859 176.122 176.870 0.185 0.000 1.004 7 L CA -0.325 54.649 54.840 0.223 0.000 0.820 7 L CB 1.988 44.120 42.059 0.123 0.000 1.247 7 L HN -0.314 nan 8.230 nan 0.000 0.416 8 V N 3.598 123.610 119.914 0.163 0.000 2.841 8 V HA 0.487 4.606 4.120 -0.001 0.000 0.310 8 V C -0.946 175.076 176.094 -0.120 0.000 1.090 8 V CA -0.787 61.439 62.300 -0.123 0.000 0.930 8 V CB 2.220 33.664 31.823 -0.632 0.000 1.014 8 V HN 0.767 nan 8.190 nan 0.000 0.425 9 N N 2.176 120.725 118.700 -0.253 0.000 2.476 9 N HA 0.558 5.297 4.740 -0.001 0.000 0.257 9 N C -0.330 174.851 175.510 -0.548 0.000 0.970 9 N CA -0.154 52.722 53.050 -0.289 0.000 0.938 9 N CB 1.538 39.863 38.487 -0.271 0.000 1.144 9 N HN 0.937 nan 8.380 nan 0.000 0.500 10 T N 0.092 114.427 114.554 -0.365 0.000 2.936 10 T HA 0.358 4.707 4.350 -0.001 0.000 0.282 10 T C 1.065 175.521 174.700 -0.406 0.000 1.003 10 T CA -0.552 61.317 62.100 -0.385 0.000 1.005 10 T CB 1.173 70.051 68.868 0.016 0.000 1.097 10 T HN 0.378 nan 8.240 nan 0.000 0.532 11 K N 0.333 120.534 120.400 -0.333 0.000 2.360 11 K HA -0.018 4.301 4.320 -0.001 0.000 0.201 11 K C 1.870 178.320 176.600 -0.250 0.000 1.046 11 K CA 1.124 57.261 56.287 -0.251 0.000 0.940 11 K CB -0.070 32.340 32.500 -0.150 0.000 0.748 11 K HN 0.492 nan 8.250 nan 0.000 0.465 12 S N -0.762 114.761 115.700 -0.294 0.000 2.505 12 S HA 0.212 4.682 4.470 -0.001 0.000 0.216 12 S C 0.383 174.258 174.600 -1.208 0.000 1.018 12 S CA 0.135 58.047 58.200 -0.482 0.000 0.911 12 S CB 1.334 64.426 63.200 -0.180 0.000 0.818 12 S HN 0.482 nan 8.310 nan 0.000 0.497 13 G N 1.004 109.217 108.800 -0.979 0.000 2.339 13 G HA2 0.223 4.182 3.960 -0.001 0.000 0.302 13 G HA3 0.223 4.182 3.960 -0.001 0.000 0.302 13 G C -1.801 172.961 174.900 -0.229 0.000 1.425 13 G CA -1.063 43.374 45.100 -1.105 0.000 0.899 13 G HN 0.006 nan 8.290 nan 0.000 0.619 14 K N -0.681 119.779 120.400 0.100 0.000 2.202 14 K HA 0.613 4.933 4.320 -0.001 0.000 0.264 14 K C -0.674 176.251 176.600 0.541 0.000 1.010 14 K CA -0.465 55.963 56.287 0.234 0.000 0.940 14 K CB 1.995 34.607 32.500 0.187 0.000 0.983 14 K HN 0.323 nan 8.250 nan 0.000 0.475 15 V N 3.173 123.359 119.914 0.454 0.000 2.760 15 V HA 0.298 4.418 4.120 -0.001 0.000 0.309 15 V C -1.307 175.083 176.094 0.493 0.000 1.077 15 V CA -0.894 61.757 62.300 0.586 0.000 0.910 15 V CB 2.011 34.235 31.823 0.669 0.000 1.008 15 V HN 0.739 nan 8.190 nan 0.000 0.424 16 M N 5.360 125.210 119.600 0.417 0.000 2.125 16 M HA 0.795 5.275 4.480 -0.001 0.000 0.321 16 M C 0.057 176.431 176.300 0.123 0.000 0.983 16 M CA 0.169 55.620 55.300 0.251 0.000 0.934 16 M CB 1.132 33.819 32.600 0.145 0.000 1.542 16 M HN 0.664 nan 8.290 nan 0.000 0.424 17 G N 1.776 110.476 108.800 -0.166 0.000 2.606 17 G HA2 0.710 4.669 3.960 -0.001 0.000 0.262 17 G HA3 0.710 4.669 3.960 -0.001 0.000 0.262 17 G C -0.945 173.719 174.900 -0.392 0.000 1.394 17 G CA -0.045 44.685 45.100 -0.616 0.000 1.044 17 G HN 0.827 nan 8.290 nan 0.000 0.553 18 T N -2.178 112.124 114.554 -0.420 0.000 2.868 18 T HA 0.561 4.910 4.350 -0.001 0.000 0.306 18 T C -0.792 173.801 174.700 -0.178 0.000 1.224 18 T CA -0.724 61.240 62.100 -0.227 0.000 1.012 18 T CB 2.059 70.825 68.868 -0.169 0.000 1.221 18 T HN 0.580 nan 8.240 nan 0.000 0.499 19 R N 1.689 122.142 120.500 -0.078 0.000 2.340 19 R HA 0.633 4.972 4.340 -0.001 0.000 0.300 19 R C -0.389 175.930 176.300 0.031 0.000 1.069 19 R CA -0.147 55.960 56.100 0.012 0.000 0.984 19 R CB 0.567 30.900 30.300 0.055 0.000 1.003 19 R HN 0.748 nan 8.270 nan 0.000 0.459 20 V N 2.613 122.556 119.914 0.048 0.000 2.789 20 V HA 0.756 4.876 4.120 -0.001 0.000 0.311 20 V C -2.629 173.377 176.094 -0.147 0.000 1.073 20 V CA -2.605 59.679 62.300 -0.027 0.000 0.921 20 V CB 2.129 33.943 31.823 -0.016 0.000 1.009 20 V HN 0.836 nan 8.190 nan 0.000 0.426 21 P HA 0.454 nan 4.420 nan 0.000 0.275 21 P C -0.984 176.078 177.300 -0.396 0.000 1.227 21 P CA -0.153 62.598 63.100 -0.582 0.000 0.781 21 P CB 1.608 33.033 31.700 -0.457 0.000 0.906 22 V N 3.651 123.300 119.914 -0.441 0.000 2.737 22 V HA 0.126 4.246 4.120 -0.001 0.000 0.298 22 V C 0.546 176.334 176.094 -0.509 0.000 1.163 22 V CA -0.933 61.085 62.300 -0.469 0.000 0.925 22 V CB 1.371 32.858 31.823 -0.560 0.000 1.037 22 V HN 0.482 nan 8.190 nan 0.000 0.433 23 L N 4.293 125.342 121.223 -0.290 0.000 3.879 23 L HA -0.290 4.049 4.340 -0.001 0.000 0.481 23 L C 1.273 178.023 176.870 -0.200 0.000 1.232 23 L CA 0.898 55.613 54.840 -0.207 0.000 0.736 23 L CB -1.429 40.499 42.059 -0.218 0.000 1.511 23 L HN 1.516 nan 8.230 nan 0.000 0.830 24 S N -3.207 112.404 115.700 -0.148 0.000 3.270 24 S HA -0.252 4.217 4.470 -0.001 0.000 0.293 24 S C 0.281 174.860 174.600 -0.036 0.000 1.278 24 S CA 1.441 59.598 58.200 -0.073 0.000 1.038 24 S CB -1.166 62.022 63.200 -0.020 0.000 1.218 24 S HN 1.001 nan 8.310 nan 0.000 0.659 25 S N -0.502 115.122 115.700 -0.127 0.000 2.971 25 S HA 0.875 5.345 4.470 -0.001 0.000 0.320 25 S C -1.090 173.501 174.600 -0.014 0.000 1.111 25 S CA -0.344 57.878 58.200 0.036 0.000 0.870 25 S CB 1.232 64.475 63.200 0.073 0.000 1.331 25 S HN 0.689 nan 8.310 nan 0.000 0.635 26 H N -0.625 118.451 119.070 0.009 0.000 3.016 26 H HA 0.758 5.313 4.556 -0.001 0.000 0.362 26 H C -0.598 174.797 175.328 0.112 0.000 1.233 26 H CA -0.144 55.916 56.048 0.020 0.000 1.124 26 H CB 1.469 31.246 29.762 0.026 0.000 1.850 26 H HN 0.750 nan 8.280 nan 0.000 0.549 27 I N -2.529 118.174 120.570 0.221 0.000 3.334 27 I HA 0.687 4.857 4.170 -0.001 0.000 0.316 27 I C -1.051 175.177 176.117 0.185 0.000 1.251 27 I CA -0.989 60.452 61.300 0.235 0.000 0.929 27 I CB 2.316 40.485 38.000 0.282 0.000 1.317 27 I HN 0.373 nan 8.210 nan 0.000 0.479 28 S N 1.016 116.838 115.700 0.204 0.000 2.617 28 S HA 0.867 5.336 4.470 -0.001 0.000 0.283 28 S C -0.379 174.280 174.600 0.098 0.000 1.189 28 S CA -0.375 57.899 58.200 0.123 0.000 1.036 28 S CB 1.536 64.885 63.200 0.248 0.000 1.014 28 S HN 0.912 nan 8.310 nan 0.000 0.522 29 A N 1.929 124.652 122.820 -0.161 0.000 2.442 29 A HA 0.656 4.975 4.320 -0.001 0.000 0.284 29 A C -1.448 175.911 177.584 -0.375 0.000 1.058 29 A CA -0.631 51.243 52.037 -0.272 0.000 0.738 29 A CB 0.344 19.117 19.000 -0.379 0.000 1.242 29 A HN 0.586 nan 8.150 nan 0.000 0.421 30 F N 3.445 123.278 119.950 -0.196 0.000 2.309 30 F HA 0.431 4.958 4.527 -0.001 0.000 0.366 30 F C 0.231 175.918 175.800 -0.189 0.000 1.104 30 F CA -0.610 57.346 58.000 -0.073 0.000 1.179 30 F CB 0.743 39.812 39.000 0.114 0.000 1.437 30 F HN 0.386 nan 8.300 nan 0.000 0.528 31 L N 2.086 123.250 121.223 -0.098 0.000 2.375 31 L HA 0.556 4.895 4.340 -0.001 0.000 0.271 31 L C 1.229 178.129 176.870 0.049 0.000 1.107 31 L CA -0.691 54.088 54.840 -0.102 0.000 0.806 31 L CB 0.935 42.858 42.059 -0.227 0.000 1.146 31 L HN 0.839 nan 8.230 nan 0.000 0.447 32 G N 2.844 111.697 108.800 0.088 0.000 2.198 32 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 32 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 32 G C 0.053 175.039 174.900 0.145 0.000 1.025 32 G CA -0.233 44.925 45.100 0.097 0.000 0.769 32 G HN 0.503 nan 8.290 nan 0.000 0.507 33 I N 2.068 122.643 120.570 0.009 0.000 2.471 33 I HA 0.212 4.381 4.170 -0.001 0.000 0.286 33 I C -1.455 174.449 176.117 -0.355 0.000 1.079 33 I CA -1.929 59.202 61.300 -0.282 0.000 1.398 33 I CB 0.951 38.783 38.000 -0.281 0.000 1.403 33 I HN -0.024 nan 8.210 nan 0.000 0.530 34 P HA 0.073 nan 4.420 nan 0.000 0.282 34 P C -0.191 176.725 177.300 -0.641 0.000 1.274 34 P CA -0.161 62.411 63.100 -0.879 0.000 0.770 34 P CB 0.612 31.706 31.700 -1.010 0.000 0.867 35 F N 1.815 121.432 119.950 -0.555 0.000 2.720 35 F HA 0.663 5.190 4.527 -0.001 0.000 0.301 35 F C 0.260 175.966 175.800 -0.157 0.000 1.103 35 F CA -0.805 56.949 58.000 -0.411 0.000 1.291 35 F CB -0.063 38.679 39.000 -0.430 0.000 1.086 35 F HN 0.283 nan 8.300 nan 0.000 0.592 36 A N 0.075 122.524 122.820 -0.619 0.000 2.527 36 A HA 0.631 4.951 4.320 -0.001 0.000 0.293 36 A C -0.823 176.575 177.584 -0.310 0.000 1.117 36 A CA -0.776 51.071 52.037 -0.317 0.000 0.723 36 A CB 0.991 19.810 19.000 -0.302 0.000 1.313 36 A HN 0.052 nan 8.150 nan 0.000 0.411 37 E N 1.214 121.330 120.200 -0.141 0.000 2.316 37 E HA 0.302 4.652 4.350 -0.001 0.000 0.275 37 E C -2.367 174.157 176.600 -0.126 0.000 1.029 37 E CA -1.621 54.720 56.400 -0.097 0.000 0.871 37 E CB 0.316 30.004 29.700 -0.020 0.000 1.022 37 E HN 0.222 nan 8.360 nan 0.000 0.418 38 P HA -0.070 nan 4.420 nan 0.000 0.257 38 P C -2.134 175.124 177.300 -0.071 0.000 1.162 38 P CA -0.364 62.679 63.100 -0.095 0.000 0.762 38 P CB 0.004 31.683 31.700 -0.035 0.000 0.753 39 P HA -0.001 nan 4.420 nan 0.000 0.226 39 P C -0.016 177.244 177.300 -0.066 0.000 1.758 39 P CA 0.087 63.150 63.100 -0.061 0.000 0.896 39 P CB -0.127 31.538 31.700 -0.059 0.000 1.784 40 V N -3.418 116.465 119.914 -0.051 0.000 3.336 40 V HA 0.820 4.940 4.120 -0.001 0.000 0.314 40 V C 1.268 177.346 176.094 -0.026 0.000 1.088 40 V CA 0.215 62.487 62.300 -0.047 0.000 1.033 40 V CB 0.180 31.983 31.823 -0.035 0.000 1.181 40 V HN 0.471 nan 8.190 nan 0.000 0.449 41 G N 0.582 109.371 108.800 -0.017 0.000 2.660 41 G HA2 -0.431 3.529 3.960 -0.001 0.000 0.321 41 G HA3 -0.431 3.529 3.960 -0.001 0.000 0.321 41 G C 0.958 175.869 174.900 0.018 0.000 1.246 41 G CA 1.742 46.846 45.100 0.007 0.000 1.000 41 G HN 2.085 nan 8.290 nan 0.000 0.550 42 N N -0.185 118.538 118.700 0.039 0.000 2.571 42 N HA 0.256 4.995 4.740 -0.001 0.000 0.189 42 N C 2.129 177.669 175.510 0.050 0.000 1.154 42 N CA 2.085 55.173 53.050 0.063 0.000 0.907 42 N CB -0.313 38.213 38.487 0.066 0.000 0.977 42 N HN 0.531 nan 8.380 nan 0.000 0.449 43 M N -0.396 119.215 119.600 0.017 0.000 2.486 43 M HA 0.113 4.593 4.480 -0.001 0.000 0.264 43 M C 1.184 177.470 176.300 -0.025 0.000 1.125 43 M CA 0.126 55.430 55.300 0.006 0.000 1.144 43 M CB -0.498 32.097 32.600 -0.008 0.000 1.353 43 M HN 0.384 nan 8.290 nan 0.000 0.466 44 R N 0.787 121.224 120.500 -0.105 0.000 2.504 44 R HA -0.118 4.221 4.340 -0.001 0.000 0.291 44 R C -0.519 175.600 176.300 -0.301 0.000 0.974 44 R CA 0.756 56.657 56.100 -0.332 0.000 1.077 44 R CB 0.030 30.007 30.300 -0.538 0.000 0.926 44 R HN 0.253 nan 8.270 nan 0.000 0.407 45 F N -0.385 119.585 119.950 0.033 0.000 2.397 45 F HA -0.256 4.270 4.527 -0.001 0.000 0.438 45 F C 0.490 176.285 175.800 -0.008 0.000 0.555 45 F CA 0.765 58.757 58.000 -0.014 0.000 1.561 45 F CB -1.407 37.570 39.000 -0.038 0.000 2.188 45 F HN 0.620 nan 8.300 nan 0.000 0.267 46 R N 0.949 121.530 120.500 0.135 0.000 2.543 46 R HA 0.606 4.946 4.340 -0.001 0.000 0.268 46 R C 0.513 176.851 176.300 0.063 0.000 1.067 46 R CA -0.923 55.232 56.100 0.092 0.000 1.142 46 R CB 0.662 31.004 30.300 0.071 0.000 1.110 46 R HN 0.067 nan 8.270 nan 0.000 0.549 47 R N 1.993 122.530 120.500 0.062 0.000 2.679 47 R HA 0.070 4.410 4.340 -0.001 0.000 0.268 47 R C -1.904 174.430 176.300 0.058 0.000 1.044 47 R CA -0.999 55.138 56.100 0.062 0.000 1.105 47 R CB -0.109 30.232 30.300 0.068 0.000 0.989 47 R HN 0.408 nan 8.270 nan 0.000 0.447 48 P HA 0.018 nan 4.420 nan 0.000 0.270 48 P C -0.774 176.566 177.300 0.065 0.000 1.223 48 P CA 0.055 63.194 63.100 0.065 0.000 0.785 48 P CB 0.789 32.555 31.700 0.109 0.000 0.923 49 E N 1.797 122.025 120.200 0.046 0.000 2.195 49 E HA 0.441 4.791 4.350 -0.001 0.000 0.271 49 E C -2.297 174.340 176.600 0.062 0.000 0.923 49 E CA -2.767 53.664 56.400 0.052 0.000 0.790 49 E CB 0.805 30.526 29.700 0.036 0.000 1.155 49 E HN 0.310 nan 8.360 nan 0.000 0.402 50 P HA 0.091 nan 4.420 nan 0.000 0.275 50 P C -0.628 176.729 177.300 0.095 0.000 1.228 50 P CA -0.538 62.631 63.100 0.116 0.000 0.786 50 P CB 0.640 32.420 31.700 0.134 0.000 0.927 51 K N 3.480 123.941 120.400 0.102 0.000 2.472 51 K HA -0.005 4.315 4.320 -0.001 0.000 0.280 51 K C 0.243 176.943 176.600 0.166 0.000 1.028 51 K CA 0.397 56.746 56.287 0.103 0.000 1.045 51 K CB -0.105 32.457 32.500 0.103 0.000 0.902 51 K HN 0.189 nan 8.250 nan 0.000 0.478 52 K N 6.327 126.822 120.400 0.159 0.000 2.416 52 K HA 0.101 4.420 4.320 -0.001 0.000 0.283 52 K C -2.180 174.566 176.600 0.244 0.000 1.037 52 K CA -1.475 54.909 56.287 0.162 0.000 0.995 52 K CB 0.057 32.645 32.500 0.145 0.000 0.938 52 K HN 0.562 nan 8.250 nan 0.000 0.475 53 P HA -0.005 nan 4.420 nan 0.000 0.271 53 P C -0.858 176.563 177.300 0.202 0.000 1.233 53 P CA 0.026 63.145 63.100 0.030 0.000 0.795 53 P CB 0.269 31.915 31.700 -0.089 0.000 0.936 54 W N -0.779 120.596 121.300 0.125 0.000 3.083 54 W HA 0.672 5.331 4.660 -0.001 0.000 0.333 54 W C -1.215 175.378 176.519 0.122 0.000 1.217 54 W CA -0.824 56.608 57.345 0.144 0.000 1.170 54 W CB 0.132 29.734 29.460 0.237 0.000 1.437 54 W HN 0.391 nan 8.180 nan 0.000 0.557 55 S N 1.534 117.444 115.700 0.350 0.000 2.722 55 S HA 0.922 5.392 4.470 -0.001 0.000 0.292 55 S C 0.290 175.106 174.600 0.360 0.000 1.135 55 S CA -0.212 58.127 58.200 0.231 0.000 1.003 55 S CB 1.023 64.301 63.200 0.130 0.000 1.067 55 S HN 2.280 nan 8.310 nan 0.000 0.546 56 G N -0.732 108.217 108.800 0.248 0.000 2.781 56 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.683 56 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.683 56 G C -0.813 174.292 174.900 0.342 0.000 1.390 56 G CA -0.444 44.792 45.100 0.227 0.000 0.850 56 G HN 1.302 nan 8.290 nan 0.000 0.557 57 V N 2.428 122.490 119.914 0.246 0.000 2.567 57 V HA 0.598 4.718 4.120 -0.001 0.000 0.289 57 V C 0.364 176.626 176.094 0.279 0.000 1.049 57 V CA -0.573 61.910 62.300 0.305 0.000 0.969 57 V CB 1.618 33.554 31.823 0.189 0.000 0.995 57 V HN 0.778 nan 8.190 nan 0.000 0.471 58 W N 6.008 127.442 121.300 0.223 0.000 2.351 58 W HA 0.287 4.946 4.660 -0.001 0.000 0.311 58 W C 0.119 176.658 176.519 0.033 0.000 1.168 58 W CA -0.861 56.474 57.345 -0.017 0.000 1.200 58 W CB 1.020 30.348 29.460 -0.219 0.000 1.221 58 W HN 0.585 nan 8.180 nan 0.000 0.519 59 N N 4.341 122.896 118.700 -0.242 0.000 2.406 59 N HA 0.149 4.888 4.740 -0.001 0.000 0.265 59 N C -0.427 175.197 175.510 0.189 0.000 1.203 59 N CA 0.355 53.362 53.050 -0.073 0.000 0.945 59 N CB 0.795 39.140 38.487 -0.236 0.000 1.165 59 N HN 0.386 nan 8.380 nan 0.000 0.485 60 A N 2.732 125.708 122.820 0.260 0.000 3.154 60 A HA 0.201 4.521 4.320 -0.001 0.000 0.310 60 A C 1.056 178.668 177.584 0.047 0.000 1.093 60 A CA -0.396 51.801 52.037 0.267 0.000 1.006 60 A CB -0.393 18.836 19.000 0.382 0.000 1.084 60 A HN 0.629 nan 8.150 nan 0.000 0.549 61 S N -0.855 114.839 115.700 -0.011 0.000 2.502 61 S HA 0.162 4.632 4.470 -0.001 0.000 0.215 61 S C 0.786 175.310 174.600 -0.125 0.000 1.009 61 S CA 0.712 58.855 58.200 -0.095 0.000 0.908 61 S CB -0.190 62.959 63.200 -0.085 0.000 0.801 61 S HN 0.922 nan 8.310 nan 0.000 0.505 62 T N -0.898 113.603 114.554 -0.089 0.000 2.909 62 T HA 0.617 4.966 4.350 -0.001 0.000 0.299 62 T C -0.861 173.821 174.700 -0.029 0.000 1.073 62 T CA -0.767 61.273 62.100 -0.100 0.000 0.999 62 T CB 0.692 69.521 68.868 -0.065 0.000 1.098 62 T HN 0.062 nan 8.240 nan 0.000 0.477 63 Y N 3.176 123.444 120.300 -0.052 0.000 2.788 63 Y HA 0.249 4.799 4.550 -0.001 0.000 0.341 63 Y C -1.304 174.534 175.900 -0.102 0.000 1.258 63 Y CA -1.014 57.057 58.100 -0.049 0.000 1.503 63 Y CB -0.026 38.425 38.460 -0.014 0.000 1.325 63 Y HN 0.567 nan 8.280 nan 0.000 0.614 64 P HA 0.123 nan 4.420 nan 0.000 0.297 64 P C -0.647 176.562 177.300 -0.151 0.000 1.307 64 P CA -0.542 62.423 63.100 -0.226 0.000 0.773 64 P CB 0.904 32.337 31.700 -0.444 0.000 1.265 65 N N -0.161 118.416 118.700 -0.204 0.000 2.399 65 N HA 0.133 4.873 4.740 -0.001 0.000 0.250 65 N C 0.071 175.546 175.510 -0.058 0.000 1.272 65 N CA 0.144 53.132 53.050 -0.104 0.000 0.928 65 N CB -0.351 38.086 38.487 -0.082 0.000 1.158 65 N HN 0.391 nan 8.380 nan 0.000 0.463 66 N N -0.802 117.859 118.700 -0.066 0.000 2.492 66 N HA 0.306 5.045 4.740 -0.001 0.000 0.289 66 N C -0.477 174.994 175.510 -0.064 0.000 1.133 66 N CA -0.648 52.360 53.050 -0.070 0.000 0.961 66 N CB 1.067 39.490 38.487 -0.106 0.000 1.186 66 N HN 0.383 nan 8.380 nan 0.000 0.493 67 c N 1.234 119.798 118.600 -0.061 0.000 2.657 67 c HA 0.070 4.640 4.570 -0.001 0.000 0.404 67 c C 0.547 174.561 174.090 -0.127 0.000 1.291 67 c CA -0.598 55.680 56.329 -0.086 0.000 2.218 67 c CB 0.148 42.635 42.510 -0.037 0.000 2.687 67 c HN 0.534 nan 8.230 nan 0.000 0.634 68 Q N 2.789 122.435 119.800 -0.257 0.000 2.244 68 Q HA 0.162 4.502 4.340 -0.001 0.000 0.278 68 Q C 0.032 176.001 176.000 -0.052 0.000 1.093 68 Q CA 0.967 56.606 55.803 -0.273 0.000 0.916 68 Q CB 0.297 28.606 28.738 -0.715 0.000 1.159 68 Q HN 0.870 nan 8.270 nan 0.000 0.384 69 Q N 1.635 121.481 119.800 0.078 0.000 2.590 69 Q HA 0.336 4.676 4.340 -0.001 0.000 0.295 69 Q C -1.206 174.943 176.000 0.247 0.000 0.973 69 Q CA -1.064 54.867 55.803 0.213 0.000 0.768 69 Q CB 0.894 29.718 28.738 0.142 0.000 1.479 69 Q HN 0.445 nan 8.270 nan 0.000 0.419 70 Y N 1.018 121.463 120.300 0.241 0.000 2.526 70 Y HA 0.328 4.877 4.550 -0.001 0.000 0.330 70 Y C -1.038 174.993 175.900 0.219 0.000 1.156 70 Y CA 0.265 58.531 58.100 0.276 0.000 1.419 70 Y CB 0.828 39.523 38.460 0.391 0.000 1.250 70 Y HN 0.419 nan 8.280 nan 0.000 0.540 71 V N 7.098 126.741 119.914 -0.451 0.000 2.384 71 V HA 0.111 4.231 4.120 -0.001 0.000 0.287 71 V C -0.578 175.318 176.094 -0.331 0.000 1.020 71 V CA -0.976 61.190 62.300 -0.223 0.000 0.850 71 V CB 1.413 33.160 31.823 -0.126 0.000 0.987 71 V HN 0.791 nan 8.190 nan 0.000 0.436 72 D N 4.159 124.587 120.400 0.047 0.000 2.371 72 D HA 0.124 4.763 4.640 -0.001 0.000 0.256 72 D C 0.619 177.010 176.300 0.153 0.000 1.193 72 D CA 0.205 54.334 54.000 0.214 0.000 0.881 72 D CB 0.831 41.877 40.800 0.410 0.000 1.143 72 D HN 0.672 nan 8.370 nan 0.000 0.473 73 E N 3.175 123.430 120.200 0.092 0.000 2.734 73 E HA -0.003 4.346 4.350 -0.001 0.000 0.211 73 E C 0.889 177.482 176.600 -0.012 0.000 0.991 73 E CA -0.333 56.099 56.400 0.053 0.000 1.065 73 E CB 0.582 30.280 29.700 -0.002 0.000 1.047 73 E HN 0.488 nan 8.360 nan 0.000 0.470 74 Q N -0.241 119.527 119.800 -0.054 0.000 2.084 74 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 74 Q C 0.166 175.723 176.000 -0.738 0.000 0.978 74 Q CA 1.196 56.712 55.803 -0.478 0.000 0.844 74 Q CB 0.094 28.366 28.738 -0.775 0.000 0.898 74 Q HN 0.252 nan 8.270 nan 0.000 0.426 75 F N 0.333 120.391 119.950 0.179 0.000 2.471 75 F HA 0.352 4.879 4.527 -0.001 0.000 0.318 75 F C -2.100 173.800 175.800 0.167 0.000 1.308 75 F CA -2.965 55.116 58.000 0.136 0.000 1.162 75 F CB 0.738 39.833 39.000 0.158 0.000 1.383 75 F HN -0.172 nan 8.300 nan 0.000 0.552 76 P HA 0.080 nan 4.420 nan 0.000 0.259 76 P C 1.081 178.478 177.300 0.161 0.000 1.163 76 P CA 1.523 64.708 63.100 0.142 0.000 0.760 76 P CB 0.568 32.313 31.700 0.075 0.000 0.762 77 G N 2.831 111.714 108.800 0.139 0.000 2.304 77 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.252 77 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.252 77 G C 0.147 175.130 174.900 0.138 0.000 1.014 77 G CA -0.231 44.934 45.100 0.107 0.000 0.619 77 G HN 0.560 nan 8.290 nan 0.000 0.525 78 F N 3.448 123.418 119.950 0.034 0.000 2.543 78 F HA 0.456 4.983 4.527 -0.001 0.000 0.375 78 F C 1.768 177.529 175.800 -0.066 0.000 1.075 78 F CA 0.304 58.274 58.000 -0.050 0.000 1.225 78 F CB 1.000 39.957 39.000 -0.072 0.000 1.099 78 F HN 0.289 nan 8.300 nan 0.000 0.561 79 S N 3.603 118.900 115.700 -0.672 0.000 2.368 79 S HA -0.119 4.350 4.470 -0.001 0.000 0.225 79 S C 2.278 176.455 174.600 -0.705 0.000 1.030 79 S CA 0.876 58.719 58.200 -0.596 0.000 0.999 79 S CB -1.430 61.458 63.200 -0.520 0.000 0.844 79 S HN 0.865 nan 8.310 nan 0.000 0.459 80 G N 1.734 109.602 108.800 -1.553 0.000 2.507 80 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.221 80 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.221 80 G C 1.667 176.822 174.900 0.425 0.000 1.119 80 G CA 1.527 46.098 45.100 -0.881 0.000 0.751 80 G HN 0.833 nan 8.290 nan 0.000 0.574 81 S N -0.869 115.095 115.700 0.439 0.000 2.514 81 S HA 0.202 4.672 4.470 -0.001 0.000 0.223 81 S C 1.733 176.635 174.600 0.504 0.000 1.046 81 S CA 0.684 59.412 58.200 0.880 0.000 0.914 81 S CB 0.327 64.201 63.200 1.124 0.000 0.807 81 S HN 0.285 nan 8.310 nan 0.000 0.497 82 E N 2.168 122.496 120.200 0.214 0.000 2.274 82 E HA 0.042 4.391 4.350 -0.001 0.000 0.194 82 E C 2.036 178.605 176.600 -0.052 0.000 0.996 82 E CA 1.052 57.508 56.400 0.094 0.000 0.840 82 E CB -0.440 29.280 29.700 0.033 0.000 0.772 82 E HN 0.826 nan 8.360 nan 0.000 0.491 83 M N -1.920 117.558 119.600 -0.203 0.000 2.539 83 M HA -0.069 4.410 4.480 -0.001 0.000 0.261 83 M C 0.845 176.772 176.300 -0.621 0.000 1.069 83 M CA 1.250 56.266 55.300 -0.474 0.000 1.081 83 M CB -0.283 31.919 32.600 -0.664 0.000 1.412 83 M HN 0.043 nan 8.290 nan 0.000 0.482 84 W N 0.828 122.066 121.300 -0.104 0.000 2.872 84 W HA 0.270 4.930 4.660 -0.001 0.000 0.266 84 W C 0.743 177.185 176.519 -0.128 0.000 1.276 84 W CA -0.747 56.507 57.345 -0.152 0.000 1.471 84 W CB -0.183 29.222 29.460 -0.091 0.000 1.071 84 W HN 0.094 nan 8.180 nan 0.000 0.619 85 N N 2.671 121.441 118.700 0.117 0.000 2.415 85 N HA 0.050 4.789 4.740 -0.001 0.000 0.248 85 N C -2.251 173.232 175.510 -0.044 0.000 1.271 85 N CA -0.781 52.303 53.050 0.057 0.000 0.913 85 N CB -0.275 38.251 38.487 0.064 0.000 1.129 85 N HN -0.236 nan 8.380 nan 0.000 0.444 86 P HA 0.054 nan 4.420 nan 0.000 0.268 86 P C -0.192 177.051 177.300 -0.095 0.000 1.204 86 P CA -0.099 62.941 63.100 -0.099 0.000 0.768 86 P CB 0.403 32.053 31.700 -0.083 0.000 0.842 87 N N 2.157 120.783 118.700 -0.123 0.000 2.234 87 N HA 0.096 4.836 4.740 -0.001 0.000 0.227 87 N C 0.320 175.782 175.510 -0.080 0.000 1.151 87 N CA -0.188 52.801 53.050 -0.102 0.000 0.865 87 N CB 0.269 38.680 38.487 -0.126 0.000 1.066 87 N HN 0.155 nan 8.380 nan 0.000 0.515 88 R N 0.219 120.668 120.500 -0.084 0.000 3.018 88 R HA 0.387 4.726 4.340 -0.001 0.000 0.243 88 R C -0.644 175.619 176.300 -0.061 0.000 1.315 88 R CA -0.700 55.361 56.100 -0.066 0.000 1.039 88 R CB 0.444 30.696 30.300 -0.079 0.000 1.315 88 R HN 0.229 nan 8.270 nan 0.000 0.492 89 E N 0.984 121.151 120.200 -0.056 0.000 2.283 89 E HA 0.212 4.562 4.350 -0.001 0.000 0.278 89 E C -0.333 176.231 176.600 -0.061 0.000 1.027 89 E CA -0.169 56.199 56.400 -0.053 0.000 0.843 89 E CB 0.823 30.494 29.700 -0.049 0.000 1.062 89 E HN 0.235 nan 8.360 nan 0.000 0.401 90 M N 2.489 122.054 119.600 -0.059 0.000 2.235 90 M HA 0.196 4.676 4.480 -0.001 0.000 0.351 90 M C -0.080 176.171 176.300 -0.082 0.000 1.178 90 M CA 0.269 55.526 55.300 -0.072 0.000 1.143 90 M CB 1.412 33.973 32.600 -0.066 0.000 1.530 90 M HN 0.379 nan 8.290 nan 0.000 0.461 91 S N 0.959 116.597 115.700 -0.103 0.000 2.588 91 S HA 0.272 4.742 4.470 -0.001 0.000 0.269 91 S C -0.010 174.494 174.600 -0.161 0.000 1.157 91 S CA -0.713 57.422 58.200 -0.109 0.000 0.824 91 S CB 1.578 64.740 63.200 -0.063 0.000 1.126 91 S HN 0.809 nan 8.310 nan 0.000 0.464 92 E N 0.527 120.617 120.200 -0.183 0.000 2.371 92 E HA -0.005 4.345 4.350 -0.001 0.000 0.194 92 E C -0.536 175.996 176.600 -0.114 0.000 1.012 92 E CA 0.373 56.636 56.400 -0.229 0.000 0.860 92 E CB 0.120 29.682 29.700 -0.231 0.000 0.811 92 E HN 0.531 nan 8.360 nan 0.000 0.502 93 D N 0.328 120.700 120.400 -0.047 0.000 2.468 93 D HA 0.021 4.661 4.640 -0.001 0.000 0.218 93 D C 0.083 176.468 176.300 0.142 0.000 1.155 93 D CA -0.433 53.585 54.000 0.030 0.000 0.924 93 D CB 0.056 40.891 40.800 0.058 0.000 1.029 93 D HN 0.104 nan 8.370 nan 0.000 0.515 94 c N 2.503 121.168 118.600 0.109 0.000 3.865 94 c HA 0.364 4.933 4.570 -0.001 0.000 0.297 94 c C 0.567 174.755 174.090 0.164 0.000 1.758 94 c CA -0.685 55.769 56.329 0.209 0.000 1.778 94 c CB -1.287 41.261 42.510 0.063 0.000 3.158 94 c HN 0.459 nan 8.230 nan 0.000 0.598 95 L N 2.609 123.692 121.223 -0.233 0.000 2.415 95 L HA 0.368 4.707 4.340 -0.001 0.000 0.269 95 L C -0.880 175.270 176.870 -1.201 0.000 1.244 95 L CA 0.644 55.112 54.840 -0.620 0.000 1.113 95 L CB -0.767 40.833 42.059 -0.765 0.000 1.352 95 L HN 0.380 nan 8.230 nan 0.000 0.433 96 Y N 1.820 121.954 120.300 -0.276 0.000 2.576 96 Y HA 0.649 5.199 4.550 -0.001 0.000 0.346 96 Y C -0.059 175.983 175.900 0.237 0.000 1.018 96 Y CA -1.300 56.720 58.100 -0.133 0.000 1.050 96 Y CB 1.923 40.328 38.460 -0.090 0.000 1.280 96 Y HN 0.193 nan 8.280 nan 0.000 0.474 97 L N -0.096 121.313 121.223 0.309 0.000 2.309 97 L HA 0.784 5.123 4.340 -0.001 0.000 0.261 97 L C -1.154 175.780 176.870 0.107 0.000 1.021 97 L CA -1.094 53.874 54.840 0.214 0.000 0.823 97 L CB 1.666 43.767 42.059 0.069 0.000 1.366 97 L HN 0.451 nan 8.230 nan 0.000 0.423 98 N N 1.245 120.016 118.700 0.119 0.000 2.272 98 N HA 0.724 5.464 4.740 -0.001 0.000 0.305 98 N C -1.293 174.172 175.510 -0.075 0.000 1.103 98 N CA -0.259 52.773 53.050 -0.030 0.000 0.791 98 N CB 2.697 41.150 38.487 -0.057 0.000 1.356 98 N HN 0.656 nan 8.380 nan 0.000 0.486 99 I N 0.280 120.719 120.570 -0.218 0.000 2.499 99 I HA 0.348 4.518 4.170 -0.001 0.000 0.288 99 I C -0.802 175.282 176.117 -0.055 0.000 1.048 99 I CA -0.673 60.579 61.300 -0.080 0.000 1.062 99 I CB 2.211 40.043 38.000 -0.280 0.000 1.238 99 I HN 0.247 nan 8.210 nan 0.000 0.426 100 W N 6.308 127.725 121.300 0.195 0.000 2.296 100 W HA 0.484 5.143 4.660 -0.001 0.000 0.316 100 W C -0.888 175.754 176.519 0.206 0.000 1.022 100 W CA -0.601 56.865 57.345 0.202 0.000 1.324 100 W CB 1.947 31.503 29.460 0.159 0.000 1.227 100 W HN 0.117 nan 8.180 nan 0.000 0.409 101 V N 5.856 126.026 119.914 0.426 0.000 2.394 101 V HA 0.238 4.357 4.120 -0.001 0.000 0.282 101 V C -1.776 174.503 176.094 0.309 0.000 1.031 101 V CA -2.109 60.410 62.300 0.364 0.000 0.881 101 V CB 1.378 33.470 31.823 0.448 0.000 0.982 101 V HN 0.229 nan 8.190 nan 0.000 0.451 102 P HA 0.105 nan 4.420 nan 0.000 0.270 102 P C -0.523 176.891 177.300 0.189 0.000 1.227 102 P CA 0.138 63.353 63.100 0.191 0.000 0.788 102 P CB 0.487 32.257 31.700 0.117 0.000 0.926 103 S N 0.579 116.381 115.700 0.169 0.000 2.594 103 S HA 0.504 4.974 4.470 -0.001 0.000 0.296 103 S C -2.597 172.071 174.600 0.113 0.000 1.124 103 S CA -1.452 56.839 58.200 0.151 0.000 1.011 103 S CB 0.241 63.542 63.200 0.169 0.000 1.016 103 S HN 0.279 nan 8.310 nan 0.000 0.485 104 P HA 0.125 nan 4.420 nan 0.000 0.268 104 P C -0.387 176.973 177.300 0.100 0.000 1.205 104 P CA -0.476 62.677 63.100 0.088 0.000 0.771 104 P CB 0.380 32.118 31.700 0.063 0.000 0.858 105 R N 3.265 123.836 120.500 0.118 0.000 2.523 105 R HA 0.049 4.389 4.340 -0.001 0.000 0.281 105 R C -1.955 174.403 176.300 0.096 0.000 0.969 105 R CA -0.748 55.432 56.100 0.133 0.000 1.093 105 R CB -0.426 29.959 30.300 0.141 0.000 0.917 105 R HN 0.372 nan 8.270 nan 0.000 0.408 106 P HA 0.084 nan 4.420 nan 0.000 0.274 106 P C -0.186 177.144 177.300 0.049 0.000 1.256 106 P CA -0.427 62.711 63.100 0.064 0.000 0.795 106 P CB 0.716 32.455 31.700 0.066 0.000 1.038 107 K N -0.424 119.993 120.400 0.029 0.000 2.168 107 K HA 0.128 4.448 4.320 -0.001 0.000 0.201 107 K C 0.601 177.198 176.600 -0.004 0.000 1.049 107 K CA 1.059 57.353 56.287 0.012 0.000 0.974 107 K CB -0.287 32.217 32.500 0.006 0.000 0.792 107 K HN 0.345 nan 8.250 nan 0.000 0.463 108 S N 0.914 116.613 115.700 -0.003 0.000 2.777 108 S HA 0.124 4.593 4.470 -0.001 0.000 0.140 108 S C -0.977 173.618 174.600 -0.009 0.000 1.233 108 S CA -0.374 57.815 58.200 -0.018 0.000 1.157 108 S CB 0.245 63.423 63.200 -0.037 0.000 1.600 108 S HN 0.146 nan 8.310 nan 0.000 0.432 109 T N 1.871 116.430 114.554 0.008 0.000 2.936 109 T HA 0.570 4.920 4.350 -0.001 0.000 0.282 109 T C 0.173 174.880 174.700 0.011 0.000 1.003 109 T CA -0.020 62.087 62.100 0.012 0.000 1.005 109 T CB 0.999 69.883 68.868 0.026 0.000 1.097 109 T HN 0.486 nan 8.240 nan 0.000 0.532 110 T N 2.331 116.887 114.554 0.003 0.000 2.905 110 T HA 0.254 4.604 4.350 -0.001 0.000 0.299 110 T C -0.231 174.479 174.700 0.018 0.000 1.024 110 T CA -0.162 61.935 62.100 -0.004 0.000 1.151 110 T CB 0.035 68.889 68.868 -0.022 0.000 0.987 110 T HN 0.404 nan 8.240 nan 0.000 0.535 111 V N 5.229 125.157 119.914 0.024 0.000 2.495 111 V HA 0.477 4.597 4.120 -0.001 0.000 0.298 111 V C 0.020 176.149 176.094 0.059 0.000 1.031 111 V CA -0.761 61.574 62.300 0.058 0.000 0.871 111 V CB 1.668 33.533 31.823 0.070 0.000 0.988 111 V HN 0.846 nan 8.190 nan 0.000 0.432 112 M N 4.726 124.377 119.600 0.085 0.000 2.190 112 M HA 0.541 5.020 4.480 -0.001 0.000 0.312 112 M C -1.229 175.261 176.300 0.318 0.000 0.990 112 M CA -0.628 54.722 55.300 0.083 0.000 0.927 112 M CB 2.134 34.640 32.600 -0.157 0.000 1.571 112 M HN 0.362 nan 8.290 nan 0.000 0.427 113 V N 3.301 123.453 119.914 0.396 0.000 2.347 113 V HA 0.324 4.443 4.120 -0.001 0.000 0.280 113 V C -0.744 175.687 176.094 0.562 0.000 1.021 113 V CA -0.630 61.924 62.300 0.422 0.000 0.847 113 V CB 1.384 33.333 31.823 0.210 0.000 0.990 113 V HN 0.850 nan 8.190 nan 0.000 0.444 114 W N 7.007 128.481 121.300 0.290 0.000 2.338 114 W HA 0.598 5.258 4.660 -0.001 0.000 0.307 114 W C -1.234 175.210 176.519 -0.126 0.000 1.167 114 W CA -0.747 56.523 57.345 -0.126 0.000 1.208 114 W CB 1.192 30.590 29.460 -0.104 0.000 1.228 114 W HN 0.443 nan 8.180 nan 0.000 0.499 115 I N 9.421 129.353 120.570 -1.062 0.000 2.390 115 I HA 0.061 4.231 4.170 -0.001 0.000 0.283 115 I C -0.086 175.265 176.117 -1.277 0.000 1.016 115 I CA -1.086 59.692 61.300 -0.871 0.000 1.151 115 I CB 0.517 38.193 38.000 -0.541 0.000 1.293 115 I HN 0.310 nan 8.210 nan 0.000 0.458 116 Y N 4.829 124.693 120.300 -0.726 0.000 2.335 116 Y HA 0.679 5.228 4.550 -0.001 0.000 0.348 116 Y C 0.713 176.463 175.900 -0.251 0.000 1.280 116 Y CA -0.784 57.009 58.100 -0.511 0.000 1.504 116 Y CB -0.129 38.294 38.460 -0.061 0.000 1.366 116 Y HN 0.510 nan 8.280 nan 0.000 0.621 117 G N -1.647 107.215 108.800 0.103 0.000 3.107 117 G HA2 0.522 4.481 3.960 -0.001 0.000 0.232 117 G HA3 0.522 4.481 3.960 -0.001 0.000 0.232 117 G C 0.077 174.917 174.900 -0.100 0.000 1.339 117 G CA -0.996 44.059 45.100 -0.074 0.000 1.033 117 G HN 1.668 nan 8.290 nan 0.000 0.567 118 G N -2.543 106.028 108.800 -0.382 0.000 2.223 118 G HA2 0.411 4.371 3.960 -0.001 0.000 0.200 118 G HA3 0.411 4.371 3.960 -0.001 0.000 0.200 118 G C 1.088 175.394 174.900 -0.990 0.000 1.061 118 G CA 0.767 45.525 45.100 -0.571 0.000 0.790 118 G HN 2.317 nan 8.290 nan 0.000 0.498 119 G N -0.452 107.853 108.800 -0.825 0.000 2.225 119 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.272 119 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.272 119 G C 0.946 175.655 174.900 -0.319 0.000 0.996 119 G CA 1.017 45.705 45.100 -0.686 0.000 0.710 119 G HN 1.807 nan 8.290 nan 0.000 0.522 120 F N -3.711 116.101 119.950 -0.230 0.000 2.699 120 F HA -0.287 4.239 4.527 -0.001 0.000 0.343 120 F C 1.402 177.161 175.800 -0.068 0.000 0.633 120 F CA 1.851 59.843 58.000 -0.014 0.000 1.365 120 F CB -2.136 36.809 39.000 -0.092 0.000 1.795 120 F HN 0.811 nan 8.300 nan 0.000 0.304 121 Y N -1.226 118.907 120.300 -0.279 0.000 2.453 121 Y HA 0.679 5.228 4.550 -0.001 0.000 0.247 121 Y C 0.677 176.478 175.900 -0.165 0.000 1.124 121 Y CA 0.016 57.697 58.100 -0.698 0.000 1.243 121 Y CB -0.022 37.314 38.460 -1.872 0.000 1.213 121 Y HN 0.131 nan 8.280 nan 0.000 0.523 122 S N -0.315 115.226 115.700 -0.265 0.000 2.625 122 S HA 0.875 5.344 4.470 -0.001 0.000 0.271 122 S C -0.410 174.070 174.600 -0.200 0.000 1.161 122 S CA -0.302 57.850 58.200 -0.081 0.000 0.820 122 S CB 1.510 64.742 63.200 0.053 0.000 1.137 122 S HN 1.341 nan 8.310 nan 0.000 0.470 123 G N 0.482 109.124 108.800 -0.264 0.000 2.521 123 G HA2 0.432 4.391 3.960 -0.001 0.000 0.589 123 G HA3 0.432 4.391 3.960 -0.001 0.000 0.589 123 G C -0.953 173.287 174.900 -1.100 0.000 1.501 123 G CA -0.238 44.495 45.100 -0.611 0.000 0.887 123 G HN 1.336 nan 8.290 nan 0.000 0.654 124 S N -0.500 114.605 115.700 -0.992 0.000 2.627 124 S HA 0.789 5.258 4.470 -0.001 0.000 0.283 124 S C 0.967 175.394 174.600 -0.288 0.000 1.127 124 S CA -0.054 57.738 58.200 -0.679 0.000 0.863 124 S CB 1.868 64.877 63.200 -0.319 0.000 1.121 124 S HN 1.899 nan 8.310 nan 0.000 0.479 125 S N -0.810 114.947 115.700 0.095 0.000 2.540 125 S HA 0.023 4.492 4.470 -0.001 0.000 0.218 125 S C 1.148 175.843 174.600 0.159 0.000 0.977 125 S CA 0.475 58.922 58.200 0.413 0.000 0.918 125 S CB -0.556 62.921 63.200 0.462 0.000 0.806 125 S HN 0.839 nan 8.310 nan 0.000 0.496 126 T N 0.239 114.676 114.554 -0.195 0.000 3.105 126 T HA 0.426 4.775 4.350 -0.001 0.000 0.253 126 T C 0.443 174.851 174.700 -0.486 0.000 1.047 126 T CA -0.552 61.118 62.100 -0.717 0.000 0.944 126 T CB -0.537 67.781 68.868 -0.915 0.000 1.016 126 T HN 0.310 nan 8.240 nan 0.000 0.544 127 L N 1.956 122.960 121.223 -0.365 0.000 2.461 127 L HA 0.202 4.542 4.340 -0.001 0.000 0.272 127 L C 1.219 177.836 176.870 -0.421 0.000 1.197 127 L CA -0.540 54.004 54.840 -0.494 0.000 0.836 127 L CB 0.403 41.937 42.059 -0.874 0.000 1.105 127 L HN 0.099 nan 8.230 nan 0.000 0.477 128 D N 1.138 121.323 120.400 -0.358 0.000 2.218 128 D HA -0.121 4.518 4.640 -0.001 0.000 0.204 128 D C 1.941 178.038 176.300 -0.340 0.000 0.976 128 D CA 1.065 54.923 54.000 -0.238 0.000 0.853 128 D CB 0.031 40.720 40.800 -0.185 0.000 0.939 128 D HN 0.496 nan 8.370 nan 0.000 0.481 129 V N -0.842 118.717 119.914 -0.591 0.000 2.970 129 V HA -0.155 3.965 4.120 -0.001 0.000 0.260 129 V C 1.172 176.825 176.094 -0.735 0.000 1.100 129 V CA 0.933 62.850 62.300 -0.639 0.000 1.122 129 V CB -1.063 30.276 31.823 -0.806 0.000 0.721 129 V HN 0.067 nan 8.190 nan 0.000 0.483 130 Y N 0.061 119.910 120.300 -0.752 0.000 2.571 130 Y HA 0.410 4.960 4.550 -0.001 0.000 0.275 130 Y C 1.039 176.576 175.900 -0.605 0.000 1.179 130 Y CA -1.802 55.615 58.100 -1.137 0.000 1.242 130 Y CB -1.063 37.018 38.460 -0.631 0.000 1.126 130 Y HN 0.236 nan 8.280 nan 0.000 0.524 131 N N 1.455 120.036 118.700 -0.198 0.000 2.416 131 N HA -0.016 4.723 4.740 -0.001 0.000 0.271 131 N C 1.325 176.625 175.510 -0.351 0.000 1.245 131 N CA 0.513 53.485 53.050 -0.130 0.000 0.940 131 N CB 1.141 39.656 38.487 0.047 0.000 1.175 131 N HN 0.519 nan 8.380 nan 0.000 0.483 132 G N 3.312 111.332 108.800 -1.299 0.000 2.848 132 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.208 132 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.208 132 G C 1.489 175.742 174.900 -1.078 0.000 1.152 132 G CA 0.361 44.789 45.100 -1.121 0.000 0.789 132 G HN 0.729 nan 8.290 nan 0.000 0.531 133 K N -0.331 119.320 120.400 -1.249 0.000 2.097 133 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 133 K C 1.783 178.164 176.600 -0.365 0.000 1.049 133 K CA 1.200 57.104 56.287 -0.637 0.000 0.933 133 K CB -0.544 31.689 32.500 -0.445 0.000 0.717 133 K HN 0.371 nan 8.250 nan 0.000 0.442 134 Y N 0.991 121.202 120.300 -0.150 0.000 2.200 134 Y HA -0.125 4.424 4.550 -0.001 0.000 0.290 134 Y C 2.378 178.269 175.900 -0.015 0.000 1.137 134 Y CA 0.737 58.802 58.100 -0.058 0.000 1.163 134 Y CB -0.388 38.015 38.460 -0.094 0.000 0.988 134 Y HN 0.043 nan 8.280 nan 0.000 0.518 135 L N 0.242 121.486 121.223 0.035 0.000 2.072 135 L HA -0.026 4.313 4.340 -0.001 0.000 0.205 135 L C 2.366 179.233 176.870 -0.005 0.000 1.079 135 L CA 1.744 56.554 54.840 -0.050 0.000 0.752 135 L CB -1.023 40.892 42.059 -0.239 0.000 0.906 135 L HN 0.136 nan 8.230 nan 0.000 0.436 136 A N -1.030 121.794 122.820 0.008 0.000 1.865 136 A HA -0.302 4.017 4.320 -0.001 0.000 0.217 136 A C 2.311 179.965 177.584 0.118 0.000 1.191 136 A CA 2.057 54.150 52.037 0.093 0.000 0.623 136 A CB -1.287 17.827 19.000 0.190 0.000 0.826 136 A HN 0.630 nan 8.150 nan 0.000 0.444 137 Y N 1.078 121.391 120.300 0.022 0.000 2.109 137 Y HA -0.161 4.389 4.550 -0.001 0.000 0.285 137 Y C 2.593 178.515 175.900 0.037 0.000 1.131 137 Y CA 2.442 60.562 58.100 0.035 0.000 1.121 137 Y CB -0.773 37.693 38.460 0.010 0.000 0.987 137 Y HN 0.279 nan 8.280 nan 0.000 0.495 138 T N 0.657 115.305 114.554 0.157 0.000 2.977 138 T HA -0.114 4.235 4.350 -0.001 0.000 0.271 138 T C 0.981 175.666 174.700 -0.025 0.000 1.105 138 T CA 1.591 63.715 62.100 0.041 0.000 1.116 138 T CB -0.110 68.836 68.868 0.130 0.000 0.878 138 T HN 0.428 nan 8.240 nan 0.000 0.509 139 E N 0.088 120.282 120.200 -0.011 0.000 2.630 139 E HA 0.153 4.502 4.350 -0.001 0.000 0.218 139 E C 0.005 176.603 176.600 -0.002 0.000 0.977 139 E CA -0.061 56.348 56.400 0.015 0.000 1.038 139 E CB 0.522 30.241 29.700 0.031 0.000 1.051 139 E HN 0.478 nan 8.360 nan 0.000 0.487 140 E N 0.484 120.666 120.200 -0.031 0.000 2.320 140 E HA -0.173 4.177 4.350 -0.001 0.000 0.234 140 E C -0.450 176.164 176.600 0.024 0.000 1.183 140 E CA 0.580 56.974 56.400 -0.011 0.000 0.713 140 E CB -1.210 28.478 29.700 -0.020 0.000 1.226 140 E HN 0.169 nan 8.360 nan 0.000 0.382 141 V N -3.282 116.656 119.914 0.040 0.000 2.769 141 V HA 0.689 4.809 4.120 -0.001 0.000 0.312 141 V C 0.413 176.569 176.094 0.103 0.000 1.061 141 V CA -1.060 61.270 62.300 0.050 0.000 0.931 141 V CB 2.201 34.034 31.823 0.017 0.000 1.010 141 V HN -0.060 nan 8.190 nan 0.000 0.433 142 V N 5.055 125.038 119.914 0.114 0.000 2.488 142 V HA 0.346 4.465 4.120 -0.001 0.000 0.277 142 V C 0.088 176.294 176.094 0.186 0.000 1.046 142 V CA -0.077 62.322 62.300 0.164 0.000 0.986 142 V CB 1.055 32.961 31.823 0.139 0.000 0.989 142 V HN 0.825 nan 8.190 nan 0.000 0.475 143 L N 6.459 127.852 121.223 0.282 0.000 2.313 143 L HA 0.666 5.005 4.340 -0.001 0.000 0.283 143 L C -0.776 176.379 176.870 0.475 0.000 1.013 143 L CA -0.372 54.678 54.840 0.350 0.000 0.816 143 L CB 1.774 44.028 42.059 0.325 0.000 1.236 143 L HN 0.417 nan 8.230 nan 0.000 0.419 144 V N 2.863 123.029 119.914 0.420 0.000 2.667 144 V HA 0.605 4.725 4.120 -0.001 0.000 0.308 144 V C -0.258 176.135 176.094 0.499 0.000 1.048 144 V CA -0.505 62.028 62.300 0.388 0.000 0.928 144 V CB 2.103 34.065 31.823 0.232 0.000 1.004 144 V HN 0.857 nan 8.190 nan 0.000 0.444 145 S N 4.261 120.258 115.700 0.496 0.000 2.594 145 S HA 0.825 5.295 4.470 -0.001 0.000 0.296 145 S C -0.896 173.911 174.600 0.344 0.000 1.124 145 S CA -0.779 57.737 58.200 0.527 0.000 1.011 145 S CB 1.552 65.182 63.200 0.716 0.000 1.016 145 S HN 0.688 nan 8.310 nan 0.000 0.485 146 L N 0.598 121.954 121.223 0.221 0.000 2.421 146 L HA 1.027 5.367 4.340 -0.001 0.000 0.267 146 L C 0.069 177.063 176.870 0.206 0.000 1.036 146 L CA -0.737 54.191 54.840 0.146 0.000 0.829 146 L CB 0.431 42.451 42.059 -0.064 0.000 1.437 146 L HN 0.911 nan 8.230 nan 0.000 0.488 147 S N -1.459 114.415 115.700 0.289 0.000 2.579 147 S HA 0.872 5.341 4.470 -0.001 0.000 0.272 147 S C -1.347 173.478 174.600 0.376 0.000 1.141 147 S CA -0.552 57.838 58.200 0.316 0.000 0.843 147 S CB 1.462 64.913 63.200 0.418 0.000 1.122 147 S HN 1.214 nan 8.310 nan 0.000 0.468 148 Y N -1.380 119.055 120.300 0.224 0.000 2.558 148 Y HA 0.702 5.251 4.550 -0.001 0.000 0.333 148 Y C -0.650 175.406 175.900 0.260 0.000 1.125 148 Y CA -1.394 56.829 58.100 0.205 0.000 1.039 148 Y CB 0.776 39.305 38.460 0.115 0.000 1.331 148 Y HN 0.786 nan 8.280 nan 0.000 0.456 149 R N 1.777 122.457 120.500 0.299 0.000 2.623 149 R HA 0.514 4.853 4.340 -0.001 0.000 0.271 149 R C -0.157 176.373 176.300 0.384 0.000 1.043 149 R CA -0.026 56.205 56.100 0.219 0.000 1.083 149 R CB 0.898 31.277 30.300 0.133 0.000 0.974 149 R HN 0.715 nan 8.270 nan 0.000 0.436 150 V N -0.748 119.407 119.914 0.402 0.000 3.164 150 V HA 0.892 5.012 4.120 -0.001 0.000 0.313 150 V C 0.616 177.097 176.094 0.644 0.000 1.188 150 V CA -0.140 62.531 62.300 0.618 0.000 1.058 150 V CB 1.140 33.213 31.823 0.416 0.000 1.110 150 V HN 0.975 nan 8.190 nan 0.000 0.453 151 G N 0.264 109.504 108.800 0.732 0.000 2.598 151 G HA2 0.030 3.989 3.960 -0.001 0.000 0.269 151 G HA3 0.030 3.989 3.960 -0.001 0.000 0.269 151 G C 1.051 176.349 174.900 0.664 0.000 1.289 151 G CA 1.206 46.798 45.100 0.820 0.000 0.926 151 G HN 2.301 nan 8.290 nan 0.000 0.567 152 A N -1.325 121.634 122.820 0.232 0.000 1.917 152 A HA 0.111 4.430 4.320 -0.001 0.000 0.219 152 A C 2.271 179.808 177.584 -0.079 0.000 1.182 152 A CA 2.760 54.497 52.037 -0.501 0.000 0.633 152 A CB -0.582 17.933 19.000 -0.808 0.000 0.819 152 A HN 1.034 nan 8.150 nan 0.000 0.448 153 F N -0.003 120.038 119.950 0.152 0.000 2.120 153 F HA -0.114 4.413 4.527 -0.001 0.000 0.300 153 F C 2.482 178.287 175.800 0.009 0.000 1.095 153 F CA 1.457 59.467 58.000 0.016 0.000 1.249 153 F CB -0.737 38.248 39.000 -0.026 0.000 0.995 153 F HN 0.302 nan 8.300 nan 0.000 0.480 154 G N -2.920 106.001 108.800 0.202 0.000 3.044 154 G HA2 0.091 4.050 3.960 -0.001 0.000 0.223 154 G HA3 0.091 4.050 3.960 -0.001 0.000 0.223 154 G C 0.712 175.154 174.900 -0.764 0.000 1.123 154 G CA 0.052 45.018 45.100 -0.224 0.000 0.765 154 G HN 0.327 nan 8.290 nan 0.000 0.546 155 F N -0.553 119.533 119.950 0.227 0.000 2.856 155 F HA 0.400 4.927 4.527 -0.001 0.000 0.338 155 F C 0.359 176.226 175.800 0.112 0.000 1.100 155 F CA -1.069 57.033 58.000 0.169 0.000 1.150 155 F CB 0.490 39.621 39.000 0.218 0.000 1.101 155 F HN -0.075 nan 8.300 nan 0.000 0.548 156 L N 2.483 123.719 121.223 0.023 0.000 2.628 156 L HA 0.367 4.706 4.340 -0.001 0.000 0.274 156 L C 0.157 177.007 176.870 -0.034 0.000 1.209 156 L CA -0.056 54.662 54.840 -0.203 0.000 0.930 156 L CB -0.224 41.512 42.059 -0.539 0.000 1.183 156 L HN 0.161 nan 8.230 nan 0.000 0.492 157 A N 7.141 129.990 122.820 0.049 0.000 2.285 157 A HA 0.625 4.944 4.320 -0.001 0.000 0.310 157 A C -0.710 176.892 177.584 0.030 0.000 1.266 157 A CA -0.503 51.566 52.037 0.053 0.000 0.832 157 A CB 0.396 19.452 19.000 0.094 0.000 1.163 157 A HN 0.726 nan 8.150 nan 0.000 0.499 158 L N 3.682 124.914 121.223 0.015 0.000 2.387 158 L HA 0.237 4.577 4.340 -0.001 0.000 0.259 158 L C 0.001 176.917 176.870 0.077 0.000 1.050 158 L CA -0.808 54.044 54.840 0.019 0.000 0.922 158 L CB 0.422 42.458 42.059 -0.037 0.000 1.280 158 L HN 0.874 nan 8.230 nan 0.000 0.449 159 H N 1.992 121.063 119.070 0.001 0.000 3.064 159 H HA 0.237 4.792 4.556 -0.001 0.000 0.329 159 H C 1.098 176.431 175.328 0.008 0.000 1.020 159 H CA 1.496 57.551 56.048 0.012 0.000 1.402 159 H CB 0.872 30.645 29.762 0.017 0.000 1.379 159 H HN 0.720 nan 8.280 nan 0.000 0.594 160 G N 2.612 111.199 108.800 -0.356 0.000 2.475 160 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.209 160 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.209 160 G C 0.580 175.406 174.900 -0.124 0.000 1.127 160 G CA 0.225 45.160 45.100 -0.275 0.000 0.681 160 G HN 0.893 nan 8.290 nan 0.000 0.517 161 S N 0.433 116.098 115.700 -0.058 0.000 2.585 161 S HA 0.520 4.990 4.470 -0.001 0.000 0.273 161 S C 1.166 175.760 174.600 -0.010 0.000 1.339 161 S CA 0.624 58.808 58.200 -0.027 0.000 1.028 161 S CB 1.127 64.317 63.200 -0.015 0.000 0.906 161 S HN 0.346 nan 8.310 nan 0.000 0.528 162 Q N 1.364 121.166 119.800 0.003 0.000 2.281 162 Q HA 0.193 4.533 4.340 -0.001 0.000 0.215 162 Q C 0.906 176.931 176.000 0.040 0.000 0.867 162 Q CA 0.119 55.934 55.803 0.020 0.000 0.940 162 Q CB 0.250 28.997 28.738 0.016 0.000 1.111 162 Q HN 0.676 nan 8.270 nan 0.000 0.513 163 E N 0.662 120.886 120.200 0.041 0.000 2.318 163 E HA 0.123 4.473 4.350 -0.001 0.000 0.193 163 E C 0.141 176.800 176.600 0.098 0.000 0.998 163 E CA 0.342 56.784 56.400 0.070 0.000 0.859 163 E CB 0.711 30.451 29.700 0.066 0.000 0.812 163 E HN 0.148 nan 8.360 nan 0.000 0.492 164 A N 1.455 124.307 122.820 0.054 0.000 3.399 164 A HA 0.256 4.576 4.320 -0.001 0.000 0.262 164 A C -2.163 175.437 177.584 0.028 0.000 1.145 164 A CA -0.746 51.315 52.037 0.040 0.000 0.916 164 A CB 0.616 19.561 19.000 -0.092 0.000 1.360 164 A HN -0.126 nan 8.150 nan 0.000 0.628 165 P HA 0.189 nan 4.420 nan 0.000 0.225 165 P C 0.926 178.289 177.300 0.106 0.000 1.156 165 P CA 1.786 64.939 63.100 0.087 0.000 0.787 165 P CB 0.336 32.089 31.700 0.087 0.000 0.802 166 G N 0.426 109.271 108.800 0.074 0.000 2.603 166 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.686 166 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.686 166 G C -0.206 174.717 174.900 0.039 0.000 1.286 166 G CA -0.255 44.889 45.100 0.073 0.000 0.871 166 G HN 0.094 nan 8.290 nan 0.000 0.568 167 N N -2.325 116.401 118.700 0.044 0.000 2.732 167 N HA -0.269 4.470 4.740 -0.001 0.000 0.250 167 N C 1.929 177.329 175.510 -0.184 0.000 1.097 167 N CA 2.580 55.602 53.050 -0.047 0.000 0.812 167 N CB -1.549 36.856 38.487 -0.136 0.000 1.148 167 N HN 1.946 nan 8.380 nan 0.000 0.572 168 V N -2.870 116.913 119.914 -0.219 0.000 2.626 168 V HA 0.008 4.128 4.120 -0.001 0.000 0.252 168 V C 2.274 178.260 176.094 -0.181 0.000 1.067 168 V CA 2.299 64.516 62.300 -0.137 0.000 1.081 168 V CB -0.871 30.918 31.823 -0.055 0.000 0.686 168 V HN 0.276 nan 8.190 nan 0.000 0.468 169 G N 0.518 109.015 108.800 -0.505 0.000 2.422 169 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.218 169 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.218 169 G C 1.548 176.436 174.900 -0.021 0.000 1.146 169 G CA 1.229 46.170 45.100 -0.264 0.000 0.769 169 G HN 0.551 nan 8.290 nan 0.000 0.547 170 L N -0.166 121.023 121.223 -0.057 0.000 2.156 170 L HA 0.092 4.431 4.340 -0.001 0.000 0.208 170 L C 2.804 179.780 176.870 0.176 0.000 1.095 170 L CA 0.294 55.126 54.840 -0.012 0.000 0.770 170 L CB -0.235 41.576 42.059 -0.413 0.000 0.914 170 L HN 0.181 nan 8.230 nan 0.000 0.439 171 L N -0.718 120.590 121.223 0.141 0.000 2.093 171 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 171 L C 2.202 179.170 176.870 0.164 0.000 1.085 171 L CA 0.863 55.823 54.840 0.199 0.000 0.755 171 L CB -0.634 41.515 42.059 0.150 0.000 0.904 171 L HN 0.259 nan 8.230 nan 0.000 0.435 172 D N 0.121 120.617 120.400 0.161 0.000 2.106 172 D HA -0.237 4.403 4.640 -0.001 0.000 0.191 172 D C 2.263 178.657 176.300 0.156 0.000 0.997 172 D CA 1.334 55.487 54.000 0.255 0.000 0.834 172 D CB -0.246 40.739 40.800 0.307 0.000 0.956 172 D HN 0.375 nan 8.370 nan 0.000 0.448 173 Q N -0.016 119.841 119.800 0.096 0.000 2.061 173 Q HA -0.161 4.179 4.340 -0.001 0.000 0.204 173 Q C 2.333 178.249 176.000 -0.140 0.000 0.984 173 Q CA 1.154 56.932 55.803 -0.041 0.000 0.846 173 Q CB -0.105 28.638 28.738 0.009 0.000 0.902 173 Q HN 0.210 nan 8.270 nan 0.000 0.421 174 R N 0.418 120.903 120.500 -0.025 0.000 2.105 174 R HA -0.177 4.163 4.340 -0.001 0.000 0.239 174 R C 2.224 178.492 176.300 -0.053 0.000 1.135 174 R CA 1.542 57.598 56.100 -0.073 0.000 0.967 174 R CB -0.144 30.208 30.300 0.086 0.000 0.861 174 R HN 0.253 nan 8.270 nan 0.000 0.442 175 M N 0.143 119.743 119.600 0.001 0.000 2.086 175 M HA -0.104 4.375 4.480 -0.001 0.000 0.261 175 M C 2.113 178.343 176.300 -0.117 0.000 1.067 175 M CA 2.092 57.429 55.300 0.062 0.000 1.116 175 M CB -0.111 32.636 32.600 0.245 0.000 1.348 175 M HN 0.236 nan 8.290 nan 0.000 0.407 176 A N 0.300 122.737 122.820 -0.639 0.000 1.908 176 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 176 A C 2.111 179.556 177.584 -0.231 0.000 1.181 176 A CA 1.825 53.308 52.037 -0.924 0.000 0.627 176 A CB -1.209 17.065 19.000 -1.210 0.000 0.818 176 A HN 0.600 nan 8.150 nan 0.000 0.445 177 L N -1.150 119.967 121.223 -0.177 0.000 2.083 177 L HA -0.238 4.101 4.340 -0.001 0.000 0.209 177 L C 2.874 179.782 176.870 0.062 0.000 1.083 177 L CA 1.765 56.576 54.840 -0.047 0.000 0.752 177 L CB -0.485 41.505 42.059 -0.115 0.000 0.899 177 L HN 0.516 nan 8.230 nan 0.000 0.433 178 Q N -0.384 119.452 119.800 0.060 0.000 2.084 178 Q HA -0.259 4.080 4.340 -0.001 0.000 0.202 178 Q C 1.992 178.102 176.000 0.185 0.000 0.978 178 Q CA 1.944 57.813 55.803 0.110 0.000 0.844 178 Q CB -0.456 28.340 28.738 0.096 0.000 0.898 178 Q HN 0.460 nan 8.270 nan 0.000 0.426 179 W N -0.568 120.750 121.300 0.030 0.000 2.355 179 W HA -0.183 4.477 4.660 -0.001 0.000 0.309 179 W C 1.849 178.407 176.519 0.066 0.000 1.206 179 W CA 1.936 59.321 57.345 0.065 0.000 1.284 179 W CB -0.164 29.338 29.460 0.071 0.000 1.145 179 W HN 0.038 nan 8.180 nan 0.000 0.502 180 V N -0.110 120.014 119.914 0.351 0.000 2.407 180 V HA -0.370 3.750 4.120 -0.001 0.000 0.248 180 V C 2.468 178.597 176.094 0.059 0.000 1.055 180 V CA 2.316 64.746 62.300 0.216 0.000 1.049 180 V CB -1.449 30.489 31.823 0.191 0.000 0.662 180 V HN 0.384 nan 8.190 nan 0.000 0.455 181 H N 0.529 119.596 119.070 -0.006 0.000 2.387 181 H HA -0.156 4.399 4.556 -0.001 0.000 0.299 181 H C 1.831 177.091 175.328 -0.113 0.000 1.090 181 H CA 1.919 57.939 56.048 -0.047 0.000 1.332 181 H CB 0.148 29.895 29.762 -0.025 0.000 1.386 181 H HN 0.432 nan 8.280 nan 0.000 0.516 182 D N -0.208 120.087 120.400 -0.175 0.000 2.213 182 D HA -0.054 4.586 4.640 -0.001 0.000 0.205 182 D C 1.369 177.481 176.300 -0.314 0.000 0.961 182 D CA 0.587 54.435 54.000 -0.253 0.000 0.853 182 D CB 0.033 40.732 40.800 -0.168 0.000 0.967 182 D HN 0.484 nan 8.370 nan 0.000 0.496 183 N N -0.059 118.383 118.700 -0.431 0.000 2.317 183 N HA 0.021 4.760 4.740 -0.001 0.000 0.199 183 N C 1.664 177.096 175.510 -0.131 0.000 1.145 183 N CA -0.190 52.681 53.050 -0.298 0.000 0.882 183 N CB 0.809 38.831 38.487 -0.775 0.000 1.113 183 N HN -0.002 nan 8.380 nan 0.000 0.486 184 I N 3.444 123.946 120.570 -0.113 0.000 2.381 184 I HA -0.315 3.855 4.170 -0.001 0.000 0.255 184 I C 2.653 178.764 176.117 -0.010 0.000 1.140 184 I CA 1.442 62.778 61.300 0.059 0.000 1.404 184 I CB -0.265 37.749 38.000 0.024 0.000 1.075 184 I HN 0.228 nan 8.210 nan 0.000 0.433 185 Q N -0.586 119.021 119.800 -0.321 0.000 2.124 185 Q HA -0.256 4.084 4.340 -0.001 0.000 0.202 185 Q C 2.114 177.897 176.000 -0.361 0.000 0.977 185 Q CA 1.795 57.356 55.803 -0.403 0.000 0.850 185 Q CB -1.089 27.282 28.738 -0.612 0.000 0.901 185 Q HN 0.433 nan 8.270 nan 0.000 0.429 186 F N 0.210 120.109 119.950 -0.086 0.000 2.408 186 F HA -0.019 4.508 4.527 -0.001 0.000 0.300 186 F C 1.104 176.689 175.800 -0.358 0.000 1.090 186 F CA 0.578 58.432 58.000 -0.243 0.000 1.427 186 F CB -0.325 38.450 39.000 -0.375 0.000 1.070 186 F HN 0.009 nan 8.300 nan 0.000 0.549 187 F N -0.724 119.230 119.950 0.006 0.000 2.664 187 F HA 0.439 4.965 4.527 -0.001 0.000 0.303 187 F C 1.718 177.521 175.800 0.006 0.000 1.092 187 F CA 0.214 58.197 58.000 -0.028 0.000 1.305 187 F CB 0.025 38.973 39.000 -0.088 0.000 1.054 187 F HN 0.006 nan 8.300 nan 0.000 0.565 188 G N 0.333 109.209 108.800 0.126 0.000 2.141 188 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.231 188 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.231 188 G C 0.483 175.420 174.900 0.062 0.000 0.984 188 G CA -0.275 44.871 45.100 0.077 0.000 0.660 188 G HN 0.725 nan 8.290 nan 0.000 0.525 189 G N -0.394 108.443 108.800 0.062 0.000 2.389 189 G HA2 0.525 4.485 3.960 -0.001 0.000 0.317 189 G HA3 0.525 4.485 3.960 -0.001 0.000 0.317 189 G C -0.766 174.118 174.900 -0.026 0.000 1.137 189 G CA 0.177 45.298 45.100 0.035 0.000 0.870 189 G HN 0.318 nan 8.290 nan 0.000 0.496 190 D N 2.174 122.559 120.400 -0.024 0.000 2.411 190 D HA 0.271 4.911 4.640 -0.001 0.000 0.225 190 D C -0.773 175.499 176.300 -0.046 0.000 1.156 190 D CA -2.288 51.681 54.000 -0.052 0.000 0.874 190 D CB 1.639 42.416 40.800 -0.040 0.000 1.034 190 D HN 0.084 nan 8.370 nan 0.000 0.502 191 P HA -0.190 nan 4.420 nan 0.000 0.222 191 P C 0.494 177.794 177.300 0.000 0.000 1.142 191 P CA 0.777 63.838 63.100 -0.065 0.000 0.788 191 P CB 0.321 31.890 31.700 -0.219 0.000 0.767 192 K N -0.637 119.749 120.400 -0.023 0.000 2.417 192 K HA 0.161 4.481 4.320 -0.001 0.000 0.196 192 K C 0.438 177.031 176.600 -0.012 0.000 1.023 192 K CA 0.302 56.585 56.287 -0.008 0.000 1.122 192 K CB -0.425 32.059 32.500 -0.026 0.000 0.850 192 K HN 0.073 nan 8.250 nan 0.000 0.521 193 T N 0.502 115.053 114.554 -0.006 0.000 3.839 193 T HA 0.146 4.495 4.350 -0.001 0.000 0.230 193 T C -0.739 173.967 174.700 0.010 0.000 1.095 193 T CA -0.539 61.551 62.100 -0.016 0.000 1.470 193 T CB 0.431 69.278 68.868 -0.034 0.000 0.881 193 T HN -0.024 nan 8.240 nan 0.000 0.637 194 V N -0.093 119.855 119.914 0.056 0.000 2.483 194 V HA 0.841 4.961 4.120 -0.001 0.000 0.295 194 V C -0.467 175.707 176.094 0.134 0.000 1.035 194 V CA -0.191 62.166 62.300 0.095 0.000 0.896 194 V CB 1.819 33.721 31.823 0.132 0.000 0.986 194 V HN 0.312 nan 8.190 nan 0.000 0.447 195 T N 8.024 122.642 114.554 0.106 0.000 2.779 195 T HA 0.583 4.933 4.350 -0.001 0.000 0.280 195 T C -0.041 174.761 174.700 0.169 0.000 0.987 195 T CA -0.185 61.989 62.100 0.124 0.000 0.966 195 T CB 0.846 69.735 68.868 0.036 0.000 0.933 195 T HN 0.925 nan 8.240 nan 0.000 0.442 196 I N 1.757 122.409 120.570 0.137 0.000 2.385 196 I HA 0.849 5.018 4.170 -0.001 0.000 0.294 196 I C -0.895 175.392 176.117 0.283 0.000 0.988 196 I CA -0.957 60.419 61.300 0.126 0.000 1.265 196 I CB 0.889 38.758 38.000 -0.220 0.000 1.388 196 I HN 0.468 nan 8.210 nan 0.000 0.480 197 F N 3.296 123.273 119.950 0.044 0.000 2.601 197 F HA 1.009 5.536 4.527 -0.001 0.000 0.309 197 F C -0.415 175.320 175.800 -0.108 0.000 1.089 197 F CA -1.498 56.558 58.000 0.094 0.000 0.940 197 F CB 1.320 40.510 39.000 0.316 0.000 1.273 197 F HN 0.819 nan 8.300 nan 0.000 0.450 198 G N 1.046 109.665 108.800 -0.301 0.000 2.623 198 G HA2 0.512 4.472 3.960 -0.001 0.000 0.290 198 G HA3 0.512 4.472 3.960 -0.001 0.000 0.290 198 G C -2.498 172.180 174.900 -0.369 0.000 1.437 198 G CA -0.781 43.801 45.100 -0.864 0.000 0.798 198 G HN 0.881 nan 8.290 nan 0.000 0.488 199 E N 0.050 120.021 120.200 -0.382 0.000 2.312 199 E HA 0.659 5.008 4.350 -0.001 0.000 0.267 199 E C 0.497 177.007 176.600 -0.148 0.000 0.894 199 E CA 0.350 56.704 56.400 -0.076 0.000 0.773 199 E CB 2.242 32.014 29.700 0.120 0.000 1.241 199 E HN 1.151 nan 8.360 nan 0.000 0.432 200 S N 2.394 118.058 115.700 -0.060 0.000 3.961 200 S HA -0.359 4.111 4.470 -0.001 0.000 0.627 200 S C 1.366 175.980 174.600 0.025 0.000 2.148 200 S CA 1.924 60.100 58.200 -0.040 0.000 4.099 200 S CB -1.686 61.333 63.200 -0.301 0.000 0.219 200 S HN 1.133 nan 8.310 nan 0.000 0.744 201 A N 0.983 123.648 122.820 -0.259 0.000 2.125 201 A HA 0.200 4.519 4.320 -0.001 0.000 0.219 201 A C 2.422 179.783 177.584 -0.371 0.000 1.156 201 A CA 2.276 53.992 52.037 -0.536 0.000 0.671 201 A CB -1.542 16.533 19.000 -1.541 0.000 0.794 201 A HN 1.673 nan 8.150 nan 0.000 0.459 202 G N -0.636 107.987 108.800 -0.295 0.000 2.421 202 G HA2 0.100 4.059 3.960 -0.001 0.000 0.217 202 G HA3 0.100 4.059 3.960 -0.001 0.000 0.217 202 G C 1.420 176.150 174.900 -0.284 0.000 1.143 202 G CA 1.096 45.983 45.100 -0.356 0.000 0.784 202 G HN 0.624 nan 8.290 nan 0.000 0.541 203 G N 0.990 109.679 108.800 -0.185 0.000 2.396 203 G HA2 0.140 4.099 3.960 -0.001 0.000 0.214 203 G HA3 0.140 4.099 3.960 -0.001 0.000 0.214 203 G C 2.039 176.836 174.900 -0.172 0.000 1.166 203 G CA 1.343 46.358 45.100 -0.142 0.000 0.793 203 G HN 0.555 nan 8.290 nan 0.000 0.533 204 A N 1.046 123.798 122.820 -0.113 0.000 1.908 204 A HA -0.034 4.285 4.320 -0.001 0.000 0.218 204 A C 2.698 180.220 177.584 -0.103 0.000 1.181 204 A CA 2.370 54.322 52.037 -0.142 0.000 0.627 204 A CB -0.691 18.286 19.000 -0.039 0.000 0.818 204 A HN 0.308 nan 8.150 nan 0.000 0.445 205 S N -0.544 115.113 115.700 -0.071 0.000 2.356 205 S HA -0.138 4.332 4.470 -0.001 0.000 0.223 205 S C 1.899 176.389 174.600 -0.183 0.000 1.032 205 S CA 1.352 59.476 58.200 -0.127 0.000 1.005 205 S CB -0.568 62.530 63.200 -0.169 0.000 0.867 205 S HN 0.334 nan 8.310 nan 0.000 0.449 206 V N 1.757 121.574 119.914 -0.163 0.000 2.282 206 V HA -0.214 3.906 4.120 -0.001 0.000 0.249 206 V C 2.610 178.614 176.094 -0.149 0.000 1.057 206 V CA 2.097 64.306 62.300 -0.152 0.000 1.032 206 V CB -1.473 30.253 31.823 -0.161 0.000 0.645 206 V HN 0.607 nan 8.190 nan 0.000 0.447 207 G N -0.994 107.677 108.800 -0.215 0.000 2.440 207 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 207 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 207 G C 1.587 176.463 174.900 -0.039 0.000 1.154 207 G CA 1.132 46.084 45.100 -0.247 0.000 0.767 207 G HN 0.467 nan 8.290 nan 0.000 0.552 208 M N 0.056 119.638 119.600 -0.030 0.000 2.358 208 M HA -0.016 4.464 4.480 -0.001 0.000 0.264 208 M C 1.997 178.352 176.300 0.092 0.000 1.064 208 M CA 0.862 56.263 55.300 0.167 0.000 1.093 208 M CB -0.163 32.566 32.600 0.216 0.000 1.401 208 M HN 0.209 nan 8.290 nan 0.000 0.440 209 H N -0.821 118.352 119.070 0.171 0.000 2.551 209 H HA 0.170 4.726 4.556 -0.001 0.000 0.266 209 H C 1.995 177.544 175.328 0.368 0.000 0.964 209 H CA 0.850 57.004 56.048 0.177 0.000 1.180 209 H CB 0.122 29.880 29.762 -0.008 0.000 1.408 209 H HN 0.421 nan 8.280 nan 0.000 0.563 210 I N 0.290 121.112 120.570 0.420 0.000 2.500 210 I HA -0.180 3.990 4.170 -0.001 0.000 0.252 210 I C 2.061 178.409 176.117 0.385 0.000 1.142 210 I CA 0.688 62.281 61.300 0.488 0.000 1.451 210 I CB 0.119 38.334 38.000 0.358 0.000 1.093 210 I HN 0.124 nan 8.210 nan 0.000 0.430 211 L N -0.692 120.722 121.223 0.318 0.000 2.102 211 L HA -0.018 4.322 4.340 -0.001 0.000 0.202 211 L C 1.527 178.499 176.870 0.171 0.000 1.076 211 L CA 0.312 55.340 54.840 0.313 0.000 0.761 211 L CB -0.368 41.918 42.059 0.378 0.000 0.921 211 L HN 0.058 nan 8.230 nan 0.000 0.444 212 S N 0.425 116.136 115.700 0.019 0.000 2.509 212 S HA 0.066 4.535 4.470 -0.001 0.000 0.287 212 S C -1.489 172.991 174.600 -0.200 0.000 1.248 212 S CA -1.274 56.745 58.200 -0.303 0.000 1.089 212 S CB 0.834 63.424 63.200 -1.015 0.000 0.900 212 S HN -0.067 nan 8.310 nan 0.000 0.496 213 P HA -0.058 nan 4.420 nan 0.000 0.216 213 P C 1.446 178.658 177.300 -0.146 0.000 1.150 213 P CA 1.144 64.174 63.100 -0.116 0.000 0.843 213 P CB -0.114 31.527 31.700 -0.099 0.000 0.787 214 G N -1.512 107.153 108.800 -0.226 0.000 2.625 214 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.214 214 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.214 214 G C 1.365 176.173 174.900 -0.154 0.000 1.132 214 G CA 0.633 45.614 45.100 -0.199 0.000 0.782 214 G HN 0.240 nan 8.290 nan 0.000 0.538 215 S N -0.712 114.918 115.700 -0.118 0.000 2.524 215 S HA 0.118 4.588 4.470 -0.001 0.000 0.222 215 S C 2.151 176.820 174.600 0.116 0.000 1.040 215 S CA -0.460 57.770 58.200 0.050 0.000 0.915 215 S CB 0.264 63.618 63.200 0.257 0.000 0.831 215 S HN 0.357 nan 8.310 nan 0.000 0.492 216 R N 1.864 122.367 120.500 0.005 0.000 2.139 216 R HA -0.104 4.235 4.340 -0.001 0.000 0.243 216 R C 0.591 176.661 176.300 -0.384 0.000 1.145 216 R CA 1.561 57.556 56.100 -0.174 0.000 0.976 216 R CB -0.357 29.878 30.300 -0.109 0.000 0.866 216 R HN 0.286 nan 8.270 nan 0.000 0.449 217 D N 0.137 120.391 120.400 -0.243 0.000 2.340 217 D HA 0.020 4.659 4.640 -0.001 0.000 0.220 217 D C 1.257 177.390 176.300 -0.278 0.000 1.039 217 D CA 0.551 54.392 54.000 -0.265 0.000 0.866 217 D CB 0.213 40.886 40.800 -0.212 0.000 0.913 217 D HN 0.223 nan 8.370 nan 0.000 0.523 218 L N -0.142 120.973 121.223 -0.180 0.000 2.591 218 L HA 0.169 4.508 4.340 -0.001 0.000 0.228 218 L C -0.028 176.937 176.870 0.158 0.000 1.133 218 L CA -0.015 54.793 54.840 -0.054 0.000 0.880 218 L CB -0.288 41.784 42.059 0.021 0.000 1.033 218 L HN -0.060 nan 8.230 nan 0.000 0.450 219 F N -4.321 115.612 119.950 -0.029 0.000 2.711 219 F HA 0.606 5.132 4.527 -0.001 0.000 0.313 219 F C 0.375 176.183 175.800 0.012 0.000 1.141 219 F CA -1.341 56.663 58.000 0.007 0.000 0.941 219 F CB 1.174 40.181 39.000 0.013 0.000 1.349 219 F HN -0.410 nan 8.300 nan 0.000 0.464 220 R N 0.723 121.288 120.500 0.108 0.000 2.056 220 R HA 0.478 4.818 4.340 -0.001 0.000 0.215 220 R C -0.052 176.298 176.300 0.085 0.000 1.205 220 R CA 0.989 57.091 56.100 0.004 0.000 1.020 220 R CB 0.196 30.495 30.300 -0.001 0.000 0.911 220 R HN 0.795 nan 8.270 nan 0.000 0.451 221 R N -1.065 119.544 120.500 0.183 0.000 2.939 221 R HA 0.777 5.117 4.340 -0.001 0.000 0.254 221 R C -1.239 175.263 176.300 0.337 0.000 1.123 221 R CA -0.749 55.460 56.100 0.182 0.000 1.020 221 R CB 1.954 32.163 30.300 -0.152 0.000 1.206 221 R HN 0.257 nan 8.270 nan 0.000 0.491 222 A N 0.905 123.927 122.820 0.337 0.000 2.498 222 A HA 0.760 5.079 4.320 -0.001 0.000 0.298 222 A C -1.160 176.559 177.584 0.224 0.000 1.075 222 A CA -0.694 51.483 52.037 0.233 0.000 0.714 222 A CB 1.369 20.452 19.000 0.138 0.000 1.299 222 A HN 0.586 nan 8.150 nan 0.000 0.407 223 I N 1.117 121.767 120.570 0.134 0.000 2.534 223 I HA 0.384 4.554 4.170 -0.001 0.000 0.288 223 I C -1.555 174.607 176.117 0.076 0.000 1.077 223 I CA -0.462 60.856 61.300 0.030 0.000 1.051 223 I CB 2.021 40.039 38.000 0.030 0.000 1.234 223 I HN 0.440 nan 8.210 nan 0.000 0.425 224 L N 6.518 127.751 121.223 0.016 0.000 2.333 224 L HA 0.493 4.833 4.340 -0.001 0.000 0.280 224 L C -0.620 176.317 176.870 0.113 0.000 1.004 224 L CA -0.273 54.570 54.840 0.005 0.000 0.820 224 L CB 1.734 43.717 42.059 -0.127 0.000 1.247 224 L HN 0.476 nan 8.230 nan 0.000 0.416 225 Q N 1.949 121.855 119.800 0.176 0.000 2.339 225 Q HA 0.467 4.807 4.340 -0.001 0.000 0.268 225 Q C -0.090 176.013 176.000 0.172 0.000 1.027 225 Q CA -0.599 55.380 55.803 0.294 0.000 0.759 225 Q CB 1.616 30.628 28.738 0.456 0.000 1.244 225 Q HN 0.639 nan 8.270 nan 0.000 0.464 226 S N 0.821 116.614 115.700 0.156 0.000 3.581 226 S HA -0.177 4.293 4.470 -0.001 0.000 0.354 226 S C 0.074 174.823 174.600 0.248 0.000 1.059 226 S CA 0.683 58.998 58.200 0.191 0.000 1.060 226 S CB -1.095 62.248 63.200 0.238 0.000 0.908 226 S HN 0.953 nan 8.310 nan 0.000 0.475 227 G N -0.165 108.716 108.800 0.135 0.000 2.755 227 G HA2 0.630 4.589 3.960 -0.001 0.000 0.297 227 G HA3 0.630 4.589 3.960 -0.001 0.000 0.297 227 G C -0.954 173.873 174.900 -0.122 0.000 1.441 227 G CA 0.140 45.324 45.100 0.140 0.000 0.964 227 G HN 1.060 nan 8.290 nan 0.000 0.540 228 S N 1.585 117.121 115.700 -0.273 0.000 2.541 228 S HA 0.765 5.235 4.470 -0.001 0.000 0.271 228 S C -1.978 172.322 174.600 -0.499 0.000 1.133 228 S CA -1.145 56.755 58.200 -0.499 0.000 0.876 228 S CB 3.108 66.040 63.200 -0.446 0.000 1.105 228 S HN 0.382 nan 8.310 nan 0.000 0.470 229 P HA -0.174 nan 4.420 nan 0.000 0.217 229 P C 0.735 177.825 177.300 -0.350 0.000 1.148 229 P CA 1.503 64.391 63.100 -0.353 0.000 0.828 229 P CB -0.298 31.260 31.700 -0.236 0.000 0.783 230 N N -0.917 117.610 118.700 -0.289 0.000 2.398 230 N HA -0.032 4.707 4.740 -0.001 0.000 0.188 230 N C 0.234 175.537 175.510 -0.344 0.000 1.122 230 N CA -0.097 52.813 53.050 -0.232 0.000 0.866 230 N CB -1.338 37.127 38.487 -0.037 0.000 0.970 230 N HN 0.049 nan 8.380 nan 0.000 0.462 231 C N 3.158 122.136 119.300 -0.537 0.000 2.597 231 C HA 0.034 4.493 4.460 -0.001 0.000 0.412 231 C C -0.162 174.384 174.990 -0.739 0.000 1.348 231 C CA -0.869 57.692 59.018 -0.761 0.000 1.769 231 C CB 0.945 27.862 27.740 -1.371 0.000 2.641 231 C HN 0.365 nan 8.230 nan 0.000 0.612 232 P HA -0.138 nan 4.420 nan 0.000 0.217 232 P C 1.242 178.414 177.300 -0.213 0.000 1.148 232 P CA 1.958 64.844 63.100 -0.356 0.000 0.828 232 P CB -0.161 31.351 31.700 -0.314 0.000 0.783 233 W N -1.211 120.055 121.300 -0.057 0.000 3.256 233 W HA 0.541 5.201 4.660 -0.001 0.000 0.269 233 W C 1.148 177.723 176.519 0.093 0.000 1.310 233 W CA 0.315 57.688 57.345 0.047 0.000 1.673 233 W CB -1.142 28.399 29.460 0.135 0.000 1.115 233 W HN -0.091 nan 8.180 nan 0.000 0.686 234 A N 1.207 123.884 122.820 -0.238 0.000 2.195 234 A HA 0.207 4.527 4.320 -0.001 0.000 0.210 234 A C 0.993 178.421 177.584 -0.259 0.000 1.165 234 A CA 0.988 52.966 52.037 -0.098 0.000 0.806 234 A CB -0.443 18.303 19.000 -0.422 0.000 0.847 234 A HN 0.199 nan 8.150 nan 0.000 0.482 235 S N -1.665 113.875 115.700 -0.266 0.000 2.596 235 S HA 0.681 5.151 4.470 -0.001 0.000 0.270 235 S C -0.819 173.646 174.600 -0.225 0.000 1.155 235 S CA -0.051 57.966 58.200 -0.306 0.000 0.827 235 S CB 1.350 64.306 63.200 -0.407 0.000 1.130 235 S HN 1.406 nan 8.310 nan 0.000 0.467 236 V N -1.262 118.529 119.914 -0.205 0.000 3.188 236 V HA 0.928 5.048 4.120 -0.001 0.000 0.305 236 V C 0.015 176.024 176.094 -0.142 0.000 1.232 236 V CA -0.438 61.767 62.300 -0.160 0.000 1.043 236 V CB 1.129 32.868 31.823 -0.139 0.000 1.068 236 V HN 1.563 nan 8.190 nan 0.000 0.439 237 S N 0.696 116.323 115.700 -0.122 0.000 2.614 237 S HA 0.399 4.868 4.470 -0.001 0.000 0.265 237 S C 1.306 175.847 174.600 -0.098 0.000 1.303 237 S CA 0.023 58.157 58.200 -0.109 0.000 1.000 237 S CB 1.274 64.419 63.200 -0.092 0.000 0.935 237 S HN 2.176 nan 8.310 nan 0.000 0.551 238 V N -0.886 118.957 119.914 -0.118 0.000 2.515 238 V HA 0.010 4.130 4.120 -0.001 0.000 0.250 238 V C 2.550 178.618 176.094 -0.043 0.000 1.058 238 V CA 1.608 63.843 62.300 -0.108 0.000 1.064 238 V CB -2.079 29.598 31.823 -0.243 0.000 0.675 238 V HN 1.017 nan 8.190 nan 0.000 0.461 239 A N 0.939 123.731 122.820 -0.047 0.000 1.841 239 A HA -0.290 4.029 4.320 -0.001 0.000 0.216 239 A C 2.232 179.791 177.584 -0.042 0.000 1.199 239 A CA 2.434 54.451 52.037 -0.033 0.000 0.621 239 A CB -0.945 18.032 19.000 -0.038 0.000 0.835 239 A HN 0.636 nan 8.150 nan 0.000 0.445 240 E N -0.054 120.109 120.200 -0.062 0.000 2.160 240 E HA -0.066 4.284 4.350 -0.001 0.000 0.195 240 E C 1.913 178.469 176.600 -0.074 0.000 0.991 240 E CA 1.577 57.929 56.400 -0.079 0.000 0.810 240 E CB -0.790 28.851 29.700 -0.099 0.000 0.742 240 E HN 0.450 nan 8.360 nan 0.000 0.466 241 G N 0.371 109.140 108.800 -0.052 0.000 2.408 241 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.217 241 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.217 241 G C 1.736 176.645 174.900 0.014 0.000 1.150 241 G CA 0.770 45.862 45.100 -0.013 0.000 0.776 241 G HN 0.309 nan 8.290 nan 0.000 0.542 242 R N 0.089 120.591 120.500 0.003 0.000 2.062 242 R HA 0.064 4.403 4.340 -0.001 0.000 0.229 242 R C 2.564 178.858 176.300 -0.010 0.000 1.128 242 R CA 0.928 57.031 56.100 0.005 0.000 0.960 242 R CB -0.370 29.937 30.300 0.012 0.000 0.855 242 R HN 0.206 nan 8.270 nan 0.000 0.432 243 R N 0.842 121.325 120.500 -0.028 0.000 2.097 243 R HA -0.180 4.159 4.340 -0.001 0.000 0.236 243 R C 2.209 178.481 176.300 -0.047 0.000 1.135 243 R CA 2.211 58.284 56.100 -0.045 0.000 0.934 243 R CB -0.255 30.006 30.300 -0.065 0.000 0.846 243 R HN 0.303 nan 8.270 nan 0.000 0.431 244 R N -0.396 120.069 120.500 -0.059 0.000 2.120 244 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 244 R C 2.301 178.646 176.300 0.074 0.000 1.123 244 R CA 1.274 57.334 56.100 -0.066 0.000 0.975 244 R CB -0.302 29.875 30.300 -0.206 0.000 0.866 244 R HN 0.293 nan 8.270 nan 0.000 0.446 245 A N 0.727 123.605 122.820 0.097 0.000 1.898 245 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 245 A C 2.346 179.926 177.584 -0.006 0.000 1.181 245 A CA 1.186 53.260 52.037 0.061 0.000 0.620 245 A CB -0.396 18.594 19.000 -0.017 0.000 0.819 245 A HN 0.094 nan 8.150 nan 0.000 0.442 246 V N 0.083 119.990 119.914 -0.012 0.000 2.261 246 V HA -0.247 3.872 4.120 -0.001 0.000 0.246 246 V C 2.568 178.656 176.094 -0.011 0.000 1.047 246 V CA 2.355 64.643 62.300 -0.021 0.000 1.015 246 V CB -0.854 30.956 31.823 -0.021 0.000 0.642 246 V HN 0.650 nan 8.190 nan 0.000 0.446 247 E N 0.268 120.463 120.200 -0.009 0.000 2.171 247 E HA -0.251 4.098 4.350 -0.001 0.000 0.197 247 E C 1.871 178.483 176.600 0.021 0.000 0.997 247 E CA 1.310 57.706 56.400 -0.008 0.000 0.810 247 E CB -0.475 29.203 29.700 -0.036 0.000 0.738 247 E HN 0.475 nan 8.360 nan 0.000 0.467 248 L N -0.645 120.610 121.223 0.052 0.000 2.093 248 L HA 0.071 4.411 4.340 -0.001 0.000 0.208 248 L C 2.131 179.015 176.870 0.023 0.000 1.085 248 L CA 2.163 57.048 54.840 0.076 0.000 0.755 248 L CB -0.853 41.278 42.059 0.119 0.000 0.904 248 L HN 0.217 nan 8.230 nan 0.000 0.435 249 G N -1.067 107.729 108.800 -0.006 0.000 2.408 249 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.217 249 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.217 249 G C 1.801 176.704 174.900 0.004 0.000 1.150 249 G CA 0.633 45.726 45.100 -0.013 0.000 0.776 249 G HN 0.375 nan 8.290 nan 0.000 0.542 250 R N 0.343 120.847 120.500 0.007 0.000 2.120 250 R HA -0.009 4.330 4.340 -0.001 0.000 0.234 250 R C 2.153 178.467 176.300 0.023 0.000 1.123 250 R CA 1.182 57.288 56.100 0.011 0.000 0.975 250 R CB -0.210 30.094 30.300 0.006 0.000 0.866 250 R HN 0.280 nan 8.270 nan 0.000 0.446 251 N N 0.074 118.794 118.700 0.033 0.000 2.396 251 N HA -0.079 4.661 4.740 -0.001 0.000 0.180 251 N C 1.035 176.573 175.510 0.047 0.000 1.028 251 N CA 0.846 53.925 53.050 0.048 0.000 0.893 251 N CB 0.256 38.784 38.487 0.068 0.000 0.967 251 N HN 0.274 nan 8.380 nan 0.000 0.440 252 L N 0.477 121.722 121.223 0.036 0.000 2.728 252 L HA 0.195 4.535 4.340 -0.001 0.000 0.238 252 L C -0.481 176.403 176.870 0.024 0.000 1.143 252 L CA -0.100 54.760 54.840 0.033 0.000 0.937 252 L CB 0.038 42.114 42.059 0.028 0.000 1.225 252 L HN 0.007 nan 8.230 nan 0.000 0.507 253 N N 0.002 118.715 118.700 0.021 0.000 2.688 253 N HA -0.151 4.588 4.740 -0.001 0.000 0.261 253 N C -0.832 174.687 175.510 0.014 0.000 1.116 253 N CA 0.421 53.482 53.050 0.018 0.000 0.689 253 N CB -1.816 36.684 38.487 0.021 0.000 0.882 253 N HN 0.185 nan 8.380 nan 0.000 0.554 254 c N 0.985 119.591 118.600 0.009 0.000 2.493 254 c HA 0.367 4.937 4.570 -0.001 0.000 0.326 254 c C 1.012 175.108 174.090 0.010 0.000 1.200 254 c CA -1.094 55.239 56.329 0.007 0.000 1.739 254 c CB 1.695 44.202 42.510 -0.005 0.000 2.300 254 c HN 0.524 nan 8.230 nan 0.000 0.500 255 N N 2.002 120.713 118.700 0.018 0.000 2.411 255 N HA 0.043 4.783 4.740 -0.001 0.000 0.265 255 N C 0.237 175.753 175.510 0.010 0.000 1.266 255 N CA 0.387 53.448 53.050 0.019 0.000 0.889 255 N CB 0.426 38.932 38.487 0.030 0.000 1.069 255 N HN 0.657 nan 8.380 nan 0.000 0.476 256 L N 2.521 123.747 121.223 0.005 0.000 2.653 256 L HA 0.058 4.398 4.340 -0.001 0.000 0.231 256 L C 2.265 179.134 176.870 -0.001 0.000 1.153 256 L CA 0.097 54.936 54.840 -0.001 0.000 0.933 256 L CB -1.191 40.865 42.059 -0.004 0.000 1.175 256 L HN 0.640 nan 8.230 nan 0.000 0.473 257 N N 1.158 119.861 118.700 0.004 0.000 2.021 257 N HA -0.188 4.552 4.740 -0.001 0.000 0.198 257 N C 1.058 176.568 175.510 0.000 0.000 1.041 257 N CA 1.995 55.047 53.050 0.003 0.000 0.862 257 N CB -0.188 38.303 38.487 0.007 0.000 1.048 257 N HN 0.513 nan 8.380 nan 0.000 0.427 258 S N -2.977 112.724 115.700 0.002 0.000 2.651 258 S HA 0.518 4.988 4.470 -0.001 0.000 0.279 258 S C -0.369 174.228 174.600 -0.005 0.000 1.148 258 S CA -0.176 58.023 58.200 -0.002 0.000 0.837 258 S CB 1.552 64.752 63.200 -0.000 0.000 1.138 258 S HN 0.199 nan 8.310 nan 0.000 0.478 259 D N 0.890 121.284 120.400 -0.010 0.000 2.144 259 D HA -0.030 4.610 4.640 -0.001 0.000 0.199 259 D C 1.531 177.827 176.300 -0.006 0.000 0.984 259 D CA 1.455 55.444 54.000 -0.019 0.000 0.834 259 D CB -0.238 40.549 40.800 -0.022 0.000 0.955 259 D HN 0.672 nan 8.370 nan 0.000 0.465 260 E N 0.522 120.725 120.200 0.006 0.000 2.110 260 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 260 E C 1.976 178.607 176.600 0.052 0.000 0.988 260 E CA 0.829 57.243 56.400 0.023 0.000 0.804 260 E CB 0.067 29.773 29.700 0.010 0.000 0.745 260 E HN 0.309 nan 8.360 nan 0.000 0.458 261 E N 0.073 120.297 120.200 0.041 0.000 2.015 261 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 261 E C 2.124 178.761 176.600 0.062 0.000 0.991 261 E CA 0.570 57.009 56.400 0.064 0.000 0.802 261 E CB -0.554 29.169 29.700 0.037 0.000 0.759 261 E HN 0.163 nan 8.360 nan 0.000 0.447 262 L N 1.835 123.067 121.223 0.015 0.000 1.976 262 L HA -0.229 4.111 4.340 -0.001 0.000 0.223 262 L C 2.336 179.186 176.870 -0.034 0.000 1.081 262 L CA 1.715 56.542 54.840 -0.021 0.000 0.784 262 L CB -1.019 41.010 42.059 -0.050 0.000 0.896 262 L HN 0.114 nan 8.230 nan 0.000 0.438 263 I N -1.067 119.482 120.570 -0.035 0.000 2.335 263 I HA -0.344 3.826 4.170 -0.001 0.000 0.251 263 I C 2.582 178.750 176.117 0.085 0.000 1.129 263 I CA 1.610 62.892 61.300 -0.030 0.000 1.402 263 I CB -0.626 37.367 38.000 -0.013 0.000 1.069 263 I HN 0.516 nan 8.210 nan 0.000 0.424 264 H N 0.057 119.145 119.070 0.030 0.000 2.428 264 H HA -0.204 4.352 4.556 -0.001 0.000 0.296 264 H C 2.400 177.762 175.328 0.058 0.000 1.062 264 H CA 1.785 57.864 56.048 0.052 0.000 1.350 264 H CB 0.199 29.982 29.762 0.035 0.000 1.403 264 H HN 0.527 nan 8.280 nan 0.000 0.533 265 c N 0.675 119.197 118.600 -0.130 0.000 2.518 265 c HA -0.015 4.554 4.570 -0.001 0.000 0.279 265 c C 2.897 176.945 174.090 -0.070 0.000 1.279 265 c CA 0.346 56.591 56.329 -0.140 0.000 1.703 265 c CB -1.274 41.211 42.510 -0.042 0.000 2.072 265 c HN 0.571 nan 8.230 nan 0.000 0.487 266 L N 0.595 121.808 121.223 -0.016 0.000 2.081 266 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 266 L C 2.978 179.959 176.870 0.184 0.000 1.080 266 L CA 1.810 56.682 54.840 0.053 0.000 0.754 266 L CB -0.752 41.273 42.059 -0.057 0.000 0.893 266 L HN 0.408 nan 8.230 nan 0.000 0.433 267 R N -0.680 119.924 120.500 0.174 0.000 2.280 267 R HA -0.091 4.249 4.340 -0.001 0.000 0.207 267 R C 1.975 178.283 176.300 0.013 0.000 1.043 267 R CA 0.450 56.639 56.100 0.148 0.000 1.006 267 R CB 0.056 30.447 30.300 0.152 0.000 0.885 267 R HN 0.357 nan 8.270 nan 0.000 0.467 268 E N 0.678 120.836 120.200 -0.069 0.000 2.140 268 E HA -0.000 4.350 4.350 -0.001 0.000 0.191 268 E C 0.162 176.757 176.600 -0.008 0.000 0.973 268 E CA 0.512 56.866 56.400 -0.077 0.000 0.829 268 E CB 0.249 29.853 29.700 -0.159 0.000 0.781 268 E HN 0.045 nan 8.360 nan 0.000 0.466 269 K N 2.308 122.716 120.400 0.013 0.000 2.518 269 K HA -0.021 4.298 4.320 -0.001 0.000 0.276 269 K C 0.544 177.188 176.600 0.074 0.000 0.974 269 K CA 0.282 56.595 56.287 0.044 0.000 0.986 269 K CB 0.324 32.856 32.500 0.053 0.000 0.901 269 K HN -0.093 nan 8.250 nan 0.000 0.497 270 K N 2.935 123.382 120.400 0.078 0.000 2.295 270 K HA 0.066 4.385 4.320 -0.001 0.000 0.270 270 K C -1.690 175.007 176.600 0.162 0.000 1.011 270 K CA -1.712 54.632 56.287 0.095 0.000 0.953 270 K CB -0.004 32.538 32.500 0.071 0.000 0.956 270 K HN 0.194 nan 8.250 nan 0.000 0.477 271 P HA -0.258 nan 4.420 nan 0.000 0.216 271 P C 1.284 178.798 177.300 0.357 0.000 1.167 271 P CA 1.497 64.843 63.100 0.411 0.000 0.914 271 P CB 0.230 32.015 31.700 0.141 0.000 0.793 272 Q N -0.158 119.765 119.800 0.206 0.000 2.376 272 Q HA -0.213 4.127 4.340 -0.001 0.000 0.211 272 Q C 1.834 177.939 176.000 0.174 0.000 0.986 272 Q CA 1.607 57.517 55.803 0.178 0.000 0.886 272 Q CB -0.859 27.946 28.738 0.112 0.000 0.927 272 Q HN 0.402 nan 8.270 nan 0.000 0.457 273 E N -1.115 119.180 120.200 0.158 0.000 2.107 273 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 273 E C 1.680 178.361 176.600 0.135 0.000 0.982 273 E CA 0.898 57.375 56.400 0.128 0.000 0.809 273 E CB 0.030 29.788 29.700 0.097 0.000 0.756 273 E HN 0.313 nan 8.360 nan 0.000 0.459 274 L N 0.474 121.777 121.223 0.134 0.000 2.109 274 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 274 L C 2.226 179.203 176.870 0.178 0.000 1.086 274 L CA 0.951 55.837 54.840 0.078 0.000 0.760 274 L CB -0.213 41.770 42.059 -0.127 0.000 0.910 274 L HN 0.087 nan 8.230 nan 0.000 0.437 275 I N -0.239 120.492 120.570 0.269 0.000 2.226 275 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 275 I C 1.903 178.239 176.117 0.366 0.000 1.100 275 I CA 1.201 62.721 61.300 0.367 0.000 1.374 275 I CB -0.401 37.825 38.000 0.376 0.000 1.057 275 I HN 0.232 nan 8.210 nan 0.000 0.413 276 D N 0.059 120.622 120.400 0.272 0.000 2.218 276 D HA -0.119 4.521 4.640 -0.001 0.000 0.204 276 D C 1.869 178.318 176.300 0.249 0.000 0.976 276 D CA 1.473 55.620 54.000 0.245 0.000 0.853 276 D CB 0.034 40.935 40.800 0.168 0.000 0.939 276 D HN 0.400 nan 8.370 nan 0.000 0.481 277 V N -2.151 117.903 119.914 0.232 0.000 3.432 277 V HA 0.165 4.285 4.120 -0.001 0.000 0.298 277 V C 1.746 177.979 176.094 0.232 0.000 1.464 277 V CA 0.192 62.617 62.300 0.209 0.000 1.046 277 V CB 0.042 31.953 31.823 0.146 0.000 0.887 277 V HN 0.065 nan 8.190 nan 0.000 0.441 278 E N 0.492 120.859 120.200 0.278 0.000 2.209 278 E HA -0.253 4.096 4.350 -0.001 0.000 0.196 278 E C 1.495 178.152 176.600 0.096 0.000 0.993 278 E CA 1.864 58.425 56.400 0.269 0.000 0.819 278 E CB -0.338 29.593 29.700 0.386 0.000 0.745 278 E HN 0.752 nan 8.360 nan 0.000 0.477 279 W N 0.957 122.341 121.300 0.139 0.000 3.256 279 W HA 0.165 4.825 4.660 -0.001 0.000 0.269 279 W C 1.294 177.818 176.519 0.009 0.000 1.310 279 W CA -0.206 57.160 57.345 0.034 0.000 1.673 279 W CB 0.284 29.752 29.460 0.014 0.000 1.115 279 W HN 0.068 nan 8.180 nan 0.000 0.686 280 N N -0.057 118.778 118.700 0.224 0.000 2.467 280 N HA -0.078 4.661 4.740 -0.001 0.000 0.184 280 N C 1.738 177.297 175.510 0.080 0.000 1.106 280 N CA 1.192 54.344 53.050 0.170 0.000 0.892 280 N CB -0.184 38.395 38.487 0.152 0.000 0.969 280 N HN 0.233 nan 8.380 nan 0.000 0.454 281 V N -2.551 117.349 119.914 -0.023 0.000 3.644 281 V HA 0.263 4.383 4.120 -0.001 0.000 0.267 281 V C 0.844 176.820 176.094 -0.196 0.000 1.277 281 V CA -0.130 62.096 62.300 -0.124 0.000 1.096 281 V CB -0.119 31.592 31.823 -0.186 0.000 0.828 281 V HN 0.034 nan 8.190 nan 0.000 0.446 282 L N 3.848 124.978 121.223 -0.155 0.000 2.534 282 L HA 0.286 4.626 4.340 -0.001 0.000 0.271 282 L C -1.748 175.083 176.870 -0.066 0.000 1.178 282 L CA -1.050 53.711 54.840 -0.133 0.000 0.907 282 L CB 1.149 43.215 42.059 0.013 0.000 1.164 282 L HN 0.244 nan 8.230 nan 0.000 0.482 283 P HA -0.026 nan 4.420 nan 0.000 0.272 283 P C 0.465 177.763 177.300 -0.003 0.000 1.223 283 P CA -0.021 62.955 63.100 -0.206 0.000 0.784 283 P CB 0.406 32.002 31.700 -0.173 0.000 0.923 284 F N 0.309 120.237 119.950 -0.037 0.000 2.641 284 F HA -0.088 4.439 4.527 -0.001 0.000 0.298 284 F C 1.472 177.248 175.800 -0.041 0.000 1.146 284 F CA 0.033 58.010 58.000 -0.038 0.000 1.464 284 F CB -0.180 38.800 39.000 -0.032 0.000 1.101 284 F HN 0.300 nan 8.300 nan 0.000 0.585 285 D N -0.577 119.890 120.400 0.112 0.000 2.895 285 D HA 0.091 4.731 4.640 -0.001 0.000 0.258 285 D C 0.033 176.370 176.300 0.062 0.000 1.311 285 D CA 0.058 54.104 54.000 0.077 0.000 0.843 285 D CB 0.563 41.403 40.800 0.067 0.000 1.055 285 D HN -0.020 nan 8.370 nan 0.000 0.486 286 S N 0.786 116.514 115.700 0.046 0.000 2.646 286 S HA 0.091 4.561 4.470 -0.001 0.000 0.217 286 S C 0.962 175.574 174.600 0.020 0.000 0.836 286 S CA -0.537 57.691 58.200 0.046 0.000 1.094 286 S CB 0.051 63.270 63.200 0.031 0.000 1.557 286 S HN 0.372 nan 8.310 nan 0.000 0.449 287 I N 0.461 120.957 120.570 -0.124 0.000 2.423 287 I HA -0.091 4.078 4.170 -0.001 0.000 0.254 287 I C 0.149 176.030 176.117 -0.393 0.000 1.151 287 I CA 1.818 62.914 61.300 -0.341 0.000 1.421 287 I CB 0.019 37.632 38.000 -0.644 0.000 1.079 287 I HN 0.448 nan 8.210 nan 0.000 0.431 288 F N 1.136 121.168 119.950 0.136 0.000 2.708 288 F HA 0.354 4.880 4.527 -0.001 0.000 0.300 288 F C 0.878 176.830 175.800 0.253 0.000 1.118 288 F CA -0.644 57.458 58.000 0.169 0.000 1.307 288 F CB 0.206 39.257 39.000 0.084 0.000 0.986 288 F HN -0.161 nan 8.300 nan 0.000 0.522 289 R N -0.308 120.419 120.500 0.379 0.000 2.960 289 R HA 0.595 4.934 4.340 -0.001 0.000 0.249 289 R C -1.520 175.035 176.300 0.426 0.000 1.192 289 R CA -0.957 55.385 56.100 0.403 0.000 1.035 289 R CB 2.004 32.463 30.300 0.264 0.000 1.234 289 R HN 0.057 nan 8.270 nan 0.000 0.493 290 F N -0.737 119.318 119.950 0.175 0.000 2.561 290 F HA 0.263 4.790 4.527 -0.001 0.000 0.321 290 F C 0.867 176.532 175.800 -0.224 0.000 1.065 290 F CA -0.495 57.440 58.000 -0.110 0.000 0.934 290 F CB 2.131 41.134 39.000 0.006 0.000 1.215 290 F HN 0.482 nan 8.300 nan 0.000 0.471 291 S N 2.354 116.940 115.700 -1.856 0.000 2.359 291 S HA -0.170 4.300 4.470 -0.001 0.000 0.222 291 S C -0.004 173.650 174.600 -1.577 0.000 1.038 291 S CA 1.407 58.541 58.200 -1.777 0.000 1.051 291 S CB -0.401 61.529 63.200 -2.117 0.000 0.944 291 S HN 0.395 nan 8.310 nan 0.000 0.433 292 F N 1.702 121.095 119.950 -0.928 0.000 2.332 292 F HA 0.576 5.102 4.527 -0.001 0.000 0.368 292 F C 0.177 176.013 175.800 0.061 0.000 1.110 292 F CA -1.107 56.805 58.000 -0.148 0.000 1.087 292 F CB 0.935 39.999 39.000 0.106 0.000 1.235 292 F HN -0.039 nan 8.300 nan 0.000 0.470 293 V N 0.917 120.818 119.914 -0.022 0.000 3.167 293 V HA 0.761 4.880 4.120 -0.001 0.000 0.310 293 V C -2.914 172.916 176.094 -0.440 0.000 1.207 293 V CA -3.316 58.691 62.300 -0.488 0.000 1.059 293 V CB 2.020 33.638 31.823 -0.342 0.000 1.079 293 V HN 0.254 nan 8.190 nan 0.000 0.446 294 P HA 0.226 nan 4.420 nan 0.000 0.266 294 P C -0.626 176.578 177.300 -0.160 0.000 1.193 294 P CA 0.337 63.254 63.100 -0.305 0.000 0.770 294 P CB 0.403 31.850 31.700 -0.421 0.000 0.836 295 V N 1.832 121.745 119.914 -0.002 0.000 2.581 295 V HA 0.405 4.525 4.120 -0.001 0.000 0.303 295 V C 0.116 176.239 176.094 0.049 0.000 1.041 295 V CA -0.885 61.402 62.300 -0.021 0.000 0.907 295 V CB 1.644 33.471 31.823 0.008 0.000 0.994 295 V HN 0.233 nan 8.190 nan 0.000 0.442 296 I N 4.841 125.371 120.570 -0.066 0.000 2.311 296 I HA 0.219 4.389 4.170 -0.001 0.000 0.297 296 I C 0.763 176.882 176.117 0.005 0.000 1.131 296 I CA 0.068 61.368 61.300 0.001 0.000 1.289 296 I CB 0.151 38.084 38.000 -0.112 0.000 1.446 296 I HN 0.948 nan 8.210 nan 0.000 0.524 297 D N 3.423 123.884 120.400 0.102 0.000 2.369 297 D HA 0.107 4.746 4.640 -0.001 0.000 0.211 297 D C 1.359 177.681 176.300 0.037 0.000 1.077 297 D CA 0.591 54.554 54.000 -0.062 0.000 0.842 297 D CB 0.661 41.503 40.800 0.069 0.000 0.947 297 D HN 0.674 nan 8.370 nan 0.000 0.509 298 G N 0.582 109.454 108.800 0.120 0.000 2.234 298 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.260 298 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.260 298 G C 0.947 175.922 174.900 0.124 0.000 0.987 298 G CA 0.628 45.801 45.100 0.121 0.000 0.625 298 G HN 0.467 nan 8.290 nan 0.000 0.532 299 E N -1.197 119.089 120.200 0.143 0.000 2.110 299 E HA 0.358 4.708 4.350 -0.001 0.000 0.194 299 E C 1.931 178.559 176.600 0.047 0.000 0.944 299 E CA 0.095 56.554 56.400 0.098 0.000 0.899 299 E CB -0.052 29.721 29.700 0.123 0.000 0.907 299 E HN 0.275 nan 8.360 nan 0.000 0.473 300 F N 0.812 120.699 119.950 -0.104 0.000 2.146 300 F HA -0.013 4.514 4.527 -0.001 0.000 0.298 300 F C 0.286 175.785 175.800 -0.501 0.000 1.096 300 F CA 1.030 58.834 58.000 -0.328 0.000 1.275 300 F CB 0.288 39.020 39.000 -0.446 0.000 1.008 300 F HN -0.143 nan 8.300 nan 0.000 0.480 301 F N 2.000 122.119 119.950 0.281 0.000 2.325 301 F HA 0.347 4.873 4.527 -0.001 0.000 0.369 301 F C -1.447 174.404 175.800 0.085 0.000 1.095 301 F CA -3.122 54.978 58.000 0.167 0.000 1.082 301 F CB 0.437 39.519 39.000 0.137 0.000 1.289 301 F HN -0.200 nan 8.300 nan 0.000 0.462 302 P HA -0.121 nan 4.420 nan 0.000 0.215 302 P C 0.564 177.930 177.300 0.109 0.000 1.157 302 P CA 1.709 64.873 63.100 0.106 0.000 0.874 302 P CB 0.217 31.952 31.700 0.058 0.000 0.790 303 T N -4.434 110.195 114.554 0.124 0.000 2.591 303 T HA 0.432 4.782 4.350 -0.001 0.000 0.274 303 T C -0.078 174.673 174.700 0.085 0.000 0.945 303 T CA -0.474 61.677 62.100 0.086 0.000 1.087 303 T CB 0.748 69.651 68.868 0.058 0.000 1.416 303 T HN 0.093 nan 8.240 nan 0.000 0.514 304 S N 0.040 115.765 115.700 0.041 0.000 2.572 304 S HA 0.240 4.710 4.470 -0.001 0.000 0.279 304 S C 1.439 176.051 174.600 0.020 0.000 1.341 304 S CA -0.764 57.438 58.200 0.004 0.000 1.043 304 S CB -0.288 62.909 63.200 -0.006 0.000 0.887 304 S HN 0.643 nan 8.310 nan 0.000 0.516 305 L N 0.522 121.722 121.223 -0.038 0.000 2.131 305 L HA -0.081 4.259 4.340 -0.001 0.000 0.210 305 L C 2.876 179.784 176.870 0.064 0.000 1.092 305 L CA 1.614 56.453 54.840 -0.002 0.000 0.759 305 L CB -0.693 41.305 42.059 -0.102 0.000 0.903 305 L HN 0.756 nan 8.230 nan 0.000 0.435 306 E N 0.670 120.901 120.200 0.051 0.000 2.051 306 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 306 E C 2.262 178.923 176.600 0.100 0.000 0.991 306 E CA 1.808 58.267 56.400 0.097 0.000 0.799 306 E CB -0.097 29.649 29.700 0.078 0.000 0.748 306 E HN 0.471 nan 8.360 nan 0.000 0.449 307 S N 0.021 115.765 115.700 0.073 0.000 2.368 307 S HA -0.173 4.296 4.470 -0.001 0.000 0.224 307 S C 2.185 176.832 174.600 0.079 0.000 1.029 307 S CA 1.421 59.662 58.200 0.068 0.000 0.988 307 S CB -0.436 62.792 63.200 0.046 0.000 0.838 307 S HN 0.223 nan 8.310 nan 0.000 0.462 308 M N 1.205 120.866 119.600 0.100 0.000 2.080 308 M HA -0.056 4.424 4.480 -0.001 0.000 0.260 308 M C 2.263 178.692 176.300 0.216 0.000 1.068 308 M CA 1.530 56.912 55.300 0.136 0.000 1.109 308 M CB -0.782 31.932 32.600 0.190 0.000 1.342 308 M HN 0.263 nan 8.290 nan 0.000 0.405 309 L N -0.200 121.156 121.223 0.221 0.000 2.046 309 L HA -0.248 4.091 4.340 -0.001 0.000 0.208 309 L C 2.344 179.366 176.870 0.254 0.000 1.077 309 L CA 0.998 55.990 54.840 0.253 0.000 0.747 309 L CB -0.787 41.334 42.059 0.104 0.000 0.896 309 L HN 0.410 nan 8.230 nan 0.000 0.432 310 N N -0.300 118.501 118.700 0.169 0.000 2.188 310 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 310 N C 1.909 177.509 175.510 0.149 0.000 1.018 310 N CA 1.697 54.847 53.050 0.168 0.000 0.858 310 N CB 0.056 38.619 38.487 0.128 0.000 0.989 310 N HN 0.341 nan 8.380 nan 0.000 0.426 311 S N -1.252 114.459 115.700 0.018 0.000 2.558 311 S HA 0.240 4.709 4.470 -0.001 0.000 0.217 311 S C 1.316 175.586 174.600 -0.550 0.000 0.975 311 S CA 0.515 58.652 58.200 -0.106 0.000 0.912 311 S CB 0.406 63.550 63.200 -0.094 0.000 0.776 311 S HN 0.378 nan 8.310 nan 0.000 0.526 312 G N 1.818 110.078 108.800 -0.900 0.000 2.132 312 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.234 312 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.234 312 G C -0.072 173.969 174.900 -1.431 0.000 0.989 312 G CA -0.060 43.763 45.100 -2.128 0.000 0.676 312 G HN 0.553 nan 8.290 nan 0.000 0.522 313 N N 0.741 119.047 118.700 -0.656 0.000 2.895 313 N HA 0.524 5.264 4.740 -0.001 0.000 0.277 313 N C -0.250 175.225 175.510 -0.059 0.000 1.185 313 N CA -0.074 52.784 53.050 -0.320 0.000 1.106 313 N CB -0.893 37.532 38.487 -0.103 0.000 1.422 313 N HN 0.821 nan 8.380 nan 0.000 0.521 314 F N -0.918 118.969 119.950 -0.105 0.000 2.793 314 F HA 0.319 4.845 4.527 -0.001 0.000 0.316 314 F C -0.481 175.331 175.800 0.020 0.000 1.147 314 F CA -1.430 56.577 58.000 0.012 0.000 0.930 314 F CB 0.438 39.505 39.000 0.112 0.000 1.277 314 F HN -0.091 nan 8.300 nan 0.000 0.443 315 K N 1.839 122.479 120.400 0.400 0.000 2.491 315 K HA 0.092 4.411 4.320 -0.001 0.000 0.279 315 K C -0.889 175.968 176.600 0.428 0.000 1.026 315 K CA 0.073 56.521 56.287 0.268 0.000 1.070 315 K CB 0.418 33.017 32.500 0.166 0.000 0.887 315 K HN 0.617 nan 8.250 nan 0.000 0.481 316 K N 3.046 123.574 120.400 0.213 0.000 2.266 316 K HA 0.181 4.501 4.320 -0.001 0.000 0.274 316 K C -0.237 176.490 176.600 0.212 0.000 1.090 316 K CA -0.189 56.228 56.287 0.217 0.000 0.925 316 K CB 1.567 34.098 32.500 0.052 0.000 1.225 316 K HN 0.691 nan 8.250 nan 0.000 0.458 317 T N 1.009 115.771 114.554 0.346 0.000 2.618 317 T HA 0.382 4.732 4.350 -0.001 0.000 0.293 317 T C -1.273 173.611 174.700 0.307 0.000 1.093 317 T CA -0.686 61.556 62.100 0.237 0.000 1.061 317 T CB 0.618 69.585 68.868 0.166 0.000 1.498 317 T HN 0.335 nan 8.240 nan 0.000 0.494 318 Q N 1.064 120.996 119.800 0.220 0.000 2.230 318 Q HA 0.741 5.080 4.340 -0.001 0.000 0.248 318 Q C -0.295 175.961 176.000 0.426 0.000 0.915 318 Q CA -0.436 55.549 55.803 0.304 0.000 0.900 318 Q CB 1.170 30.053 28.738 0.242 0.000 1.229 318 Q HN 0.684 nan 8.270 nan 0.000 0.439 319 I N -1.545 119.291 120.570 0.443 0.000 2.722 319 I HA 0.649 4.818 4.170 -0.001 0.000 0.295 319 I C -1.636 174.462 176.117 -0.030 0.000 1.161 319 I CA -1.340 60.124 61.300 0.273 0.000 1.032 319 I CB 1.794 39.728 38.000 -0.109 0.000 1.244 319 I HN 0.556 nan 8.210 nan 0.000 0.421 320 L N 7.172 128.121 121.223 -0.456 0.000 2.372 320 L HA 0.748 5.088 4.340 -0.001 0.000 0.274 320 L C -1.160 175.503 176.870 -0.345 0.000 0.988 320 L CA -0.485 53.932 54.840 -0.705 0.000 0.833 320 L CB 1.490 42.527 42.059 -1.703 0.000 1.236 320 L HN 0.820 nan 8.230 nan 0.000 0.410 321 L N 2.495 123.625 121.223 -0.155 0.000 2.397 321 L HA 1.141 5.480 4.340 -0.001 0.000 0.251 321 L C -0.557 176.103 176.870 -0.351 0.000 1.064 321 L CA -0.512 54.260 54.840 -0.113 0.000 0.859 321 L CB 1.998 43.988 42.059 -0.115 0.000 1.468 321 L HN 0.624 nan 8.230 nan 0.000 0.411 322 G N -0.479 107.919 108.800 -0.669 0.000 2.342 322 G HA2 0.570 4.530 3.960 -0.001 0.000 0.297 322 G HA3 0.570 4.530 3.960 -0.001 0.000 0.297 322 G C -1.521 172.982 174.900 -0.663 0.000 1.313 322 G CA 0.026 44.285 45.100 -1.401 0.000 0.830 322 G HN 1.468 nan 8.290 nan 0.000 0.506 323 V N -2.846 116.824 119.914 -0.406 0.000 3.202 323 V HA 0.872 4.991 4.120 -0.001 0.000 0.306 323 V C -1.275 174.829 176.094 0.017 0.000 1.283 323 V CA -1.452 60.825 62.300 -0.038 0.000 1.065 323 V CB 1.839 33.658 31.823 -0.007 0.000 1.079 323 V HN 0.725 nan 8.190 nan 0.000 0.448 324 N N 0.643 119.367 118.700 0.039 0.000 2.430 324 N HA 0.488 5.228 4.740 -0.001 0.000 0.298 324 N C 0.485 175.890 175.510 -0.175 0.000 1.130 324 N CA -0.524 52.519 53.050 -0.012 0.000 0.894 324 N CB 1.769 40.361 38.487 0.176 0.000 1.209 324 N HN 0.939 nan 8.380 nan 0.000 0.503 325 K N 0.561 120.770 120.400 -0.318 0.000 2.015 325 K HA -0.161 4.159 4.320 -0.001 0.000 0.220 325 K C -0.371 176.291 176.600 0.104 0.000 1.055 325 K CA 1.853 58.071 56.287 -0.115 0.000 0.951 325 K CB -0.078 32.419 32.500 -0.006 0.000 0.725 325 K HN 0.554 nan 8.250 nan 0.000 0.449 326 D N 0.851 121.311 120.400 0.099 0.000 3.088 326 D HA 0.031 4.671 4.640 -0.001 0.000 0.310 326 D C 0.307 176.681 176.300 0.124 0.000 1.351 326 D CA -0.084 53.987 54.000 0.118 0.000 0.921 326 D CB 0.837 41.696 40.800 0.097 0.000 1.045 326 D HN 0.269 nan 8.370 nan 0.000 0.504 327 E N 0.476 120.758 120.200 0.136 0.000 2.171 327 E HA -0.151 4.199 4.350 -0.001 0.000 0.197 327 E C 1.963 178.682 176.600 0.197 0.000 0.997 327 E CA 0.788 57.293 56.400 0.175 0.000 0.810 327 E CB 0.036 29.812 29.700 0.127 0.000 0.738 327 E HN 0.431 nan 8.360 nan 0.000 0.467 328 G N 1.000 109.855 108.800 0.091 0.000 2.551 328 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.216 328 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.216 328 G C 1.733 176.680 174.900 0.078 0.000 1.137 328 G CA 0.851 45.978 45.100 0.044 0.000 0.798 328 G HN 0.366 nan 8.290 nan 0.000 0.536 329 S N 0.970 116.715 115.700 0.076 0.000 2.365 329 S HA -0.248 4.221 4.470 -0.001 0.000 0.225 329 S C 2.089 176.674 174.600 -0.026 0.000 1.039 329 S CA 1.411 59.625 58.200 0.023 0.000 1.033 329 S CB -0.736 62.377 63.200 -0.144 0.000 0.887 329 S HN 0.451 nan 8.310 nan 0.000 0.447 330 F N 2.277 122.110 119.950 -0.196 0.000 2.069 330 F HA -0.120 4.407 4.527 -0.001 0.000 0.298 330 F C 1.869 177.546 175.800 -0.205 0.000 1.113 330 F CA 1.619 59.439 58.000 -0.300 0.000 1.214 330 F CB -0.500 38.197 39.000 -0.505 0.000 0.978 330 F HN 0.151 nan 8.300 nan 0.000 0.474 331 F N 0.691 120.326 119.950 -0.525 0.000 2.161 331 F HA -0.201 4.326 4.527 -0.001 0.000 0.300 331 F C 2.222 177.817 175.800 -0.343 0.000 1.089 331 F CA 1.377 59.008 58.000 -0.616 0.000 1.282 331 F CB -1.038 37.501 39.000 -0.768 0.000 1.010 331 F HN 0.017 nan 8.300 nan 0.000 0.485 332 L N -0.866 120.250 121.223 -0.178 0.000 2.072 332 L HA -0.177 4.162 4.340 -0.001 0.000 0.205 332 L C 2.448 179.275 176.870 -0.072 0.000 1.079 332 L CA 0.539 55.208 54.840 -0.285 0.000 0.752 332 L CB -0.595 40.961 42.059 -0.838 0.000 0.906 332 L HN 0.165 nan 8.230 nan 0.000 0.436 333 L N -0.712 120.564 121.223 0.088 0.000 1.989 333 L HA -0.265 4.074 4.340 -0.001 0.000 0.211 333 L C 2.153 179.062 176.870 0.065 0.000 1.071 333 L CA 2.067 57.043 54.840 0.226 0.000 0.749 333 L CB -0.762 41.403 42.059 0.176 0.000 0.890 333 L HN 0.146 nan 8.230 nan 0.000 0.431 334 Y N -0.956 119.274 120.300 -0.117 0.000 2.546 334 Y HA 0.238 4.787 4.550 -0.001 0.000 0.287 334 Y C 2.020 177.848 175.900 -0.120 0.000 1.158 334 Y CA 0.703 58.714 58.100 -0.147 0.000 1.307 334 Y CB 0.041 38.291 38.460 -0.352 0.000 1.036 334 Y HN 0.318 nan 8.280 nan 0.000 0.532 335 G N -1.497 107.375 108.800 0.120 0.000 4.000 335 G HA2 0.490 4.450 3.960 -0.001 0.000 0.260 335 G HA3 0.490 4.450 3.960 -0.001 0.000 0.260 335 G C -0.424 174.530 174.900 0.090 0.000 1.047 335 G CA 0.325 45.481 45.100 0.092 0.000 0.860 335 G HN 0.199 nan 8.290 nan 0.000 0.464 336 A N 1.623 124.539 122.820 0.161 0.000 2.353 336 A HA 0.824 5.144 4.320 -0.001 0.000 0.299 336 A C -2.809 174.936 177.584 0.267 0.000 1.089 336 A CA -1.441 50.711 52.037 0.190 0.000 0.736 336 A CB 1.981 21.111 19.000 0.216 0.000 1.195 336 A HN 0.023 nan 8.150 nan 0.000 0.447 337 P HA 0.328 nan 4.420 nan 0.000 0.269 337 P C 0.908 178.276 177.300 0.114 0.000 1.209 337 P CA 1.471 64.639 63.100 0.112 0.000 0.776 337 P CB 1.083 32.800 31.700 0.029 0.000 0.876 338 G N 0.736 109.535 108.800 -0.001 0.000 2.195 338 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.224 338 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.224 338 G C -0.344 174.288 174.900 -0.447 0.000 0.990 338 G CA -0.529 44.437 45.100 -0.223 0.000 0.639 338 G HN 0.418 nan 8.290 nan 0.000 0.514 339 F N 2.383 122.263 119.950 -0.116 0.000 2.427 339 F HA 0.689 5.216 4.527 -0.001 0.000 0.348 339 F C 0.481 176.296 175.800 0.026 0.000 1.125 339 F CA -0.549 57.336 58.000 -0.192 0.000 0.989 339 F CB 2.216 41.150 39.000 -0.110 0.000 1.165 339 F HN 0.073 nan 8.300 nan 0.000 0.442 340 S N 1.886 117.692 115.700 0.177 0.000 2.634 340 S HA 0.325 4.794 4.470 -0.001 0.000 0.296 340 S C 0.791 175.623 174.600 0.386 0.000 1.104 340 S CA -1.190 57.163 58.200 0.256 0.000 0.920 340 S CB 2.264 65.537 63.200 0.121 0.000 1.111 340 S HN 0.714 nan 8.310 nan 0.000 0.493 341 K N 0.288 120.853 120.400 0.274 0.000 2.209 341 K HA -0.101 4.219 4.320 -0.001 0.000 0.204 341 K C -0.128 176.531 176.600 0.099 0.000 1.048 341 K CA 1.467 57.821 56.287 0.111 0.000 0.940 341 K CB 0.011 32.293 32.500 -0.363 0.000 0.729 341 K HN 0.483 nan 8.250 nan 0.000 0.451 342 D N -0.112 120.344 120.400 0.093 0.000 2.433 342 D HA 0.012 4.651 4.640 -0.001 0.000 0.211 342 D C 0.315 176.660 176.300 0.075 0.000 1.114 342 D CA 0.135 54.167 54.000 0.054 0.000 0.837 342 D CB 0.788 41.587 40.800 -0.003 0.000 0.984 342 D HN 0.206 nan 8.370 nan 0.000 0.505 343 S N -0.434 115.315 115.700 0.083 0.000 2.745 343 S HA 0.324 4.793 4.470 -0.001 0.000 0.292 343 S C 0.910 175.524 174.600 0.024 0.000 1.133 343 S CA -0.640 57.569 58.200 0.015 0.000 0.998 343 S CB 2.063 65.227 63.200 -0.059 0.000 1.087 343 S HN -0.133 nan 8.310 nan 0.000 0.551 344 E N 0.311 120.487 120.200 -0.040 0.000 2.511 344 E HA 0.079 4.429 4.350 -0.001 0.000 0.196 344 E C -0.332 176.051 176.600 -0.362 0.000 1.066 344 E CA 0.225 56.599 56.400 -0.042 0.000 0.871 344 E CB -0.205 29.485 29.700 -0.017 0.000 0.863 344 E HN 0.693 nan 8.360 nan 0.000 0.520 345 S N 1.262 116.702 115.700 -0.432 0.000 3.614 345 S HA -0.189 4.280 4.470 -0.001 0.000 0.360 345 S C -0.155 174.072 174.600 -0.621 0.000 1.023 345 S CA 0.712 58.511 58.200 -0.667 0.000 1.114 345 S CB -1.238 61.245 63.200 -1.194 0.000 0.907 345 S HN 0.306 nan 8.310 nan 0.000 0.470 346 K N 0.720 120.901 120.400 -0.365 0.000 2.448 346 K HA 0.239 4.559 4.320 -0.001 0.000 0.278 346 K C 0.470 176.889 176.600 -0.301 0.000 1.009 346 K CA 0.087 56.214 56.287 -0.266 0.000 0.995 346 K CB 0.329 32.733 32.500 -0.160 0.000 0.917 346 K HN 0.212 nan 8.250 nan 0.000 0.481 347 I N 1.493 121.917 120.570 -0.244 0.000 2.562 347 I HA 0.125 4.294 4.170 -0.001 0.000 0.301 347 I C 0.606 176.666 176.117 -0.095 0.000 1.003 347 I CA -0.556 60.620 61.300 -0.206 0.000 1.127 347 I CB 1.577 39.477 38.000 -0.166 0.000 1.304 347 I HN 0.647 nan 8.210 nan 0.000 0.446 348 S N 5.222 120.882 115.700 -0.067 0.000 2.541 348 S HA 0.385 4.854 4.470 -0.001 0.000 0.283 348 S C 1.109 175.721 174.600 0.020 0.000 1.196 348 S CA -0.592 57.587 58.200 -0.035 0.000 1.062 348 S CB 1.946 65.124 63.200 -0.037 0.000 1.009 348 S HN 0.481 nan 8.310 nan 0.000 0.502 349 R N 1.657 122.153 120.500 -0.007 0.000 2.133 349 R HA -0.173 4.166 4.340 -0.001 0.000 0.245 349 R C 2.146 178.502 176.300 0.093 0.000 1.137 349 R CA 2.279 58.387 56.100 0.013 0.000 0.947 349 R CB -1.422 28.858 30.300 -0.034 0.000 0.865 349 R HN 0.953 nan 8.270 nan 0.000 0.437 350 E N 1.103 121.335 120.200 0.054 0.000 2.070 350 E HA -0.182 4.167 4.350 -0.001 0.000 0.197 350 E C 1.218 177.861 176.600 0.071 0.000 1.004 350 E CA 2.085 58.520 56.400 0.058 0.000 0.805 350 E CB -0.321 29.396 29.700 0.028 0.000 0.744 350 E HN 0.278 nan 8.360 nan 0.000 0.451 351 D N -0.792 119.643 120.400 0.058 0.000 2.224 351 D HA -0.077 4.562 4.640 -0.001 0.000 0.205 351 D C 1.525 177.883 176.300 0.097 0.000 0.965 351 D CA 0.674 54.704 54.000 0.049 0.000 0.852 351 D CB -0.459 40.340 40.800 -0.003 0.000 0.947 351 D HN 0.283 nan 8.370 nan 0.000 0.494 352 F N 1.112 121.055 119.950 -0.011 0.000 2.126 352 F HA -0.180 4.347 4.527 -0.001 0.000 0.299 352 F C 2.027 177.846 175.800 0.031 0.000 1.096 352 F CA 1.391 59.398 58.000 0.011 0.000 1.255 352 F CB -0.197 38.791 39.000 -0.020 0.000 0.997 352 F HN -0.142 nan 8.300 nan 0.000 0.479 353 M N -0.063 119.604 119.600 0.112 0.000 2.374 353 M HA -0.133 4.347 4.480 -0.001 0.000 0.264 353 M C 1.912 178.186 176.300 -0.043 0.000 1.067 353 M CA 1.476 56.782 55.300 0.009 0.000 1.103 353 M CB -0.411 32.270 32.600 0.134 0.000 1.402 353 M HN 0.191 nan 8.290 nan 0.000 0.444 354 S N -0.196 115.495 115.700 -0.016 0.000 2.496 354 S HA 0.072 4.541 4.470 -0.001 0.000 0.224 354 S C 1.893 176.476 174.600 -0.027 0.000 0.996 354 S CA 0.694 58.887 58.200 -0.013 0.000 0.927 354 S CB -0.460 62.743 63.200 0.004 0.000 0.774 354 S HN 0.603 nan 8.310 nan 0.000 0.524 355 G N 1.699 110.462 108.800 -0.062 0.000 2.492 355 G HA2 0.003 3.962 3.960 -0.001 0.000 0.214 355 G HA3 0.003 3.962 3.960 -0.001 0.000 0.214 355 G C 1.479 176.319 174.900 -0.100 0.000 1.147 355 G CA 0.618 45.694 45.100 -0.040 0.000 0.809 355 G HN 0.507 nan 8.290 nan 0.000 0.533 356 V N 0.342 120.124 119.914 -0.219 0.000 2.407 356 V HA 0.076 4.196 4.120 -0.001 0.000 0.245 356 V C 2.485 178.536 176.094 -0.072 0.000 1.041 356 V CA 2.502 64.695 62.300 -0.179 0.000 1.040 356 V CB -0.306 31.367 31.823 -0.250 0.000 0.671 356 V HN 0.231 nan 8.190 nan 0.000 0.455 357 K N 0.467 120.832 120.400 -0.058 0.000 2.147 357 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 357 K C 1.848 178.434 176.600 -0.024 0.000 1.049 357 K CA 2.207 58.478 56.287 -0.028 0.000 0.936 357 K CB -0.890 31.602 32.500 -0.014 0.000 0.722 357 K HN 0.515 nan 8.250 nan 0.000 0.446 358 L N 0.264 121.473 121.223 -0.024 0.000 2.156 358 L HA 0.064 4.403 4.340 -0.001 0.000 0.208 358 L C 1.296 178.162 176.870 -0.005 0.000 1.095 358 L CA 1.541 56.362 54.840 -0.030 0.000 0.770 358 L CB -0.306 41.737 42.059 -0.027 0.000 0.914 358 L HN 0.111 nan 8.230 nan 0.000 0.439 359 S N -1.726 114.013 115.700 0.065 0.000 2.634 359 S HA 0.254 4.724 4.470 -0.001 0.000 0.221 359 S C 0.200 174.820 174.600 0.033 0.000 0.952 359 S CA -0.016 58.285 58.200 0.167 0.000 0.930 359 S CB 0.269 63.575 63.200 0.177 0.000 0.780 359 S HN 0.085 nan 8.310 nan 0.000 0.498 360 V N 1.848 121.742 119.914 -0.032 0.000 3.557 360 V HA 0.184 4.304 4.120 -0.001 0.000 0.335 360 V C -2.542 173.460 176.094 -0.153 0.000 1.061 360 V CA -1.013 61.165 62.300 -0.203 0.000 1.507 360 V CB 1.159 32.832 31.823 -0.251 0.000 0.821 360 V HN 0.042 nan 8.190 nan 0.000 0.496 361 P HA -0.095 nan 4.420 nan 0.000 0.223 361 P C 1.177 178.517 177.300 0.065 0.000 1.151 361 P CA 1.021 64.145 63.100 0.041 0.000 0.787 361 P CB -0.101 31.649 31.700 0.083 0.000 0.788 362 H N -0.925 118.166 119.070 0.035 0.000 2.689 362 H HA 0.502 5.057 4.556 -0.001 0.000 0.290 362 H C -0.097 175.246 175.328 0.025 0.000 1.089 362 H CA -0.177 55.888 56.048 0.028 0.000 1.194 362 H CB -0.638 29.146 29.762 0.036 0.000 1.289 362 H HN -0.026 nan 8.280 nan 0.000 0.616 363 A N 1.729 124.509 122.820 -0.065 0.000 2.475 363 A HA 0.352 4.671 4.320 -0.001 0.000 0.301 363 A C -0.059 177.514 177.584 -0.018 0.000 1.059 363 A CA -0.968 51.030 52.037 -0.064 0.000 0.710 363 A CB 1.906 20.830 19.000 -0.127 0.000 1.288 363 A HN 0.554 nan 8.150 nan 0.000 0.408 364 N N -0.081 118.616 118.700 -0.004 0.000 2.476 364 N HA 0.068 4.807 4.740 -0.001 0.000 0.287 364 N C 0.478 175.999 175.510 0.018 0.000 1.262 364 N CA 0.347 53.403 53.050 0.009 0.000 0.980 364 N CB 0.395 38.888 38.487 0.010 0.000 1.163 364 N HN 0.601 nan 8.380 nan 0.000 0.592 365 D N -1.378 119.036 120.400 0.025 0.000 2.354 365 D HA -0.151 4.489 4.640 -0.001 0.000 0.216 365 D C 1.725 178.054 176.300 0.047 0.000 0.970 365 D CA 0.547 54.569 54.000 0.036 0.000 0.905 365 D CB -0.249 40.572 40.800 0.035 0.000 0.903 365 D HN 0.477 nan 8.370 nan 0.000 0.508 366 L N 0.348 121.596 121.223 0.041 0.000 2.168 366 L HA 0.422 4.762 4.340 -0.001 0.000 0.203 366 L C 2.650 179.564 176.870 0.072 0.000 1.078 366 L CA 1.952 56.825 54.840 0.055 0.000 0.780 366 L CB -0.891 41.192 42.059 0.041 0.000 0.939 366 L HN 0.225 nan 8.230 nan 0.000 0.451 367 G N -0.438 108.388 108.800 0.043 0.000 2.443 367 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.219 367 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.219 367 G C 1.524 176.474 174.900 0.083 0.000 1.131 367 G CA 0.870 45.998 45.100 0.047 0.000 0.775 367 G HN 0.390 nan 8.290 nan 0.000 0.547 368 L N 0.128 121.390 121.223 0.065 0.000 2.095 368 L HA 0.018 4.358 4.340 -0.001 0.000 0.204 368 L C 2.408 179.348 176.870 0.117 0.000 1.080 368 L CA 0.770 55.653 54.840 0.072 0.000 0.759 368 L CB -0.283 41.804 42.059 0.046 0.000 0.914 368 L HN 0.056 nan 8.230 nan 0.000 0.439 369 D N 0.527 121.001 120.400 0.123 0.000 2.123 369 D HA -0.178 4.462 4.640 -0.001 0.000 0.196 369 D C 2.207 178.614 176.300 0.177 0.000 0.992 369 D CA 1.574 55.665 54.000 0.152 0.000 0.833 369 D CB 0.030 40.905 40.800 0.125 0.000 0.954 369 D HN 0.294 nan 8.370 nan 0.000 0.455 370 A N 0.551 123.487 122.820 0.194 0.000 1.902 370 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 370 A C 2.561 180.249 177.584 0.174 0.000 1.181 370 A CA 1.226 53.421 52.037 0.264 0.000 0.623 370 A CB -0.704 18.561 19.000 0.442 0.000 0.818 370 A HN 0.153 nan 8.150 nan 0.000 0.443 371 V N -0.093 119.944 119.914 0.204 0.000 2.307 371 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 371 V C 2.771 178.945 176.094 0.133 0.000 1.045 371 V CA 2.433 64.785 62.300 0.086 0.000 1.024 371 V CB -1.269 30.650 31.823 0.160 0.000 0.651 371 V HN 0.645 nan 8.190 nan 0.000 0.449 372 T N 0.965 115.640 114.554 0.202 0.000 2.635 372 T HA -0.261 4.089 4.350 -0.001 0.000 0.267 372 T C 1.925 176.807 174.700 0.305 0.000 1.040 372 T CA 2.050 64.350 62.100 0.334 0.000 1.156 372 T CB -0.505 68.567 68.868 0.340 0.000 0.863 372 T HN 0.342 nan 8.240 nan 0.000 0.430 373 L N 1.070 122.468 121.223 0.291 0.000 2.079 373 L HA -0.099 4.241 4.340 -0.001 0.000 0.210 373 L C 2.423 179.379 176.870 0.144 0.000 1.081 373 L CA 1.833 56.890 54.840 0.361 0.000 0.752 373 L CB -0.741 41.444 42.059 0.210 0.000 0.896 373 L HN 0.127 nan 8.230 nan 0.000 0.433 374 Q N -1.677 118.064 119.800 -0.098 0.000 2.230 374 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 374 Q C 0.977 176.705 176.000 -0.454 0.000 0.963 374 Q CA 1.623 57.183 55.803 -0.406 0.000 0.866 374 Q CB -0.070 28.091 28.738 -0.962 0.000 0.931 374 Q HN 0.725 nan 8.270 nan 0.000 0.452 375 Y N -1.453 118.816 120.300 -0.052 0.000 2.557 375 Y HA 0.330 4.880 4.550 -0.001 0.000 0.247 375 Y C -0.096 175.769 175.900 -0.059 0.000 1.164 375 Y CA -0.333 57.789 58.100 0.037 0.000 1.218 375 Y CB 1.032 39.615 38.460 0.206 0.000 1.210 375 Y HN -0.186 nan 8.280 nan 0.000 0.529 376 T N 0.782 115.254 114.554 -0.137 0.000 2.882 376 T HA 0.105 4.455 4.350 -0.001 0.000 0.287 376 T C -0.657 173.650 174.700 -0.654 0.000 0.992 376 T CA -0.491 61.228 62.100 -0.635 0.000 1.076 376 T CB 0.944 69.121 68.868 -1.152 0.000 0.961 376 T HN 0.030 nan 8.240 nan 0.000 0.490 377 D N 1.536 121.581 120.400 -0.592 0.000 2.428 377 D HA 0.162 4.801 4.640 -0.001 0.000 0.221 377 D C 0.161 176.210 176.300 -0.417 0.000 1.123 377 D CA -0.826 52.959 54.000 -0.358 0.000 0.869 377 D CB 0.240 40.914 40.800 -0.210 0.000 1.032 377 D HN 0.582 nan 8.370 nan 0.000 0.506 378 W N 3.167 124.424 121.300 -0.071 0.000 2.538 378 W HA -0.046 4.614 4.660 -0.001 0.000 0.254 378 W C 1.035 177.523 176.519 -0.051 0.000 1.249 378 W CA 0.147 57.456 57.345 -0.061 0.000 1.253 378 W CB -0.223 29.207 29.460 -0.050 0.000 1.130 378 W HN 0.406 nan 8.180 nan 0.000 0.618 379 M N 0.015 119.670 119.600 0.092 0.000 2.158 379 M HA 0.474 4.954 4.480 -0.001 0.000 0.326 379 M C -0.638 175.659 176.300 -0.004 0.000 1.014 379 M CA -0.051 55.283 55.300 0.056 0.000 0.961 379 M CB 1.421 34.054 32.600 0.055 0.000 1.327 379 M HN -0.059 nan 8.290 nan 0.000 0.393 380 D N 1.308 121.691 120.400 -0.028 0.000 4.260 380 D HA -0.240 4.400 4.640 -0.001 0.000 0.229 380 D C 0.972 177.215 176.300 -0.095 0.000 0.393 380 D CA 1.492 55.460 54.000 -0.054 0.000 0.659 380 D CB -0.686 40.079 40.800 -0.058 0.000 1.603 380 D HN 0.768 nan 8.370 nan 0.000 0.170 381 D N 0.713 121.016 120.400 -0.162 0.000 8.334 381 D HA -0.311 4.329 4.640 -0.001 0.000 0.194 381 D C 0.784 176.958 176.300 -0.211 0.000 2.171 381 D CA 1.529 55.370 54.000 -0.265 0.000 0.778 381 D CB -0.828 39.754 40.800 -0.364 0.000 0.647 381 D HN 0.402 nan 8.370 nan 0.000 0.881 382 N N 0.432 119.057 118.700 -0.125 0.000 2.314 382 N HA 0.007 4.747 4.740 -0.001 0.000 0.200 382 N C -0.199 175.257 175.510 -0.090 0.000 1.135 382 N CA -0.122 52.871 53.050 -0.095 0.000 0.835 382 N CB -0.308 38.145 38.487 -0.056 0.000 0.989 382 N HN 0.528 nan 8.380 nan 0.000 0.478 383 N N -0.317 118.319 118.700 -0.106 0.000 2.411 383 N HA 0.103 4.842 4.740 -0.001 0.000 0.259 383 N C 1.440 176.897 175.510 -0.089 0.000 1.103 383 N CA -0.299 52.700 53.050 -0.085 0.000 0.954 383 N CB 0.817 39.257 38.487 -0.078 0.000 1.085 383 N HN 0.018 nan 8.380 nan 0.000 0.485 384 G N 4.554 113.309 108.800 -0.075 0.000 2.446 384 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 384 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 384 G C 1.378 176.237 174.900 -0.069 0.000 1.168 384 G CA 0.663 45.714 45.100 -0.083 0.000 0.771 384 G HN 0.606 nan 8.290 nan 0.000 0.551 385 I N 1.045 121.588 120.570 -0.045 0.000 2.076 385 I HA -0.165 4.005 4.170 -0.001 0.000 0.237 385 I C 2.589 178.715 176.117 0.016 0.000 1.059 385 I CA 1.504 62.798 61.300 -0.008 0.000 1.317 385 I CB -1.398 36.609 38.000 0.011 0.000 1.037 385 I HN 0.171 nan 8.210 nan 0.000 0.398 386 K N 0.598 120.993 120.400 -0.008 0.000 2.089 386 K HA -0.224 4.095 4.320 -0.001 0.000 0.210 386 K C 1.923 178.519 176.600 -0.007 0.000 1.048 386 K CA 1.761 58.040 56.287 -0.012 0.000 0.926 386 K CB -0.158 32.300 32.500 -0.069 0.000 0.714 386 K HN 0.317 nan 8.250 nan 0.000 0.448 387 N N 0.351 119.020 118.700 -0.050 0.000 2.120 387 N HA -0.163 4.577 4.740 -0.001 0.000 0.188 387 N C 1.674 177.322 175.510 0.229 0.000 1.024 387 N CA 0.983 54.038 53.050 0.009 0.000 0.852 387 N CB -0.182 38.289 38.487 -0.027 0.000 1.003 387 N HN 0.206 nan 8.380 nan 0.000 0.424 388 R N 1.014 121.588 120.500 0.123 0.000 2.088 388 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 388 R C 0.963 177.437 176.300 0.290 0.000 1.136 388 R CA 1.749 57.956 56.100 0.178 0.000 0.926 388 R CB -0.168 30.148 30.300 0.026 0.000 0.837 388 R HN 0.088 nan 8.270 nan 0.000 0.429 389 D N -0.602 119.932 120.400 0.223 0.000 2.182 389 D HA -0.118 4.522 4.640 -0.001 0.000 0.201 389 D C 1.660 178.105 176.300 0.241 0.000 0.986 389 D CA 1.441 55.579 54.000 0.231 0.000 0.847 389 D CB -0.493 40.414 40.800 0.180 0.000 0.942 389 D HN 0.558 nan 8.370 nan 0.000 0.467 390 G N 0.507 109.468 108.800 0.269 0.000 2.404 390 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.215 390 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.215 390 G C 1.531 176.595 174.900 0.274 0.000 1.174 390 G CA 0.151 45.470 45.100 0.364 0.000 0.780 390 G HN 0.175 nan 8.290 nan 0.000 0.537 391 L N 1.133 122.525 121.223 0.282 0.000 2.083 391 L HA -0.022 4.317 4.340 -0.001 0.000 0.209 391 L C 2.332 179.205 176.870 0.006 0.000 1.083 391 L CA 1.634 56.519 54.840 0.075 0.000 0.752 391 L CB -0.687 41.495 42.059 0.204 0.000 0.899 391 L HN 0.187 nan 8.230 nan 0.000 0.433 392 D N -0.455 120.011 120.400 0.110 0.000 2.092 392 D HA -0.219 4.421 4.640 -0.001 0.000 0.193 392 D C 1.668 177.992 176.300 0.039 0.000 0.994 392 D CA 1.413 55.462 54.000 0.083 0.000 0.828 392 D CB 0.114 41.043 40.800 0.215 0.000 0.963 392 D HN 0.304 nan 8.370 nan 0.000 0.450 393 D N 0.070 120.530 120.400 0.099 0.000 2.097 393 D HA -0.110 4.530 4.640 -0.001 0.000 0.195 393 D C 2.385 178.675 176.300 -0.017 0.000 0.989 393 D CA 0.418 54.503 54.000 0.141 0.000 0.827 393 D CB -0.262 40.743 40.800 0.341 0.000 0.966 393 D HN 0.358 nan 8.370 nan 0.000 0.456 394 I N 0.630 121.013 120.570 -0.312 0.000 2.091 394 I HA -0.268 3.901 4.170 -0.001 0.000 0.239 394 I C 2.477 178.444 176.117 -0.251 0.000 1.061 394 I CA 0.891 61.944 61.300 -0.413 0.000 1.317 394 I CB -0.285 37.447 38.000 -0.447 0.000 1.031 394 I HN -0.098 nan 8.210 nan 0.000 0.401 395 V N 0.936 120.690 119.914 -0.267 0.000 2.427 395 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 395 V C 2.449 178.300 176.094 -0.404 0.000 1.051 395 V CA 1.999 64.064 62.300 -0.393 0.000 1.048 395 V CB -1.329 30.165 31.823 -0.549 0.000 0.666 395 V HN 0.589 nan 8.190 nan 0.000 0.456 396 G N -0.041 108.616 108.800 -0.238 0.000 2.524 396 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.215 396 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.215 396 G C 1.191 175.990 174.900 -0.167 0.000 1.239 396 G CA 1.008 46.009 45.100 -0.164 0.000 0.798 396 G HN 0.465 nan 8.290 nan 0.000 0.557 397 D N 0.059 120.420 120.400 -0.064 0.000 2.154 397 D HA -0.206 4.433 4.640 -0.001 0.000 0.190 397 D C 2.045 178.100 176.300 -0.408 0.000 1.003 397 D CA 1.795 55.759 54.000 -0.060 0.000 0.849 397 D CB -0.654 40.303 40.800 0.262 0.000 0.942 397 D HN 0.467 nan 8.370 nan 0.000 0.446 398 H N 0.680 119.185 119.070 -0.942 0.000 2.321 398 H HA 0.019 4.575 4.556 -0.001 0.000 0.300 398 H C 1.635 176.640 175.328 -0.539 0.000 1.087 398 H CA 1.818 57.187 56.048 -1.131 0.000 1.319 398 H CB -0.042 28.878 29.762 -1.404 0.000 1.379 398 H HN 0.055 nan 8.280 nan 0.000 0.501 399 N N -0.719 117.662 118.700 -0.532 0.000 2.376 399 N HA -0.037 4.703 4.740 -0.001 0.000 0.177 399 N C 1.093 176.491 175.510 -0.187 0.000 1.024 399 N CA 1.134 53.921 53.050 -0.438 0.000 0.893 399 N CB 0.880 38.997 38.487 -0.617 0.000 0.980 399 N HN 0.246 nan 8.380 nan 0.000 0.439 400 V N 0.463 120.273 119.914 -0.172 0.000 3.668 400 V HA 0.116 4.235 4.120 -0.001 0.000 0.199 400 V C 2.045 178.123 176.094 -0.026 0.000 1.241 400 V CA -0.125 62.171 62.300 -0.008 0.000 1.308 400 V CB -0.077 31.789 31.823 0.071 0.000 1.411 400 V HN -0.072 nan 8.190 nan 0.000 0.535 401 I N 0.753 121.318 120.570 -0.008 0.000 2.113 401 I HA -0.360 3.809 4.170 -0.001 0.000 0.242 401 I C 2.527 178.669 176.117 0.042 0.000 1.064 401 I CA 2.133 63.454 61.300 0.036 0.000 1.320 401 I CB -0.487 37.569 38.000 0.093 0.000 1.028 401 I HN 0.419 nan 8.210 nan 0.000 0.406 402 c N 0.216 118.833 118.600 0.027 0.000 2.450 402 c HA -0.019 4.550 4.570 -0.001 0.000 0.279 402 c C 0.257 174.395 174.090 0.080 0.000 1.335 402 c CA 0.529 56.916 56.329 0.097 0.000 1.749 402 c CB -1.690 40.928 42.510 0.180 0.000 1.963 402 c HN 0.358 nan 8.230 nan 0.000 0.501 403 P HA -0.098 nan 4.420 nan 0.000 0.216 403 P C 1.790 179.129 177.300 0.065 0.000 1.153 403 P CA 1.065 64.161 63.100 -0.006 0.000 0.848 403 P CB -0.166 31.434 31.700 -0.168 0.000 0.787 404 L N -1.616 119.616 121.223 0.015 0.000 2.017 404 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 404 L C 2.122 179.049 176.870 0.095 0.000 1.073 404 L CA 1.837 56.698 54.840 0.035 0.000 0.745 404 L CB -0.598 41.452 42.059 -0.016 0.000 0.894 404 L HN -0.095 nan 8.230 nan 0.000 0.432 405 M N -0.942 118.707 119.600 0.082 0.000 2.202 405 M HA -0.243 4.237 4.480 -0.001 0.000 0.262 405 M C 2.290 178.673 176.300 0.138 0.000 1.063 405 M CA 1.677 57.029 55.300 0.086 0.000 1.097 405 M CB -1.675 30.996 32.600 0.118 0.000 1.382 405 M HN 0.459 nan 8.290 nan 0.000 0.413 406 H N -0.183 118.940 119.070 0.088 0.000 2.389 406 H HA -0.156 4.400 4.556 -0.001 0.000 0.299 406 H C 1.806 177.183 175.328 0.081 0.000 1.081 406 H CA 1.762 57.864 56.048 0.090 0.000 1.345 406 H CB -0.378 29.434 29.762 0.084 0.000 1.393 406 H HN 0.273 nan 8.280 nan 0.000 0.520 407 F N 0.439 120.303 119.950 -0.144 0.000 2.113 407 F HA -0.136 4.391 4.527 -0.001 0.000 0.297 407 F C 2.506 178.219 175.800 -0.144 0.000 1.103 407 F CA 1.584 59.466 58.000 -0.197 0.000 1.248 407 F CB -0.796 38.113 39.000 -0.152 0.000 0.999 407 F HN 0.133 nan 8.300 nan 0.000 0.475 408 V N 0.597 120.423 119.914 -0.147 0.000 2.626 408 V HA -0.200 3.919 4.120 -0.001 0.000 0.252 408 V C 2.009 177.968 176.094 -0.225 0.000 1.067 408 V CA 2.349 64.476 62.300 -0.288 0.000 1.081 408 V CB -0.754 30.845 31.823 -0.373 0.000 0.686 408 V HN 0.406 nan 8.190 nan 0.000 0.468 409 N N 0.667 119.308 118.700 -0.099 0.000 2.171 409 N HA -0.068 4.672 4.740 -0.001 0.000 0.184 409 N C 1.805 177.302 175.510 -0.021 0.000 1.021 409 N CA 1.453 54.536 53.050 0.055 0.000 0.854 409 N CB -0.307 38.256 38.487 0.127 0.000 0.994 409 N HN 0.463 nan 8.380 nan 0.000 0.426 410 K N 0.439 120.739 120.400 -0.167 0.000 2.025 410 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 410 K C 2.001 178.555 176.600 -0.076 0.000 1.049 410 K CA 0.685 56.898 56.287 -0.123 0.000 0.933 410 K CB -0.837 31.517 32.500 -0.244 0.000 0.714 410 K HN 0.269 nan 8.250 nan 0.000 0.438 411 Y N 2.573 122.598 120.300 -0.459 0.000 2.128 411 Y HA -0.254 4.295 4.550 -0.001 0.000 0.284 411 Y C 2.249 178.131 175.900 -0.029 0.000 1.154 411 Y CA 2.139 59.962 58.100 -0.462 0.000 1.149 411 Y CB -0.491 37.403 38.460 -0.944 0.000 0.976 411 Y HN 0.074 nan 8.280 nan 0.000 0.505 412 T N -0.709 113.865 114.554 0.033 0.000 2.803 412 T HA -0.269 4.081 4.350 -0.001 0.000 0.269 412 T C 2.008 176.721 174.700 0.022 0.000 1.052 412 T CA 1.671 63.836 62.100 0.108 0.000 1.136 412 T CB -0.429 68.597 68.868 0.263 0.000 0.864 412 T HN 0.227 nan 8.240 nan 0.000 0.467 413 K N 0.577 120.964 120.400 -0.022 0.000 2.113 413 K HA -0.079 4.241 4.320 -0.001 0.000 0.208 413 K C 1.606 178.008 176.600 -0.329 0.000 1.047 413 K CA 1.290 57.457 56.287 -0.200 0.000 0.928 413 K CB -0.760 31.570 32.500 -0.282 0.000 0.716 413 K HN 0.663 nan 8.250 nan 0.000 0.446 414 F N -0.537 119.350 119.950 -0.104 0.000 2.727 414 F HA 0.401 4.928 4.527 -0.001 0.000 0.302 414 F C 1.681 177.381 175.800 -0.166 0.000 1.107 414 F CA -0.115 57.789 58.000 -0.160 0.000 1.277 414 F CB -0.129 38.695 39.000 -0.294 0.000 1.079 414 F HN 0.298 nan 8.300 nan 0.000 0.594 415 G N 0.062 108.828 108.800 -0.056 0.000 2.647 415 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.271 415 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.271 415 G C 0.328 175.290 174.900 0.103 0.000 1.300 415 G CA -0.273 44.816 45.100 -0.018 0.000 0.997 415 G HN 0.311 nan 8.290 nan 0.000 0.533 416 N N -0.335 118.473 118.700 0.180 0.000 2.416 416 N HA 0.331 5.071 4.740 -0.001 0.000 0.267 416 N C 0.164 175.752 175.510 0.130 0.000 1.294 416 N CA 0.455 53.581 53.050 0.126 0.000 0.891 416 N CB 0.257 38.810 38.487 0.110 0.000 1.238 416 N HN 0.979 nan 8.380 nan 0.000 0.508 417 G N 0.700 109.582 108.800 0.136 0.000 2.873 417 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.507 417 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.507 417 G C -1.223 173.710 174.900 0.054 0.000 1.440 417 G CA -0.805 44.326 45.100 0.053 0.000 1.016 417 G HN 0.043 nan 8.290 nan 0.000 0.615 418 T N 1.729 116.203 114.554 -0.134 0.000 2.841 418 T HA 0.699 5.048 4.350 -0.001 0.000 0.283 418 T C -1.119 173.350 174.700 -0.385 0.000 1.000 418 T CA -0.270 61.768 62.100 -0.103 0.000 0.977 418 T CB 1.224 70.112 68.868 0.034 0.000 0.979 418 T HN 0.425 nan 8.240 nan 0.000 0.446 419 Y N 2.058 122.281 120.300 -0.128 0.000 2.361 419 Y HA 0.677 5.227 4.550 -0.001 0.000 0.337 419 Y C -0.528 175.396 175.900 0.041 0.000 0.965 419 Y CA -1.111 56.860 58.100 -0.215 0.000 1.091 419 Y CB 1.658 39.606 38.460 -0.853 0.000 1.182 419 Y HN 0.402 nan 8.280 nan 0.000 0.450 420 L N 5.726 127.303 121.223 0.589 0.000 2.365 420 L HA 0.609 4.948 4.340 -0.001 0.000 0.273 420 L C -1.382 175.905 176.870 0.695 0.000 1.000 420 L CA -1.012 54.104 54.840 0.460 0.000 0.819 420 L CB 0.930 43.148 42.059 0.264 0.000 1.284 420 L HN 0.532 nan 8.230 nan 0.000 0.418 421 Y N 3.205 123.777 120.300 0.453 0.000 2.570 421 Y HA 0.758 5.307 4.550 -0.001 0.000 0.345 421 Y C -1.781 174.313 175.900 0.322 0.000 1.014 421 Y CA -2.182 56.126 58.100 0.346 0.000 1.063 421 Y CB 1.410 40.041 38.460 0.285 0.000 1.272 421 Y HN 0.525 nan 8.280 nan 0.000 0.477 422 F N 4.207 124.427 119.950 0.449 0.000 2.716 422 F HA 0.440 4.967 4.527 -0.001 0.000 0.354 422 F C -1.984 174.080 175.800 0.440 0.000 1.168 422 F CA -1.581 56.611 58.000 0.320 0.000 1.045 422 F CB 0.700 39.832 39.000 0.220 0.000 1.311 422 F HN 0.575 nan 8.300 nan 0.000 0.477 423 F N 7.590 127.558 119.950 0.030 0.000 2.421 423 F HA 0.314 4.841 4.527 -0.001 0.000 0.358 423 F C 0.159 175.839 175.800 -0.202 0.000 1.115 423 F CA -0.266 57.728 58.000 -0.010 0.000 1.160 423 F CB 0.573 39.598 39.000 0.041 0.000 1.123 423 F HN 0.520 nan 8.300 nan 0.000 0.508 424 N N 3.084 121.541 118.700 -0.405 0.000 2.451 424 N HA 0.093 4.832 4.740 -0.001 0.000 0.271 424 N C -1.093 174.210 175.510 -0.344 0.000 1.410 424 N CA -0.511 52.380 53.050 -0.267 0.000 0.884 424 N CB -0.646 37.887 38.487 0.075 0.000 1.332 424 N HN 0.581 nan 8.380 nan 0.000 0.498 425 H N 0.797 119.307 119.070 -0.933 0.000 2.489 425 H HA 0.491 5.047 4.556 -0.001 0.000 0.322 425 H C -0.357 174.777 175.328 -0.323 0.000 1.091 425 H CA -0.639 55.031 56.048 -0.631 0.000 1.291 425 H CB 1.033 30.298 29.762 -0.829 0.000 1.436 425 H HN 0.147 nan 8.280 nan 0.000 0.480 426 R N 4.098 124.156 120.500 -0.737 0.000 2.204 426 R HA 0.512 4.852 4.340 -0.001 0.000 0.341 426 R C -0.716 175.298 176.300 -0.477 0.000 1.035 426 R CA -0.470 55.387 56.100 -0.405 0.000 0.887 426 R CB 0.075 30.234 30.300 -0.234 0.000 1.114 426 R HN 0.766 nan 8.270 nan 0.000 0.473 427 A N 3.368 126.171 122.820 -0.028 0.000 2.584 427 A HA 0.009 4.328 4.320 -0.001 0.000 0.239 427 A C 1.368 179.007 177.584 0.091 0.000 1.043 427 A CA 0.631 52.832 52.037 0.273 0.000 0.756 427 A CB 0.082 19.386 19.000 0.506 0.000 0.963 427 A HN 1.078 nan 8.150 nan 0.000 0.511 428 S N 2.049 117.837 115.700 0.146 0.000 2.387 428 S HA -0.243 4.227 4.470 -0.001 0.000 0.230 428 S C 0.977 175.553 174.600 -0.040 0.000 1.035 428 S CA 1.522 59.751 58.200 0.048 0.000 1.014 428 S CB -0.594 62.655 63.200 0.082 0.000 0.836 428 S HN 0.984 nan 8.310 nan 0.000 0.466 429 N N 1.028 119.653 118.700 -0.124 0.000 2.295 429 N HA 0.229 4.968 4.740 -0.001 0.000 0.221 429 N C -0.051 175.370 175.510 -0.147 0.000 1.129 429 N CA -0.284 52.654 53.050 -0.187 0.000 0.836 429 N CB -0.519 37.758 38.487 -0.349 0.000 1.040 429 N HN 0.410 nan 8.380 nan 0.000 0.494 430 L N 1.508 122.685 121.223 -0.077 0.000 2.540 430 L HA -0.027 4.313 4.340 -0.001 0.000 0.276 430 L C 1.402 178.221 176.870 -0.085 0.000 1.212 430 L CA 0.005 54.808 54.840 -0.062 0.000 0.893 430 L CB 0.916 42.953 42.059 -0.037 0.000 1.138 430 L HN 0.210 nan 8.230 nan 0.000 0.491 431 V N 1.081 120.906 119.914 -0.149 0.000 3.235 431 V HA 0.021 4.140 4.120 -0.001 0.000 0.259 431 V C 0.659 176.712 176.094 -0.068 0.000 1.133 431 V CA -0.386 61.814 62.300 -0.167 0.000 1.128 431 V CB -0.685 30.908 31.823 -0.383 0.000 0.757 431 V HN 0.635 nan 8.190 nan 0.000 0.469 432 W N 1.977 123.298 121.300 0.035 0.000 2.161 432 W HA 0.508 5.167 4.660 -0.001 0.000 0.344 432 W C -1.606 174.834 176.519 -0.132 0.000 1.262 432 W CA -1.896 55.431 57.345 -0.030 0.000 1.270 432 W CB -0.363 29.001 29.460 -0.160 0.000 1.126 432 W HN 0.015 nan 8.180 nan 0.000 0.598 433 P HA -0.057 nan 4.420 nan 0.000 0.271 433 P C 0.286 177.544 177.300 -0.070 0.000 1.244 433 P CA 0.182 63.279 63.100 -0.004 0.000 0.793 433 P CB 1.037 32.776 31.700 0.065 0.000 0.984 434 E N 1.246 121.467 120.200 0.036 0.000 2.058 434 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 434 E C 1.774 178.422 176.600 0.080 0.000 0.997 434 E CA 1.717 58.151 56.400 0.056 0.000 0.801 434 E CB -0.853 28.910 29.700 0.106 0.000 0.746 434 E HN 0.635 nan 8.360 nan 0.000 0.450 435 W N -0.244 121.103 121.300 0.077 0.000 2.480 435 W HA -0.136 4.524 4.660 -0.001 0.000 0.257 435 W C 1.224 177.806 176.519 0.105 0.000 1.235 435 W CA 0.534 57.936 57.345 0.094 0.000 1.218 435 W CB -0.768 28.759 29.460 0.111 0.000 1.131 435 W HN 0.102 nan 8.180 nan 0.000 0.606 436 M N 1.094 120.328 119.600 -0.609 0.000 2.447 436 M HA 0.113 4.592 4.480 -0.001 0.000 0.264 436 M C 1.837 178.008 176.300 -0.216 0.000 1.095 436 M CA 1.529 56.435 55.300 -0.657 0.000 1.125 436 M CB -0.582 31.521 32.600 -0.828 0.000 1.389 436 M HN 0.159 nan 8.290 nan 0.000 0.459 437 G N 0.610 109.349 108.800 -0.102 0.000 2.583 437 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.292 437 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.292 437 G C -0.179 174.704 174.900 -0.028 0.000 1.203 437 G CA -0.183 44.903 45.100 -0.023 0.000 0.987 437 G HN 0.228 nan 8.290 nan 0.000 0.554 438 V N 1.838 121.766 119.914 0.024 0.000 2.322 438 V HA 0.436 4.556 4.120 -0.001 0.000 0.258 438 V C 0.980 177.149 176.094 0.125 0.000 1.074 438 V CA -0.142 62.209 62.300 0.085 0.000 0.909 438 V CB 0.364 32.239 31.823 0.086 0.000 1.090 438 V HN 0.543 nan 8.190 nan 0.000 0.486 439 I N 3.307 123.948 120.570 0.119 0.000 2.638 439 I HA 0.155 4.324 4.170 -0.001 0.000 0.286 439 I C 0.822 177.102 176.117 0.272 0.000 1.088 439 I CA -0.492 60.893 61.300 0.141 0.000 1.397 439 I CB 0.314 38.300 38.000 -0.023 0.000 1.414 439 I HN 0.609 nan 8.210 nan 0.000 0.566 440 H N 4.545 123.639 119.070 0.041 0.000 3.145 440 H HA 0.242 4.798 4.556 -0.001 0.000 0.288 440 H C 0.854 176.046 175.328 -0.227 0.000 0.969 440 H CA 0.930 56.938 56.048 -0.067 0.000 1.444 440 H CB 0.066 29.755 29.762 -0.121 0.000 1.500 440 H HN 0.757 nan 8.280 nan 0.000 0.552 441 G N 3.668 112.223 108.800 -0.408 0.000 2.259 441 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.217 441 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.217 441 G C 0.591 175.338 174.900 -0.256 0.000 1.001 441 G CA 0.192 45.014 45.100 -0.464 0.000 0.627 441 G HN 0.595 nan 8.290 nan 0.000 0.501 442 Y N 2.024 122.370 120.300 0.077 0.000 2.477 442 Y HA 0.228 4.778 4.550 -0.001 0.000 0.303 442 Y C 2.364 178.299 175.900 0.059 0.000 1.202 442 Y CA 1.112 59.318 58.100 0.175 0.000 1.282 442 Y CB 0.393 39.004 38.460 0.252 0.000 1.071 442 Y HN 0.514 nan 8.280 nan 0.000 0.510 443 E N -0.046 120.009 120.200 -0.241 0.000 2.364 443 E HA -0.047 4.302 4.350 -0.001 0.000 0.196 443 E C 1.674 178.108 176.600 -0.277 0.000 0.990 443 E CA 0.547 56.453 56.400 -0.822 0.000 0.886 443 E CB -0.478 28.463 29.700 -1.265 0.000 0.866 443 E HN 0.517 nan 8.360 nan 0.000 0.493 444 I N 1.671 122.183 120.570 -0.096 0.000 2.194 444 I HA -0.313 3.857 4.170 -0.001 0.000 0.246 444 I C 2.338 178.456 176.117 0.003 0.000 1.093 444 I CA 1.856 63.161 61.300 0.008 0.000 1.355 444 I CB -0.406 37.638 38.000 0.074 0.000 1.046 444 I HN 0.128 nan 8.210 nan 0.000 0.413 445 E N 0.595 120.787 120.200 -0.013 0.000 2.070 445 E HA -0.246 4.103 4.350 -0.001 0.000 0.197 445 E C 2.137 178.622 176.600 -0.191 0.000 1.004 445 E CA 1.740 58.085 56.400 -0.091 0.000 0.805 445 E CB -0.237 29.466 29.700 0.005 0.000 0.744 445 E HN 0.413 nan 8.360 nan 0.000 0.451 446 F N 0.043 119.885 119.950 -0.180 0.000 2.206 446 F HA -0.134 4.393 4.527 -0.001 0.000 0.298 446 F C 2.272 177.889 175.800 -0.306 0.000 1.090 446 F CA 0.560 58.423 58.000 -0.229 0.000 1.323 446 F CB -0.462 38.471 39.000 -0.112 0.000 1.028 446 F HN -0.116 nan 8.300 nan 0.000 0.492 447 V N -1.195 118.607 119.914 -0.188 0.000 2.427 447 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 447 V C 1.706 177.596 176.094 -0.341 0.000 1.051 447 V CA 1.541 63.582 62.300 -0.432 0.000 1.048 447 V CB -0.657 30.897 31.823 -0.450 0.000 0.666 447 V HN 0.200 nan 8.190 nan 0.000 0.456 448 F N 0.449 120.231 119.950 -0.281 0.000 2.765 448 F HA 0.412 4.938 4.527 -0.001 0.000 0.302 448 F C 1.805 177.470 175.800 -0.225 0.000 1.111 448 F CA 0.545 58.405 58.000 -0.232 0.000 1.359 448 F CB -0.249 38.593 39.000 -0.262 0.000 1.097 448 F HN 0.258 nan 8.300 nan 0.000 0.577 449 G N 0.464 109.155 108.800 -0.182 0.000 2.198 449 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.260 449 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.260 449 G C 1.151 175.709 174.900 -0.570 0.000 1.025 449 G CA 0.353 45.267 45.100 -0.310 0.000 0.769 449 G HN 0.276 nan 8.290 nan 0.000 0.507 450 L N -0.422 120.440 121.223 -0.600 0.000 2.127 450 L HA -0.060 4.280 4.340 -0.001 0.000 0.211 450 L C 0.469 176.908 176.870 -0.718 0.000 1.089 450 L CA 2.529 56.961 54.840 -0.680 0.000 0.757 450 L CB -1.853 39.949 42.059 -0.428 0.000 0.899 450 L HN 0.198 nan 8.230 nan 0.000 0.434 451 P HA -0.154 nan 4.420 nan 0.000 0.219 451 P C 1.936 178.965 177.300 -0.453 0.000 1.146 451 P CA 0.957 63.445 63.100 -1.020 0.000 0.808 451 P CB 0.033 31.043 31.700 -1.150 0.000 0.779 452 L N -1.238 119.742 121.223 -0.404 0.000 2.549 452 L HA -0.033 4.307 4.340 -0.001 0.000 0.230 452 L C 1.046 177.803 176.870 -0.189 0.000 1.162 452 L CA 0.460 55.158 54.840 -0.237 0.000 0.834 452 L CB -0.857 41.100 42.059 -0.171 0.000 0.947 452 L HN -0.029 nan 8.230 nan 0.000 0.452 453 V N -2.648 117.122 119.914 -0.241 0.000 2.347 453 V HA 0.271 4.390 4.120 -0.001 0.000 0.280 453 V C 1.065 177.121 176.094 -0.063 0.000 1.021 453 V CA -0.762 61.458 62.300 -0.134 0.000 0.847 453 V CB 1.865 33.593 31.823 -0.160 0.000 0.990 453 V HN -0.000 nan 8.190 nan 0.000 0.444 454 K N 3.698 124.077 120.400 -0.035 0.000 2.063 454 K HA -0.130 4.189 4.320 -0.001 0.000 0.208 454 K C 1.716 178.306 176.600 -0.016 0.000 1.048 454 K CA 2.274 58.553 56.287 -0.014 0.000 0.928 454 K CB -0.264 32.228 32.500 -0.015 0.000 0.713 454 K HN 0.926 nan 8.250 nan 0.000 0.442 455 E N 0.169 120.353 120.200 -0.026 0.000 2.253 455 E HA -0.192 4.157 4.350 -0.001 0.000 0.202 455 E C 1.290 177.862 176.600 -0.048 0.000 1.014 455 E CA 1.049 57.428 56.400 -0.035 0.000 0.823 455 E CB -0.260 29.420 29.700 -0.034 0.000 0.736 455 E HN 0.305 nan 8.360 nan 0.000 0.478 456 L N 0.167 121.371 121.223 -0.032 0.000 2.627 456 L HA 0.103 4.443 4.340 -0.001 0.000 0.233 456 L C -0.238 176.541 176.870 -0.152 0.000 1.144 456 L CA 0.048 54.856 54.840 -0.054 0.000 0.892 456 L CB -0.846 41.250 42.059 0.062 0.000 1.039 456 L HN 0.212 nan 8.230 nan 0.000 0.442 457 N N -1.412 117.233 118.700 -0.092 0.000 2.740 457 N HA -0.236 4.503 4.740 -0.001 0.000 0.248 457 N C -0.639 174.773 175.510 -0.163 0.000 1.062 457 N CA 0.162 53.138 53.050 -0.123 0.000 0.704 457 N CB -1.230 37.159 38.487 -0.163 0.000 0.968 457 N HN 0.310 nan 8.380 nan 0.000 0.547 458 Y N 0.407 120.664 120.300 -0.072 0.000 2.432 458 Y HA 0.351 4.900 4.550 -0.001 0.000 0.322 458 Y C 1.545 177.432 175.900 -0.022 0.000 1.246 458 Y CA -0.381 57.688 58.100 -0.051 0.000 1.268 458 Y CB 0.847 39.236 38.460 -0.118 0.000 1.276 458 Y HN 0.037 nan 8.280 nan 0.000 0.499 459 T N -1.737 112.941 114.554 0.206 0.000 2.828 459 T HA 0.381 4.730 4.350 -0.001 0.000 0.290 459 T C 1.136 175.890 174.700 0.091 0.000 1.019 459 T CA -0.233 61.941 62.100 0.123 0.000 1.031 459 T CB 1.261 70.204 68.868 0.125 0.000 1.001 459 T HN 0.778 nan 8.240 nan 0.000 0.531 460 A N 1.144 123.995 122.820 0.052 0.000 1.972 460 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 460 A C 2.313 179.908 177.584 0.019 0.000 1.169 460 A CA 1.328 53.380 52.037 0.025 0.000 0.635 460 A CB -0.726 18.284 19.000 0.017 0.000 0.810 460 A HN 0.964 nan 8.150 nan 0.000 0.446 461 E N 0.359 120.578 120.200 0.031 0.000 2.208 461 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 461 E C 1.339 177.947 176.600 0.012 0.000 0.988 461 E CA 1.138 57.545 56.400 0.012 0.000 0.828 461 E CB -0.474 29.231 29.700 0.008 0.000 0.763 461 E HN 0.779 nan 8.360 nan 0.000 0.478 462 E N 1.110 121.350 120.200 0.067 0.000 2.208 462 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 462 E C 2.009 178.615 176.600 0.009 0.000 0.988 462 E CA 1.013 57.503 56.400 0.150 0.000 0.828 462 E CB 0.006 29.894 29.700 0.314 0.000 0.763 462 E HN 0.442 nan 8.360 nan 0.000 0.478 463 E N 1.166 121.338 120.200 -0.047 0.000 2.152 463 E HA -0.120 4.229 4.350 -0.001 0.000 0.192 463 E C 1.927 178.487 176.600 -0.066 0.000 0.983 463 E CA 0.974 57.309 56.400 -0.110 0.000 0.818 463 E CB 0.001 29.652 29.700 -0.080 0.000 0.758 463 E HN 0.179 nan 8.360 nan 0.000 0.467 464 A N 1.183 123.984 122.820 -0.032 0.000 1.855 464 A HA -0.100 4.219 4.320 -0.001 0.000 0.215 464 A C 2.193 179.759 177.584 -0.031 0.000 1.191 464 A CA 1.304 53.320 52.037 -0.035 0.000 0.613 464 A CB -0.844 18.140 19.000 -0.028 0.000 0.829 464 A HN 0.402 nan 8.150 nan 0.000 0.442 465 L N 0.113 121.336 121.223 0.001 0.000 2.013 465 L HA -0.155 4.185 4.340 -0.001 0.000 0.212 465 L C 2.569 179.489 176.870 0.082 0.000 1.073 465 L CA 2.771 57.625 54.840 0.023 0.000 0.753 465 L CB -0.923 41.134 42.059 -0.003 0.000 0.890 465 L HN 0.362 nan 8.230 nan 0.000 0.432 466 S N -0.832 114.957 115.700 0.148 0.000 2.356 466 S HA -0.218 4.251 4.470 -0.001 0.000 0.223 466 S C 2.203 176.765 174.600 -0.064 0.000 1.032 466 S CA 1.419 59.645 58.200 0.044 0.000 1.005 466 S CB -0.266 62.830 63.200 -0.174 0.000 0.867 466 S HN 0.552 nan 8.310 nan 0.000 0.449 467 R N 0.272 120.728 120.500 -0.072 0.000 2.096 467 R HA 0.056 4.396 4.340 -0.001 0.000 0.235 467 R C 2.778 179.020 176.300 -0.097 0.000 1.127 467 R CA 1.251 57.306 56.100 -0.075 0.000 0.968 467 R CB -0.196 30.061 30.300 -0.071 0.000 0.861 467 R HN 0.399 nan 8.270 nan 0.000 0.440 468 R N 0.361 120.773 120.500 -0.148 0.000 2.066 468 R HA -0.084 4.255 4.340 -0.001 0.000 0.232 468 R C 2.333 178.370 176.300 -0.439 0.000 1.131 468 R CA 1.305 57.204 56.100 -0.335 0.000 0.955 468 R CB -0.429 29.674 30.300 -0.329 0.000 0.851 468 R HN 0.227 nan 8.270 nan 0.000 0.432 469 I N 0.824 121.288 120.570 -0.177 0.000 2.163 469 I HA -0.312 3.857 4.170 -0.001 0.000 0.243 469 I C 2.635 178.746 176.117 -0.010 0.000 1.085 469 I CA 1.452 62.732 61.300 -0.034 0.000 1.347 469 I CB -0.203 37.658 38.000 -0.231 0.000 1.044 469 I HN 0.176 nan 8.210 nan 0.000 0.408 470 M N -0.698 118.844 119.600 -0.097 0.000 2.149 470 M HA -0.266 4.213 4.480 -0.001 0.000 0.261 470 M C 2.360 178.715 176.300 0.091 0.000 1.064 470 M CA 1.741 57.010 55.300 -0.053 0.000 1.102 470 M CB -0.571 31.987 32.600 -0.071 0.000 1.369 470 M HN 0.293 nan 8.290 nan 0.000 0.408 471 H N -0.717 118.348 119.070 -0.009 0.000 2.436 471 H HA -0.101 4.455 4.556 -0.001 0.000 0.294 471 H C 1.436 176.887 175.328 0.205 0.000 1.048 471 H CA 1.696 57.767 56.048 0.037 0.000 1.353 471 H CB 0.129 29.862 29.762 -0.048 0.000 1.414 471 H HN 0.263 nan 8.280 nan 0.000 0.536 472 Y N -0.829 119.625 120.300 0.258 0.000 2.133 472 Y HA -0.232 4.318 4.550 -0.001 0.000 0.287 472 Y C 2.529 178.589 175.900 0.267 0.000 1.134 472 Y CA 0.958 59.233 58.100 0.293 0.000 1.133 472 Y CB -1.159 37.669 38.460 0.613 0.000 0.987 472 Y HN 0.333 nan 8.280 nan 0.000 0.502 473 W N -0.128 121.281 121.300 0.183 0.000 2.317 473 W HA -0.308 4.351 4.660 -0.001 0.000 0.318 473 W C 2.584 179.094 176.519 -0.015 0.000 1.227 473 W CA 1.543 58.918 57.345 0.050 0.000 1.269 473 W CB -0.567 28.875 29.460 -0.031 0.000 1.155 473 W HN 0.089 nan 8.180 nan 0.000 0.484 474 A N -0.389 122.516 122.820 0.142 0.000 1.968 474 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 474 A C 1.806 179.350 177.584 -0.067 0.000 1.169 474 A CA 2.050 54.081 52.037 -0.011 0.000 0.638 474 A CB -1.078 17.897 19.000 -0.043 0.000 0.812 474 A HN 0.222 nan 8.150 nan 0.000 0.446 475 T N -0.723 113.753 114.554 -0.129 0.000 2.777 475 T HA -0.091 4.259 4.350 -0.001 0.000 0.266 475 T C 1.596 176.260 174.700 -0.060 0.000 1.040 475 T CA 1.453 63.458 62.100 -0.158 0.000 1.141 475 T CB -0.372 68.358 68.868 -0.230 0.000 0.868 475 T HN 0.506 nan 8.240 nan 0.000 0.444 476 F N 2.522 122.363 119.950 -0.183 0.000 2.075 476 F HA 0.004 4.531 4.527 -0.001 0.000 0.297 476 F C 2.496 178.202 175.800 -0.157 0.000 1.113 476 F CA 1.118 58.977 58.000 -0.235 0.000 1.218 476 F CB -0.809 37.983 39.000 -0.347 0.000 0.984 476 F HN 0.137 nan 8.300 nan 0.000 0.472 477 A N 0.234 122.992 122.820 -0.103 0.000 1.948 477 A HA -0.302 4.017 4.320 -0.001 0.000 0.220 477 A C 2.327 179.784 177.584 -0.213 0.000 1.177 477 A CA 2.169 54.087 52.037 -0.199 0.000 0.636 477 A CB -0.953 17.994 19.000 -0.088 0.000 0.815 477 A HN 0.554 nan 8.150 nan 0.000 0.449 478 K N -1.110 119.197 120.400 -0.156 0.000 2.243 478 K HA -0.071 4.249 4.320 -0.001 0.000 0.201 478 K C 1.532 178.050 176.600 -0.137 0.000 1.051 478 K CA 1.695 57.910 56.287 -0.120 0.000 0.970 478 K CB 0.030 32.482 32.500 -0.080 0.000 0.755 478 K HN 0.635 nan 8.250 nan 0.000 0.465 479 T N -5.634 108.810 114.554 -0.183 0.000 2.993 479 T HA 0.249 4.598 4.350 -0.001 0.000 0.260 479 T C 1.068 175.648 174.700 -0.199 0.000 0.939 479 T CA 0.417 62.426 62.100 -0.151 0.000 0.886 479 T CB 0.966 69.784 68.868 -0.083 0.000 1.209 479 T HN 0.212 nan 8.240 nan 0.000 0.518 480 G N 1.542 110.108 108.800 -0.389 0.000 2.144 480 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.218 480 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.218 480 G C -0.243 174.638 174.900 -0.033 0.000 0.988 480 G CA -0.016 44.837 45.100 -0.410 0.000 0.659 480 G HN 0.815 nan 8.290 nan 0.000 0.522 481 N N -0.181 118.478 118.700 -0.070 0.000 2.519 481 N HA 0.383 5.123 4.740 -0.001 0.000 0.291 481 N C -1.512 173.861 175.510 -0.229 0.000 1.107 481 N CA -1.185 51.780 53.050 -0.141 0.000 0.904 481 N CB 2.459 40.941 38.487 -0.008 0.000 1.500 481 N HN -0.065 nan 8.380 nan 0.000 0.510 482 P HA -0.098 nan 4.420 nan 0.000 0.219 482 P C -0.329 176.971 177.300 0.001 0.000 1.146 482 P CA 0.853 63.756 63.100 -0.329 0.000 0.808 482 P CB 0.340 31.511 31.700 -0.880 0.000 0.779 483 N N 1.408 120.085 118.700 -0.037 0.000 2.514 483 N HA 0.085 4.825 4.740 -0.001 0.000 0.277 483 N C 0.096 175.685 175.510 0.131 0.000 1.126 483 N CA 0.007 53.140 53.050 0.138 0.000 0.978 483 N CB 0.877 39.441 38.487 0.128 0.000 1.106 483 N HN 0.135 nan 8.380 nan 0.000 0.461 484 E N 2.604 122.920 120.200 0.193 0.000 2.338 484 E HA 0.165 4.514 4.350 -0.001 0.000 0.272 484 E C -1.523 175.149 176.600 0.121 0.000 1.029 484 E CA -1.260 55.239 56.400 0.165 0.000 0.872 484 E CB 0.448 30.278 29.700 0.217 0.000 1.015 484 E HN 0.368 nan 8.360 nan 0.000 0.417 491 K N 1.455 121.959 120.400 0.173 0.000 2.206 491 K HA 0.346 4.665 4.320 -0.001 0.000 0.264 491 K C -0.811 175.961 176.600 0.287 0.000 0.967 491 K CA -0.435 55.986 56.287 0.222 0.000 0.844 491 K CB 1.035 33.645 32.500 0.183 0.000 1.099 491 K HN 0.480 nan 8.250 nan 0.000 0.441 492 W N 7.083 128.429 121.300 0.077 0.000 2.419 492 W HA 0.174 4.833 4.660 -0.001 0.000 0.312 492 W C -2.309 174.334 176.519 0.206 0.000 1.323 492 W CA -2.295 55.100 57.345 0.082 0.000 1.293 492 W CB 0.097 29.503 29.460 -0.091 0.000 1.324 492 W HN 0.372 nan 8.180 nan 0.000 0.512 493 P HA 0.071 nan 4.420 nan 0.000 0.278 493 P C -0.389 177.096 177.300 0.308 0.000 1.238 493 P CA -0.517 62.799 63.100 0.361 0.000 0.794 493 P CB 1.737 33.575 31.700 0.229 0.000 0.955 494 L N 2.971 124.246 121.223 0.088 0.000 2.499 494 L HA 0.093 4.433 4.340 -0.001 0.000 0.281 494 L C 0.356 177.224 176.870 -0.003 0.000 1.234 494 L CA 0.217 54.918 54.840 -0.232 0.000 0.839 494 L CB -0.671 41.269 42.059 -0.198 0.000 1.104 494 L HN 0.299 nan 8.230 nan 0.000 0.500 495 F N 2.992 122.843 119.950 -0.166 0.000 2.391 495 F HA 0.484 5.010 4.527 -0.001 0.000 0.359 495 F C 0.275 176.059 175.800 -0.026 0.000 1.122 495 F CA -0.515 57.485 58.000 0.001 0.000 1.120 495 F CB 0.651 39.683 39.000 0.053 0.000 1.142 495 F HN 0.580 nan 8.300 nan 0.000 0.483 496 T N 1.076 115.389 114.554 -0.401 0.000 2.945 496 T HA 0.291 4.641 4.350 -0.001 0.000 0.286 496 T C 0.992 175.436 174.700 -0.428 0.000 1.025 496 T CA -0.185 61.759 62.100 -0.260 0.000 1.039 496 T CB 1.451 70.221 68.868 -0.163 0.000 1.068 496 T HN 0.577 nan 8.240 nan 0.000 0.497 497 T N 0.247 114.707 114.554 -0.158 0.000 2.833 497 T HA -0.014 4.335 4.350 -0.001 0.000 0.269 497 T C 2.399 177.016 174.700 -0.140 0.000 1.054 497 T CA 1.739 63.780 62.100 -0.098 0.000 1.135 497 T CB -0.698 68.151 68.868 -0.032 0.000 0.869 497 T HN 0.868 nan 8.240 nan 0.000 0.466 498 K N 1.922 122.239 120.400 -0.139 0.000 1.995 498 K HA 0.076 4.396 4.320 -0.001 0.000 0.207 498 K C 1.998 178.523 176.600 -0.124 0.000 1.041 498 K CA 1.263 57.487 56.287 -0.104 0.000 0.942 498 K CB -0.974 31.480 32.500 -0.076 0.000 0.731 498 K HN 0.564 nan 8.250 nan 0.000 0.439 499 E N 0.481 120.590 120.200 -0.152 0.000 2.481 499 E HA -0.021 4.329 4.350 -0.001 0.000 0.195 499 E C -0.117 176.375 176.600 -0.180 0.000 1.047 499 E CA -0.042 56.280 56.400 -0.131 0.000 0.867 499 E CB 0.192 29.837 29.700 -0.092 0.000 0.858 499 E HN 0.483 nan 8.360 nan 0.000 0.513 500 Q N 0.927 120.492 119.800 -0.392 0.000 2.346 500 Q HA -0.244 4.095 4.340 -0.001 0.000 0.302 500 Q C -0.613 175.321 176.000 -0.110 0.000 1.196 500 Q CA 0.742 56.195 55.803 -0.583 0.000 0.929 500 Q CB -1.275 27.338 28.738 -0.208 0.000 1.245 500 Q HN 0.290 nan 8.270 nan 0.000 0.502 501 K N 0.419 120.785 120.400 -0.058 0.000 2.319 501 K HA 0.391 4.711 4.320 -0.001 0.000 0.265 501 K C 0.030 176.906 176.600 0.459 0.000 1.000 501 K CA 0.361 56.727 56.287 0.131 0.000 0.943 501 K CB 0.333 32.875 32.500 0.071 0.000 0.950 501 K HN 0.190 nan 8.250 nan 0.000 0.485 502 F N -0.501 119.633 119.950 0.307 0.000 2.713 502 F HA 0.534 5.060 4.527 -0.001 0.000 0.311 502 F C -1.026 174.920 175.800 0.243 0.000 1.141 502 F CA -1.489 56.738 58.000 0.378 0.000 0.939 502 F CB 0.622 39.853 39.000 0.385 0.000 1.325 502 F HN 0.418 nan 8.300 nan 0.000 0.453 503 I N -0.962 119.812 120.570 0.339 0.000 3.100 503 I HA 0.699 4.869 4.170 -0.001 0.000 0.312 503 I C -1.092 175.238 176.117 0.355 0.000 1.063 503 I CA -0.872 60.472 61.300 0.075 0.000 1.031 503 I CB 1.742 39.526 38.000 -0.360 0.000 1.243 503 I HN 0.426 nan 8.210 nan 0.000 0.483 504 D N 2.493 123.048 120.400 0.259 0.000 2.193 504 D HA 0.505 5.145 4.640 -0.001 0.000 0.244 504 D C -1.070 175.330 176.300 0.166 0.000 1.064 504 D CA -0.049 54.153 54.000 0.336 0.000 0.845 504 D CB 2.187 43.175 40.800 0.313 0.000 1.148 504 D HN 0.210 nan 8.370 nan 0.000 0.464 505 L N 3.882 125.209 121.223 0.174 0.000 2.276 505 L HA 0.373 4.712 4.340 -0.001 0.000 0.286 505 L C -0.170 176.625 176.870 -0.126 0.000 1.024 505 L CA -0.344 54.542 54.840 0.077 0.000 0.826 505 L CB 0.109 42.296 42.059 0.214 0.000 1.211 505 L HN 0.513 nan 8.230 nan 0.000 0.422 506 N N -0.221 118.398 118.700 -0.136 0.000 3.427 506 N HA 0.187 4.927 4.740 -0.001 0.000 0.313 506 N C 0.344 175.728 175.510 -0.210 0.000 1.491 506 N CA -0.022 52.879 53.050 -0.249 0.000 0.870 506 N CB 0.200 38.617 38.487 -0.118 0.000 1.763 506 N HN 0.120 nan 8.380 nan 0.000 0.502 507 T N -3.876 110.531 114.554 -0.245 0.000 3.043 507 T HA 0.122 4.472 4.350 -0.001 0.000 0.263 507 T C 0.497 175.166 174.700 -0.052 0.000 1.094 507 T CA 0.558 62.555 62.100 -0.172 0.000 1.127 507 T CB -0.340 68.406 68.868 -0.203 0.000 0.905 507 T HN 0.430 nan 8.240 nan 0.000 0.490 508 E N 2.250 122.443 120.200 -0.012 0.000 2.428 508 E HA 0.268 4.617 4.350 -0.001 0.000 0.257 508 E C -2.569 174.041 176.600 0.016 0.000 1.197 508 E CA -1.309 55.100 56.400 0.016 0.000 0.974 508 E CB -0.200 29.524 29.700 0.039 0.000 0.976 508 E HN 0.430 nan 8.360 nan 0.000 0.463 509 P HA 0.123 nan 4.420 nan 0.000 0.280 509 P C 0.060 177.381 177.300 0.035 0.000 1.244 509 P CA -0.093 63.023 63.100 0.028 0.000 0.784 509 P CB 0.360 32.075 31.700 0.025 0.000 0.913 510 M N 3.598 123.226 119.600 0.047 0.000 2.209 510 M HA -0.095 4.385 4.480 -0.001 0.000 0.361 510 M C -0.689 175.617 176.300 0.009 0.000 1.211 510 M CA 1.379 56.706 55.300 0.045 0.000 0.899 510 M CB -0.108 32.535 32.600 0.072 0.000 1.817 510 M HN 0.291 nan 8.290 nan 0.000 0.476 511 K N 3.909 124.297 120.400 -0.019 0.000 2.501 511 K HA 0.541 4.861 4.320 -0.001 0.000 0.252 511 K C -1.440 174.995 176.600 -0.275 0.000 0.934 511 K CA -0.982 55.224 56.287 -0.136 0.000 0.797 511 K CB 2.499 34.920 32.500 -0.131 0.000 1.270 511 K HN 0.481 nan 8.250 nan 0.000 0.431 512 V N 3.320 123.023 119.914 -0.351 0.000 2.644 512 V HA 0.328 4.448 4.120 -0.001 0.000 0.295 512 V C 0.128 175.776 176.094 -0.744 0.000 1.053 512 V CA -0.306 61.768 62.300 -0.377 0.000 0.987 512 V CB 0.986 32.701 31.823 -0.180 0.000 1.006 512 V HN 0.714 nan 8.190 nan 0.000 0.472 513 H N 2.058 120.798 119.070 -0.550 0.000 3.048 513 H HA 0.624 5.179 4.556 -0.001 0.000 0.296 513 H C -1.181 173.822 175.328 -0.542 0.000 1.508 513 H CA -0.806 54.858 56.048 -0.640 0.000 1.250 513 H CB 2.146 31.278 29.762 -1.051 0.000 1.896 513 H HN 0.545 nan 8.280 nan 0.000 0.604 514 Q N 0.440 120.153 119.800 -0.146 0.000 2.416 514 Q HA 0.322 4.661 4.340 -0.001 0.000 0.281 514 Q C -0.714 175.460 176.000 0.289 0.000 1.067 514 Q CA -0.887 54.957 55.803 0.069 0.000 0.809 514 Q CB 3.107 31.862 28.738 0.028 0.000 1.418 514 Q HN 0.499 nan 8.270 nan 0.000 0.411 515 R N 0.933 121.631 120.500 0.329 0.000 2.939 515 R HA -0.206 4.134 4.340 -0.001 0.000 0.255 515 R C -0.101 176.407 176.300 0.348 0.000 0.882 515 R CA -0.134 56.149 56.100 0.305 0.000 0.658 515 R CB -1.320 29.084 30.300 0.174 0.000 1.447 515 R HN 0.420 nan 8.270 nan 0.000 0.506 516 L N 2.823 124.273 121.223 0.379 0.000 2.700 516 L HA -0.059 4.281 4.340 -0.001 0.000 0.276 516 L C 0.862 177.774 176.870 0.070 0.000 1.200 516 L CA 0.764 55.624 54.840 0.033 0.000 0.951 516 L CB -0.497 41.267 42.059 -0.492 0.000 1.226 516 L HN 0.563 nan 8.230 nan 0.000 0.489 517 R N 2.343 122.882 120.500 0.065 0.000 3.358 517 R HA -0.204 4.135 4.340 -0.001 0.000 0.248 517 R C 1.342 177.734 176.300 0.153 0.000 0.981 517 R CA 0.608 56.774 56.100 0.110 0.000 0.662 517 R CB -1.974 28.411 30.300 0.142 0.000 1.037 517 R HN 0.761 nan 8.270 nan 0.000 0.460 518 V N -2.538 117.464 119.914 0.147 0.000 2.252 518 V HA -0.382 3.738 4.120 -0.001 0.000 0.249 518 V C 2.365 178.547 176.094 0.146 0.000 1.056 518 V CA 2.238 64.630 62.300 0.153 0.000 1.022 518 V CB -0.601 31.302 31.823 0.134 0.000 0.641 518 V HN 0.383 nan 8.190 nan 0.000 0.445 519 Q N 0.112 119.977 119.800 0.109 0.000 2.029 519 Q HA -0.241 4.098 4.340 -0.001 0.000 0.209 519 Q C 2.137 178.206 176.000 0.115 0.000 0.999 519 Q CA 2.638 58.488 55.803 0.077 0.000 0.857 519 Q CB -0.499 28.253 28.738 0.025 0.000 0.926 519 Q HN 0.567 nan 8.270 nan 0.000 0.415 520 M N -0.995 118.692 119.600 0.146 0.000 2.175 520 M HA -0.120 4.359 4.480 -0.001 0.000 0.264 520 M C 2.422 178.995 176.300 0.455 0.000 1.063 520 M CA 0.973 56.426 55.300 0.255 0.000 1.119 520 M CB -1.245 31.559 32.600 0.341 0.000 1.377 520 M HN 0.367 nan 8.290 nan 0.000 0.415 521 c N -0.518 118.313 118.600 0.385 0.000 2.446 521 c HA -0.007 4.562 4.570 -0.001 0.000 0.279 521 c C 2.921 177.197 174.090 0.311 0.000 1.366 521 c CA 0.193 56.760 56.329 0.397 0.000 1.763 521 c CB -0.765 41.922 42.510 0.295 0.000 1.929 521 c HN 0.314 nan 8.230 nan 0.000 0.509 522 V N 0.579 120.639 119.914 0.244 0.000 2.515 522 V HA -0.190 3.929 4.120 -0.001 0.000 0.250 522 V C 1.993 178.215 176.094 0.213 0.000 1.058 522 V CA 1.961 64.378 62.300 0.195 0.000 1.064 522 V CB -0.745 31.169 31.823 0.152 0.000 0.675 522 V HN 0.585 nan 8.190 nan 0.000 0.461 523 F N -0.116 119.887 119.950 0.088 0.000 2.084 523 F HA -0.152 4.374 4.527 -0.001 0.000 0.296 523 F C 2.010 177.839 175.800 0.048 0.000 1.111 523 F CA 1.603 59.620 58.000 0.028 0.000 1.224 523 F CB -0.441 38.445 39.000 -0.190 0.000 0.991 523 F HN 0.148 nan 8.300 nan 0.000 0.471 524 W N 0.867 122.255 121.300 0.148 0.000 2.381 524 W HA -0.169 4.490 4.660 -0.001 0.000 0.301 524 W C 2.382 178.885 176.519 -0.026 0.000 1.205 524 W CA 1.010 58.382 57.345 0.045 0.000 1.285 524 W CB -0.541 29.073 29.460 0.256 0.000 1.133 524 W HN -0.003 nan 8.180 nan 0.000 0.521 525 N N -0.104 118.736 118.700 0.234 0.000 2.132 525 N HA -0.103 4.637 4.740 -0.001 0.000 0.187 525 N C 1.587 177.094 175.510 -0.005 0.000 1.038 525 N CA 1.526 54.616 53.050 0.067 0.000 0.846 525 N CB -0.749 37.780 38.487 0.070 0.000 1.012 525 N HN 0.338 nan 8.380 nan 0.000 0.429 526 Q N -0.629 119.195 119.800 0.039 0.000 2.159 526 Q HA 0.119 4.459 4.340 -0.001 0.000 0.194 526 Q C 1.726 177.721 176.000 -0.009 0.000 0.968 526 Q CA 0.325 56.143 55.803 0.026 0.000 0.837 526 Q CB -0.230 28.557 28.738 0.081 0.000 0.920 526 Q HN 0.162 nan 8.270 nan 0.000 0.485 527 F N 1.905 121.786 119.950 -0.114 0.000 2.026 527 F HA -0.247 4.279 4.527 -0.001 0.000 0.296 527 F C 2.011 177.655 175.800 -0.260 0.000 1.133 527 F CA 1.173 59.078 58.000 -0.159 0.000 1.188 527 F CB -0.541 38.387 39.000 -0.120 0.000 0.968 527 F HN 0.058 nan 8.300 nan 0.000 0.476 528 L N 1.048 121.862 121.223 -0.682 0.000 2.021 528 L HA -0.160 4.180 4.340 -0.001 0.000 0.215 528 L C -0.793 175.821 176.870 -0.426 0.000 1.074 528 L CA 2.371 56.782 54.840 -0.716 0.000 0.760 528 L CB -2.057 39.543 42.059 -0.765 0.000 0.889 528 L HN 0.038 nan 8.230 nan 0.000 0.433 529 P HA -0.227 nan 4.420 nan 0.000 0.214 529 P C 1.599 178.788 177.300 -0.185 0.000 1.163 529 P CA 1.745 64.757 63.100 -0.147 0.000 0.889 529 P CB -0.101 31.540 31.700 -0.097 0.000 0.790 530 K N -0.540 119.723 120.400 -0.230 0.000 2.074 530 K HA -0.212 4.108 4.320 -0.001 0.000 0.209 530 K C 1.921 178.367 176.600 -0.256 0.000 1.048 530 K CA 1.533 57.695 56.287 -0.208 0.000 0.926 530 K CB -0.798 31.583 32.500 -0.198 0.000 0.713 530 K HN -0.031 nan 8.250 nan 0.000 0.444 531 L N 1.232 122.195 121.223 -0.435 0.000 2.027 531 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 531 L C 1.809 178.558 176.870 -0.200 0.000 1.074 531 L CA 1.587 56.203 54.840 -0.373 0.000 0.745 531 L CB -0.755 40.948 42.059 -0.592 0.000 0.898 531 L HN 0.233 nan 8.230 nan 0.000 0.433 532 L N 0.087 121.206 121.223 -0.173 0.000 2.046 532 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 532 L C 2.513 179.348 176.870 -0.058 0.000 1.077 532 L CA 1.929 56.721 54.840 -0.080 0.000 0.747 532 L CB -0.790 41.252 42.059 -0.027 0.000 0.896 532 L HN 0.601 nan 8.230 nan 0.000 0.432 533 N N 0.473 119.131 118.700 -0.070 0.000 2.058 533 N HA -0.179 4.561 4.740 -0.001 0.000 0.191 533 N C 1.603 177.083 175.510 -0.050 0.000 1.037 533 N CA 1.116 54.135 53.050 -0.051 0.000 0.848 533 N CB -0.076 38.377 38.487 -0.056 0.000 1.021 533 N HN 0.262 nan 8.380 nan 0.000 0.422 534 A N 0.005 122.784 122.820 -0.068 0.000 2.247 534 A HA 0.091 4.411 4.320 -0.001 0.000 0.205 534 A C 0.403 177.963 177.584 -0.039 0.000 1.261 534 A CA 0.932 52.938 52.037 -0.051 0.000 0.853 534 A CB -0.847 18.116 19.000 -0.060 0.000 0.793 534 A HN 0.633 nan 8.150 nan 0.000 0.487 535 T N 0.000 114.532 114.554 -0.036 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 535 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658