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 2wfz_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 EPHSQESKWP 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 0.000 174.653 174.600 0.088 0.000 1.055 4 S CA 0.000 58.235 58.200 0.058 0.000 1.107 4 S CB 0.000 63.235 63.200 0.058 0.000 0.593 5 E N 3.069 123.325 120.200 0.094 0.000 2.209 5 E HA -0.062 4.287 4.350 -0.001 0.000 0.196 5 E C 1.133 177.867 176.600 0.223 0.000 0.993 5 E CA 1.231 57.715 56.400 0.139 0.000 0.819 5 E CB -0.004 29.764 29.700 0.113 0.000 0.745 5 E HN 0.762 nan 8.360 nan 0.000 0.477 6 L N 0.637 121.962 121.223 0.169 0.000 2.592 6 L HA 0.124 4.464 4.340 -0.001 0.000 0.227 6 L C 0.338 177.418 176.870 0.350 0.000 1.127 6 L CA -0.349 54.600 54.840 0.183 0.000 0.884 6 L CB 0.331 42.396 42.059 0.009 0.000 1.065 6 L HN 0.111 nan 8.230 nan 0.000 0.457 7 L N 0.713 122.094 121.223 0.263 0.000 2.287 7 L HA 0.518 4.857 4.340 -0.001 0.000 0.287 7 L C -0.665 176.288 176.870 0.139 0.000 1.022 7 L CA -0.200 54.772 54.840 0.221 0.000 0.814 7 L CB 1.541 43.676 42.059 0.127 0.000 1.217 7 L HN -0.324 nan 8.230 nan 0.000 0.420 8 V N 4.736 124.695 119.914 0.076 0.000 2.588 8 V HA 0.462 4.582 4.120 -0.001 0.000 0.304 8 V C -0.468 175.523 176.094 -0.172 0.000 1.042 8 V CA -0.808 61.373 62.300 -0.199 0.000 0.877 8 V CB 1.896 33.295 31.823 -0.707 0.000 0.996 8 V HN 0.783 nan 8.190 nan 0.000 0.425 9 N N 2.911 121.460 118.700 -0.252 0.000 2.434 9 N HA 0.572 5.312 4.740 -0.001 0.000 0.272 9 N C -0.167 175.002 175.510 -0.568 0.000 1.040 9 N CA 0.000 52.866 53.050 -0.307 0.000 0.956 9 N CB 1.543 39.850 38.487 -0.299 0.000 1.108 9 N HN 0.926 nan 8.380 nan 0.000 0.481 10 T N -0.370 113.936 114.554 -0.413 0.000 2.910 10 T HA 0.398 4.748 4.350 -0.001 0.000 0.287 10 T C 0.906 175.352 174.700 -0.423 0.000 1.050 10 T CA -0.656 61.186 62.100 -0.430 0.000 1.011 10 T CB 1.129 70.013 68.868 0.028 0.000 1.195 10 T HN 0.380 nan 8.240 nan 0.000 0.540 11 K N 0.302 120.514 120.400 -0.314 0.000 2.360 11 K HA 0.022 4.342 4.320 -0.001 0.000 0.201 11 K C 1.821 178.282 176.600 -0.231 0.000 1.046 11 K CA 0.969 57.119 56.287 -0.228 0.000 0.945 11 K CB -0.081 32.345 32.500 -0.124 0.000 0.750 11 K HN 0.437 nan 8.250 nan 0.000 0.464 12 S N -0.342 115.207 115.700 -0.252 0.000 2.535 12 S HA 0.205 4.675 4.470 -0.001 0.000 0.214 12 S C 0.455 174.356 174.600 -1.165 0.000 0.980 12 S CA 0.230 58.148 58.200 -0.471 0.000 0.907 12 S CB 0.965 64.071 63.200 -0.157 0.000 0.790 12 S HN 0.554 nan 8.310 nan 0.000 0.510 13 G N 1.356 109.674 108.800 -0.803 0.000 2.353 13 G HA2 0.040 4.000 3.960 -0.001 0.000 0.424 13 G HA3 0.040 4.000 3.960 -0.001 0.000 0.424 13 G C -1.722 173.081 174.900 -0.162 0.000 1.320 13 G CA -1.205 43.421 45.100 -0.790 0.000 0.995 13 G HN 0.137 nan 8.290 nan 0.000 0.580 14 K N -0.449 120.037 120.400 0.144 0.000 2.218 14 K HA 0.596 4.915 4.320 -0.001 0.000 0.276 14 K C 0.293 177.248 176.600 0.591 0.000 1.022 14 K CA -0.389 56.065 56.287 0.279 0.000 0.946 14 K CB 1.943 34.562 32.500 0.197 0.000 1.000 14 K HN 1.207 nan 8.250 nan 0.000 0.468 15 V N -0.233 119.960 119.914 0.466 0.000 2.735 15 V HA 0.565 4.684 4.120 -0.001 0.000 0.310 15 V C -0.749 175.632 176.094 0.478 0.000 1.061 15 V CA -1.096 61.535 62.300 0.551 0.000 0.913 15 V CB 1.746 33.944 31.823 0.626 0.000 1.005 15 V HN 0.869 nan 8.190 nan 0.000 0.428 16 M N 4.348 124.200 119.600 0.422 0.000 2.167 16 M HA 0.778 5.257 4.480 -0.001 0.000 0.333 16 M C 0.352 176.798 176.300 0.244 0.000 1.030 16 M CA -0.060 55.432 55.300 0.321 0.000 0.963 16 M CB 1.216 33.919 32.600 0.172 0.000 1.589 16 M HN 1.103 nan 8.290 nan 0.000 0.431 17 G N 1.719 110.560 108.800 0.068 0.000 2.574 17 G HA2 0.584 4.543 3.960 -0.001 0.000 0.248 17 G HA3 0.584 4.543 3.960 -0.001 0.000 0.248 17 G C -1.097 173.608 174.900 -0.326 0.000 1.422 17 G CA -0.357 44.467 45.100 -0.460 0.000 1.051 17 G HN 0.597 nan 8.290 nan 0.000 0.560 18 T N -1.348 112.961 114.554 -0.408 0.000 2.916 18 T HA 0.502 4.851 4.350 -0.001 0.000 0.305 18 T C -0.793 173.788 174.700 -0.198 0.000 1.119 18 T CA -0.658 61.305 62.100 -0.229 0.000 1.008 18 T CB 1.500 70.261 68.868 -0.179 0.000 1.129 18 T HN 0.530 nan 8.240 nan 0.000 0.480 19 R N 2.844 123.280 120.500 -0.107 0.000 2.234 19 R HA 0.600 4.939 4.340 -0.001 0.000 0.324 19 R C -0.391 175.924 176.300 0.024 0.000 1.054 19 R CA -0.466 55.612 56.100 -0.036 0.000 0.912 19 R CB 0.311 30.585 30.300 -0.043 0.000 1.030 19 R HN 0.514 nan 8.270 nan 0.000 0.455 20 V N 3.055 123.004 119.914 0.060 0.000 2.555 20 V HA 0.669 4.788 4.120 -0.001 0.000 0.302 20 V C -2.454 173.657 176.094 0.029 0.000 1.038 20 V CA -2.751 59.577 62.300 0.047 0.000 0.887 20 V CB 1.554 33.389 31.823 0.020 0.000 0.991 20 V HN 0.740 nan 8.190 nan 0.000 0.434 21 P HA 0.339 nan 4.420 nan 0.000 0.275 21 P C -0.781 176.328 177.300 -0.318 0.000 1.227 21 P CA -0.004 62.863 63.100 -0.388 0.000 0.781 21 P CB 1.832 33.356 31.700 -0.294 0.000 0.906 22 V N 5.705 125.361 119.914 -0.430 0.000 2.653 22 V HA 0.164 4.283 4.120 -0.001 0.000 0.298 22 V C 0.017 175.835 176.094 -0.460 0.000 1.097 22 V CA -0.793 61.273 62.300 -0.391 0.000 0.908 22 V CB 0.624 32.183 31.823 -0.439 0.000 1.024 22 V HN 0.495 nan 8.190 nan 0.000 0.435 23 L N 5.840 126.936 121.223 -0.211 0.000 3.762 23 L HA -0.236 4.104 4.340 -0.001 0.000 0.460 23 L C 1.036 177.799 176.870 -0.177 0.000 1.255 23 L CA 0.981 55.736 54.840 -0.143 0.000 0.783 23 L CB -1.890 40.138 42.059 -0.052 0.000 1.600 23 L HN 1.086 nan 8.230 nan 0.000 0.862 24 S N -2.879 112.711 115.700 -0.183 0.000 3.084 24 S HA -0.212 4.258 4.470 -0.001 0.000 0.277 24 S C 0.454 174.958 174.600 -0.159 0.000 1.295 24 S CA 1.466 59.585 58.200 -0.135 0.000 1.170 24 S CB -0.590 62.582 63.200 -0.047 0.000 1.412 24 S HN 0.834 nan 8.310 nan 0.000 0.669 25 S N -0.996 114.510 115.700 -0.323 0.000 2.971 25 S HA 0.862 5.332 4.470 -0.001 0.000 0.320 25 S C -1.217 173.095 174.600 -0.480 0.000 1.111 25 S CA -0.527 57.525 58.200 -0.248 0.000 0.870 25 S CB 1.095 64.194 63.200 -0.167 0.000 1.331 25 S HN 0.458 nan 8.310 nan 0.000 0.635 26 H N -0.524 118.474 119.070 -0.120 0.000 3.016 26 H HA 0.724 5.279 4.556 -0.001 0.000 0.362 26 H C -0.583 174.754 175.328 0.015 0.000 1.233 26 H CA -0.345 55.662 56.048 -0.068 0.000 1.124 26 H CB 1.460 31.207 29.762 -0.024 0.000 1.850 26 H HN 0.716 nan 8.280 nan 0.000 0.549 27 I N -2.345 118.323 120.570 0.163 0.000 3.354 27 I HA 0.718 4.887 4.170 -0.001 0.000 0.316 27 I C -1.087 175.115 176.117 0.141 0.000 1.182 27 I CA -1.019 60.395 61.300 0.191 0.000 0.942 27 I CB 2.479 40.627 38.000 0.247 0.000 1.299 27 I HN 0.395 nan 8.210 nan 0.000 0.473 28 S N 1.343 117.129 115.700 0.144 0.000 2.541 28 S HA 0.831 5.300 4.470 -0.001 0.000 0.283 28 S C -0.301 174.265 174.600 -0.056 0.000 1.196 28 S CA -0.540 57.658 58.200 -0.004 0.000 1.062 28 S CB 1.499 64.731 63.200 0.053 0.000 1.009 28 S HN 0.863 nan 8.310 nan 0.000 0.502 29 A N 2.232 124.844 122.820 -0.347 0.000 2.356 29 A HA 0.796 5.116 4.320 -0.001 0.000 0.310 29 A C -1.340 175.859 177.584 -0.641 0.000 1.075 29 A CA -0.646 51.115 52.037 -0.459 0.000 0.746 29 A CB 0.486 19.218 19.000 -0.447 0.000 1.221 29 A HN 0.656 nan 8.150 nan 0.000 0.443 30 F N 2.595 122.404 119.950 -0.236 0.000 2.382 30 F HA 0.513 5.040 4.527 -0.001 0.000 0.361 30 F C -0.193 175.481 175.800 -0.209 0.000 1.109 30 F CA -0.365 57.577 58.000 -0.097 0.000 1.031 30 F CB 1.405 40.448 39.000 0.072 0.000 1.234 30 F HN 0.343 nan 8.300 nan 0.000 0.445 31 L N 2.286 123.474 121.223 -0.058 0.000 2.334 31 L HA 0.702 5.041 4.340 -0.001 0.000 0.276 31 L C 0.869 177.776 176.870 0.061 0.000 1.014 31 L CA -1.056 53.733 54.840 -0.085 0.000 0.815 31 L CB 1.753 43.676 42.059 -0.227 0.000 1.268 31 L HN 0.838 nan 8.230 nan 0.000 0.428 32 G N 3.116 111.980 108.800 0.106 0.000 2.272 32 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.280 32 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.280 32 G C -0.120 174.895 174.900 0.191 0.000 1.067 32 G CA -0.266 44.902 45.100 0.112 0.000 0.902 32 G HN 0.482 nan 8.290 nan 0.000 0.500 33 I N 2.009 122.607 120.570 0.046 0.000 2.471 33 I HA 0.239 4.408 4.170 -0.001 0.000 0.286 33 I C -1.382 174.539 176.117 -0.327 0.000 1.079 33 I CA -2.122 59.009 61.300 -0.282 0.000 1.398 33 I CB 1.059 38.866 38.000 -0.322 0.000 1.403 33 I HN -0.006 nan 8.210 nan 0.000 0.530 34 P HA 0.072 nan 4.420 nan 0.000 0.280 34 P C -0.310 176.617 177.300 -0.620 0.000 1.244 34 P CA -0.032 62.572 63.100 -0.827 0.000 0.784 34 P CB 0.658 31.804 31.700 -0.924 0.000 0.913 35 F N 0.561 120.177 119.950 -0.556 0.000 2.767 35 F HA 0.719 5.245 4.527 -0.001 0.000 0.323 35 F C 0.059 175.756 175.800 -0.172 0.000 1.091 35 F CA -0.761 56.990 58.000 -0.415 0.000 1.192 35 F CB 0.037 38.792 39.000 -0.408 0.000 1.056 35 F HN 0.335 nan 8.300 nan 0.000 0.571 36 A N 0.167 122.669 122.820 -0.530 0.000 2.566 36 A HA 0.620 4.940 4.320 -0.001 0.000 0.292 36 A C -0.752 176.654 177.584 -0.296 0.000 1.112 36 A CA -0.764 51.103 52.037 -0.285 0.000 0.707 36 A CB 1.012 19.836 19.000 -0.292 0.000 1.302 36 A HN 0.058 nan 8.150 nan 0.000 0.409 37 E N 0.935 121.048 120.200 -0.144 0.000 2.392 37 E HA 0.222 4.572 4.350 -0.001 0.000 0.264 37 E C -2.304 174.202 176.600 -0.156 0.000 1.024 37 E CA -1.328 55.005 56.400 -0.111 0.000 0.903 37 E CB -0.044 29.633 29.700 -0.039 0.000 0.963 37 E HN 0.226 nan 8.360 nan 0.000 0.432 38 P HA -0.011 nan 4.420 nan 0.000 0.258 38 P C -2.226 175.022 177.300 -0.088 0.000 1.187 38 P CA -0.589 62.444 63.100 -0.112 0.000 0.767 38 P CB -0.056 31.616 31.700 -0.046 0.000 0.770 39 P HA 0.023 nan 4.420 nan 0.000 0.220 39 P C -0.371 176.880 177.300 -0.082 0.000 1.806 39 P CA 0.046 63.099 63.100 -0.079 0.000 0.976 39 P CB -0.052 31.602 31.700 -0.077 0.000 1.952 40 V N -2.437 117.436 119.914 -0.068 0.000 2.881 40 V HA 0.913 5.032 4.120 -0.001 0.000 0.316 40 V C 0.858 176.917 176.094 -0.058 0.000 1.070 40 V CA 0.165 62.425 62.300 -0.067 0.000 0.976 40 V CB 0.959 32.752 31.823 -0.051 0.000 1.038 40 V HN 0.568 nan 8.190 nan 0.000 0.446 41 G N 3.671 112.435 108.800 -0.061 0.000 2.565 41 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.295 41 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.295 41 G C 0.562 175.432 174.900 -0.051 0.000 1.165 41 G CA 1.005 46.077 45.100 -0.046 0.000 0.977 41 G HN 1.967 nan 8.290 nan 0.000 0.546 42 N N 0.799 119.487 118.700 -0.020 0.000 2.550 42 N HA 0.080 4.819 4.740 -0.001 0.000 0.186 42 N C 1.816 177.323 175.510 -0.006 0.000 1.110 42 N CA 1.858 54.908 53.050 0.000 0.000 0.912 42 N CB -0.170 38.333 38.487 0.027 0.000 0.968 42 N HN 0.469 nan 8.380 nan 0.000 0.448 43 M N -0.086 119.496 119.600 -0.029 0.000 2.556 43 M HA 0.106 4.585 4.480 -0.001 0.000 0.245 43 M C 0.655 176.911 176.300 -0.074 0.000 1.128 43 M CA -0.015 55.266 55.300 -0.032 0.000 1.069 43 M CB -0.647 31.935 32.600 -0.031 0.000 1.469 43 M HN 0.204 nan 8.290 nan 0.000 0.494 44 R N 0.557 120.964 120.500 -0.156 0.000 2.538 44 R HA -0.036 4.303 4.340 -0.001 0.000 0.282 44 R C -0.265 175.807 176.300 -0.379 0.000 1.009 44 R CA 0.561 56.433 56.100 -0.380 0.000 1.063 44 R CB 0.107 30.042 30.300 -0.609 0.000 0.945 44 R HN 0.222 nan 8.270 nan 0.000 0.414 45 F N -0.495 119.449 119.950 -0.010 0.000 2.502 45 F HA -0.293 4.234 4.527 -0.001 0.000 0.480 45 F C 0.485 176.262 175.800 -0.037 0.000 0.543 45 F CA 0.820 58.791 58.000 -0.049 0.000 1.350 45 F CB -1.368 37.588 39.000 -0.074 0.000 1.999 45 F HN 0.614 nan 8.300 nan 0.000 0.267 46 R N 1.690 122.253 120.500 0.105 0.000 2.582 46 R HA 0.464 4.804 4.340 -0.001 0.000 0.271 46 R C 0.640 176.965 176.300 0.041 0.000 1.078 46 R CA -0.839 55.301 56.100 0.067 0.000 1.127 46 R CB 0.490 30.815 30.300 0.041 0.000 1.038 46 R HN 0.135 nan 8.270 nan 0.000 0.500 47 R N 2.367 122.892 120.500 0.041 0.000 2.638 47 R HA -0.009 4.331 4.340 -0.001 0.000 0.268 47 R C -1.904 174.418 176.300 0.036 0.000 1.006 47 R CA -0.791 55.332 56.100 0.040 0.000 1.088 47 R CB -0.246 30.084 30.300 0.049 0.000 0.950 47 R HN 0.396 nan 8.270 nan 0.000 0.419 48 P HA 0.018 nan 4.420 nan 0.000 0.272 48 P C -0.825 176.503 177.300 0.047 0.000 1.223 48 P CA 0.179 63.303 63.100 0.040 0.000 0.784 48 P CB 0.777 32.525 31.700 0.081 0.000 0.923 49 E N 2.107 122.323 120.200 0.027 0.000 2.195 49 E HA 0.404 4.754 4.350 -0.001 0.000 0.271 49 E C -2.305 174.323 176.600 0.047 0.000 0.923 49 E CA -2.491 53.932 56.400 0.038 0.000 0.790 49 E CB 0.460 30.175 29.700 0.026 0.000 1.155 49 E HN 0.297 nan 8.360 nan 0.000 0.402 50 P HA -0.038 nan 4.420 nan 0.000 0.265 50 P C -0.225 177.125 177.300 0.083 0.000 1.187 50 P CA -0.082 63.083 63.100 0.108 0.000 0.766 50 P CB 0.409 32.177 31.700 0.113 0.000 0.820 51 K N 3.452 123.909 120.400 0.096 0.000 2.416 51 K HA 0.043 4.363 4.320 -0.001 0.000 0.283 51 K C -0.193 176.488 176.600 0.135 0.000 1.037 51 K CA 0.311 56.647 56.287 0.081 0.000 0.995 51 K CB -0.056 32.486 32.500 0.069 0.000 0.938 51 K HN 0.217 nan 8.250 nan 0.000 0.475 52 K N 6.117 126.593 120.400 0.126 0.000 2.412 52 K HA 0.117 4.436 4.320 -0.001 0.000 0.281 52 K C -2.162 174.542 176.600 0.174 0.000 1.027 52 K CA -1.570 54.791 56.287 0.124 0.000 0.989 52 K CB 0.244 32.811 32.500 0.112 0.000 0.935 52 K HN 0.531 nan 8.250 nan 0.000 0.475 53 P HA -0.068 nan 4.420 nan 0.000 0.267 53 P C -1.210 176.121 177.300 0.051 0.000 1.200 53 P CA -0.058 62.972 63.100 -0.117 0.000 0.772 53 P CB 0.258 31.852 31.700 -0.176 0.000 0.855 54 W N 0.661 122.035 121.300 0.125 0.000 2.647 54 W HA 0.726 5.386 4.660 -0.001 0.000 0.353 54 W C -0.710 175.884 176.519 0.126 0.000 1.080 54 W CA -0.756 56.682 57.345 0.155 0.000 1.208 54 W CB 0.162 29.787 29.460 0.274 0.000 1.396 54 W HN 0.117 nan 8.180 nan 0.000 0.573 55 S N 1.030 116.920 115.700 0.316 0.000 2.672 55 S HA 0.727 5.197 4.470 -0.001 0.000 0.276 55 S C 0.575 175.370 174.600 0.326 0.000 1.207 55 S CA 0.552 58.880 58.200 0.213 0.000 1.002 55 S CB 0.797 64.078 63.200 0.136 0.000 0.998 55 S HN 1.425 nan 8.310 nan 0.000 0.542 56 G N 0.051 108.984 108.800 0.222 0.000 2.645 56 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.246 56 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.246 56 G C -0.890 174.206 174.900 0.327 0.000 1.322 56 G CA -0.335 44.893 45.100 0.213 0.000 0.898 56 G HN 0.994 nan 8.290 nan 0.000 0.573 57 V N 0.609 120.673 119.914 0.251 0.000 2.384 57 V HA 0.449 4.569 4.120 -0.001 0.000 0.287 57 V C 0.310 176.543 176.094 0.231 0.000 1.020 57 V CA -0.540 61.931 62.300 0.285 0.000 0.850 57 V CB 1.713 33.641 31.823 0.174 0.000 0.987 57 V HN 0.704 nan 8.190 nan 0.000 0.436 58 W N 5.515 126.900 121.300 0.142 0.000 2.368 58 W HA 0.152 4.812 4.660 -0.001 0.000 0.316 58 W C 0.363 176.869 176.519 -0.022 0.000 1.375 58 W CA -0.205 57.053 57.345 -0.144 0.000 1.261 58 W CB 0.676 29.858 29.460 -0.463 0.000 1.298 58 W HN 0.620 nan 8.180 nan 0.000 0.539 59 N N 4.808 123.298 118.700 -0.351 0.000 2.399 59 N HA 0.146 4.886 4.740 -0.001 0.000 0.259 59 N C -0.311 175.202 175.510 0.005 0.000 1.160 59 N CA 0.289 53.241 53.050 -0.163 0.000 0.946 59 N CB 0.866 39.197 38.487 -0.260 0.000 1.156 59 N HN 0.396 nan 8.380 nan 0.000 0.489 60 A N 2.730 125.669 122.820 0.197 0.000 2.965 60 A HA 0.164 4.484 4.320 -0.001 0.000 0.304 60 A C 1.151 178.757 177.584 0.037 0.000 1.214 60 A CA -0.391 51.788 52.037 0.237 0.000 0.977 60 A CB -0.394 18.847 19.000 0.401 0.000 1.127 60 A HN 0.628 nan 8.150 nan 0.000 0.572 61 S N -0.879 114.801 115.700 -0.034 0.000 2.517 61 S HA 0.132 4.601 4.470 -0.001 0.000 0.214 61 S C 0.816 175.335 174.600 -0.136 0.000 0.991 61 S CA 0.648 58.786 58.200 -0.105 0.000 0.906 61 S CB -0.269 62.875 63.200 -0.093 0.000 0.789 61 S HN 0.832 nan 8.310 nan 0.000 0.513 62 T N -0.838 113.653 114.554 -0.106 0.000 2.900 62 T HA 0.614 4.963 4.350 -0.001 0.000 0.295 62 T C -0.825 173.849 174.700 -0.044 0.000 1.044 62 T CA -0.771 61.264 62.100 -0.108 0.000 0.995 62 T CB 0.727 69.550 68.868 -0.075 0.000 1.072 62 T HN 0.063 nan 8.240 nan 0.000 0.473 63 Y N 3.353 123.623 120.300 -0.050 0.000 2.805 63 Y HA 0.237 4.787 4.550 -0.001 0.000 0.337 63 Y C -1.452 174.390 175.900 -0.097 0.000 1.252 63 Y CA -1.295 56.779 58.100 -0.044 0.000 1.515 63 Y CB -0.014 38.441 38.460 -0.009 0.000 1.305 63 Y HN 0.544 nan 8.280 nan 0.000 0.600 64 P HA 0.029 nan 4.420 nan 0.000 0.277 64 P C -0.533 176.697 177.300 -0.118 0.000 1.271 64 P CA -0.476 62.515 63.100 -0.183 0.000 0.795 64 P CB 0.739 32.275 31.700 -0.273 0.000 1.101 65 N N 0.491 119.093 118.700 -0.164 0.000 2.374 65 N HA 0.027 4.767 4.740 -0.001 0.000 0.241 65 N C 0.118 175.600 175.510 -0.047 0.000 1.262 65 N CA 0.482 53.480 53.050 -0.087 0.000 0.880 65 N CB -0.378 38.067 38.487 -0.070 0.000 1.105 65 N HN 0.426 nan 8.380 nan 0.000 0.438 66 N N -0.588 118.073 118.700 -0.065 0.000 2.495 66 N HA 0.298 5.037 4.740 -0.001 0.000 0.280 66 N C -0.359 175.107 175.510 -0.074 0.000 1.168 66 N CA -0.665 52.341 53.050 -0.074 0.000 0.978 66 N CB 0.874 39.290 38.487 -0.120 0.000 1.191 66 N HN 0.412 nan 8.380 nan 0.000 0.497 67 c N 1.084 119.639 118.600 -0.074 0.000 2.700 67 c HA 0.057 4.627 4.570 -0.001 0.000 0.397 67 c C 0.601 174.596 174.090 -0.159 0.000 1.301 67 c CA -0.589 55.674 56.329 -0.109 0.000 2.219 67 c CB -0.058 42.414 42.510 -0.063 0.000 2.699 67 c HN 0.531 nan 8.230 nan 0.000 0.669 68 Q N 2.578 122.201 119.800 -0.296 0.000 2.274 68 Q HA 0.216 4.556 4.340 -0.001 0.000 0.280 68 Q C -0.064 175.857 176.000 -0.131 0.000 1.047 68 Q CA 0.917 56.523 55.803 -0.327 0.000 0.907 68 Q CB 0.509 28.796 28.738 -0.751 0.000 1.171 68 Q HN 0.871 nan 8.270 nan 0.000 0.381 69 Q N 1.491 121.307 119.800 0.025 0.000 2.522 69 Q HA 0.278 4.617 4.340 -0.001 0.000 0.285 69 Q C -1.198 174.957 176.000 0.259 0.000 0.982 69 Q CA -1.029 54.887 55.803 0.189 0.000 0.805 69 Q CB 0.764 29.579 28.738 0.128 0.000 1.457 69 Q HN 0.485 nan 8.270 nan 0.000 0.394 70 Y N 1.272 121.746 120.300 0.290 0.000 2.810 70 Y HA 0.224 4.774 4.550 -0.001 0.000 0.332 70 Y C -1.037 175.027 175.900 0.273 0.000 1.243 70 Y CA 0.567 58.869 58.100 0.338 0.000 1.537 70 Y CB 0.653 39.435 38.460 0.537 0.000 1.265 70 Y HN 0.436 nan 8.280 nan 0.000 0.572 71 V N 7.024 126.680 119.914 -0.430 0.000 2.417 71 V HA 0.118 4.237 4.120 -0.001 0.000 0.291 71 V C -0.504 175.293 176.094 -0.496 0.000 1.024 71 V CA -1.055 61.067 62.300 -0.296 0.000 0.861 71 V CB 1.523 33.258 31.823 -0.147 0.000 0.985 71 V HN 0.755 nan 8.190 nan 0.000 0.436 72 D N 3.812 124.127 120.400 -0.142 0.000 2.358 72 D HA 0.095 4.734 4.640 -0.001 0.000 0.258 72 D C 0.561 176.886 176.300 0.042 0.000 1.223 72 D CA 0.389 54.415 54.000 0.043 0.000 0.886 72 D CB 0.864 41.828 40.800 0.273 0.000 1.120 72 D HN 0.670 nan 8.370 nan 0.000 0.482 73 E N 2.539 122.740 120.200 0.002 0.000 2.651 73 E HA -0.032 4.317 4.350 -0.001 0.000 0.208 73 E C 0.789 177.370 176.600 -0.032 0.000 0.997 73 E CA -0.134 56.268 56.400 0.004 0.000 1.020 73 E CB 0.673 30.353 29.700 -0.034 0.000 1.052 73 E HN 0.389 nan 8.360 nan 0.000 0.465 74 Q N 0.057 119.814 119.800 -0.070 0.000 2.119 74 Q HA -0.069 4.271 4.340 -0.001 0.000 0.201 74 Q C -0.241 175.335 176.000 -0.705 0.000 0.972 74 Q CA 1.367 56.901 55.803 -0.449 0.000 0.847 74 Q CB 0.208 28.545 28.738 -0.668 0.000 0.903 74 Q HN 0.122 nan 8.270 nan 0.000 0.433 75 F N 0.639 120.660 119.950 0.117 0.000 2.660 75 F HA 0.440 4.967 4.527 -0.001 0.000 0.352 75 F C -2.246 173.629 175.800 0.125 0.000 1.257 75 F CA -2.933 55.115 58.000 0.079 0.000 1.200 75 F CB 1.128 40.155 39.000 0.044 0.000 1.473 75 F HN -0.125 nan 8.300 nan 0.000 0.561 76 P HA 0.178 nan 4.420 nan 0.000 0.264 76 P C 1.012 178.400 177.300 0.146 0.000 1.193 76 P CA 1.066 64.246 63.100 0.134 0.000 0.763 76 P CB 0.832 32.574 31.700 0.070 0.000 0.810 77 G N 2.307 111.179 108.800 0.120 0.000 2.205 77 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.261 77 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.261 77 G C -0.026 174.941 174.900 0.111 0.000 0.980 77 G CA -0.351 44.800 45.100 0.085 0.000 0.632 77 G HN 0.538 nan 8.290 nan 0.000 0.533 78 F N 2.937 122.885 119.950 -0.003 0.000 2.420 78 F HA 0.547 5.074 4.527 -0.001 0.000 0.352 78 F C 1.606 177.340 175.800 -0.110 0.000 1.108 78 F CA -0.125 57.821 58.000 -0.090 0.000 1.162 78 F CB 1.293 40.228 39.000 -0.108 0.000 1.118 78 F HN 0.222 nan 8.300 nan 0.000 0.510 79 S N 3.378 118.643 115.700 -0.725 0.000 2.402 79 S HA -0.078 4.392 4.470 -0.001 0.000 0.229 79 S C 2.168 176.351 174.600 -0.695 0.000 1.021 79 S CA 0.877 58.721 58.200 -0.592 0.000 0.974 79 S CB -1.171 61.738 63.200 -0.484 0.000 0.800 79 S HN 0.846 nan 8.310 nan 0.000 0.484 80 G N 1.721 109.675 108.800 -1.411 0.000 2.442 80 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.219 80 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.219 80 G C 1.737 176.832 174.900 0.325 0.000 1.141 80 G CA 1.391 45.973 45.100 -0.862 0.000 0.763 80 G HN 0.804 nan 8.290 nan 0.000 0.554 81 S N -0.296 115.621 115.700 0.362 0.000 2.468 81 S HA 0.137 4.607 4.470 -0.001 0.000 0.226 81 S C 1.842 176.711 174.600 0.447 0.000 1.051 81 S CA 0.743 59.449 58.200 0.843 0.000 0.943 81 S CB -0.053 63.773 63.200 1.043 0.000 0.810 81 S HN 0.435 nan 8.310 nan 0.000 0.509 82 E N 1.895 122.201 120.200 0.176 0.000 2.274 82 E HA -0.039 4.311 4.350 -0.001 0.000 0.194 82 E C 2.029 178.582 176.600 -0.078 0.000 0.996 82 E CA 1.133 57.569 56.400 0.060 0.000 0.840 82 E CB -0.412 29.296 29.700 0.013 0.000 0.772 82 E HN 0.816 nan 8.360 nan 0.000 0.491 83 M N -1.620 117.844 119.600 -0.227 0.000 2.446 83 M HA -0.097 4.383 4.480 -0.001 0.000 0.263 83 M C 0.956 176.899 176.300 -0.595 0.000 1.066 83 M CA 1.424 56.435 55.300 -0.483 0.000 1.087 83 M CB -0.364 31.828 32.600 -0.681 0.000 1.406 83 M HN 0.053 nan 8.290 nan 0.000 0.459 84 W N 0.815 122.075 121.300 -0.067 0.000 3.114 84 W HA 0.283 4.942 4.660 -0.001 0.000 0.279 84 W C 0.402 176.843 176.519 -0.129 0.000 1.277 84 W CA -0.943 56.331 57.345 -0.119 0.000 1.630 84 W CB -0.046 29.377 29.460 -0.062 0.000 1.087 84 W HN 0.104 nan 8.180 nan 0.000 0.637 85 N N 1.537 120.282 118.700 0.073 0.000 2.503 85 N HA 0.155 4.894 4.740 -0.001 0.000 0.267 85 N C -2.468 173.003 175.510 -0.065 0.000 1.214 85 N CA -1.624 51.436 53.050 0.017 0.000 0.959 85 N CB -0.029 38.472 38.487 0.024 0.000 1.142 85 N HN -0.356 nan 8.380 nan 0.000 0.455 86 P HA 0.029 nan 4.420 nan 0.000 0.262 86 P C 0.203 177.442 177.300 -0.101 0.000 1.182 86 P CA 0.117 63.152 63.100 -0.109 0.000 0.761 86 P CB 0.289 31.935 31.700 -0.091 0.000 0.795 87 N N 2.196 120.822 118.700 -0.123 0.000 2.187 87 N HA 0.051 4.791 4.740 -0.001 0.000 0.212 87 N C 0.099 175.561 175.510 -0.080 0.000 1.152 87 N CA 0.013 53.002 53.050 -0.102 0.000 0.872 87 N CB 0.364 38.780 38.487 -0.119 0.000 1.025 87 N HN 0.156 nan 8.380 nan 0.000 0.514 88 R N 0.310 120.758 120.500 -0.087 0.000 2.919 88 R HA 0.318 4.657 4.340 -0.001 0.000 0.260 88 R C -0.336 175.925 176.300 -0.065 0.000 1.067 88 R CA -0.768 55.292 56.100 -0.066 0.000 1.003 88 R CB 0.754 31.012 30.300 -0.069 0.000 1.192 88 R HN 0.253 nan 8.270 nan 0.000 0.488 89 E N 1.230 121.396 120.200 -0.058 0.000 2.442 89 E HA -0.014 4.335 4.350 -0.001 0.000 0.262 89 E C -0.458 176.102 176.600 -0.067 0.000 1.004 89 E CA 0.227 56.593 56.400 -0.057 0.000 0.928 89 E CB 0.591 30.258 29.700 -0.054 0.000 0.937 89 E HN 0.244 nan 8.360 nan 0.000 0.446 90 M N 2.680 122.239 119.600 -0.068 0.000 2.233 90 M HA 0.225 4.705 4.480 -0.001 0.000 0.355 90 M C -0.288 175.957 176.300 -0.092 0.000 1.191 90 M CA -0.054 55.196 55.300 -0.085 0.000 1.101 90 M CB 1.684 34.232 32.600 -0.087 0.000 1.592 90 M HN 0.360 nan 8.290 nan 0.000 0.461 91 S N 0.841 116.477 115.700 -0.107 0.000 2.537 91 S HA 0.267 4.737 4.470 -0.001 0.000 0.270 91 S C 0.224 174.733 174.600 -0.151 0.000 1.142 91 S CA -0.665 57.471 58.200 -0.107 0.000 0.870 91 S CB 1.531 64.696 63.200 -0.058 0.000 1.112 91 S HN 0.826 nan 8.310 nan 0.000 0.466 92 E N 0.955 121.047 120.200 -0.180 0.000 2.268 92 E HA -0.089 4.261 4.350 -0.001 0.000 0.195 92 E C -0.278 176.258 176.600 -0.105 0.000 0.995 92 E CA 0.534 56.813 56.400 -0.202 0.000 0.836 92 E CB 0.099 29.682 29.700 -0.195 0.000 0.763 92 E HN 0.507 nan 8.360 nan 0.000 0.491 93 D N 0.427 120.799 120.400 -0.047 0.000 2.470 93 D HA -0.012 4.628 4.640 -0.001 0.000 0.226 93 D C -0.009 176.378 176.300 0.144 0.000 1.196 93 D CA -0.228 53.789 54.000 0.027 0.000 0.979 93 D CB -0.093 40.745 40.800 0.063 0.000 1.059 93 D HN 0.146 nan 8.370 nan 0.000 0.515 94 c N 2.365 121.016 118.600 0.084 0.000 3.722 94 c HA 0.387 4.957 4.570 -0.001 0.000 0.279 94 c C 0.463 174.622 174.090 0.116 0.000 1.819 94 c CA -0.713 55.726 56.329 0.183 0.000 1.744 94 c CB -1.287 41.251 42.510 0.047 0.000 3.247 94 c HN 0.403 nan 8.230 nan 0.000 0.549 95 L N 2.535 123.560 121.223 -0.331 0.000 2.358 95 L HA 0.479 4.819 4.340 -0.001 0.000 0.274 95 L C -0.967 175.126 176.870 -1.295 0.000 1.136 95 L CA 0.326 54.713 54.840 -0.755 0.000 0.970 95 L CB -0.400 41.100 42.059 -0.932 0.000 1.314 95 L HN 0.364 nan 8.230 nan 0.000 0.427 96 Y N 2.304 122.466 120.300 -0.230 0.000 2.581 96 Y HA 0.656 5.205 4.550 -0.001 0.000 0.345 96 Y C -0.203 175.871 175.900 0.289 0.000 1.036 96 Y CA -1.217 56.857 58.100 -0.042 0.000 1.042 96 Y CB 2.069 40.507 38.460 -0.036 0.000 1.289 96 Y HN 0.227 nan 8.280 nan 0.000 0.471 97 L N -0.155 121.259 121.223 0.318 0.000 2.327 97 L HA 0.780 5.120 4.340 -0.001 0.000 0.258 97 L C -1.323 175.606 176.870 0.098 0.000 1.024 97 L CA -1.147 53.813 54.840 0.200 0.000 0.825 97 L CB 1.843 43.934 42.059 0.054 0.000 1.386 97 L HN 0.474 nan 8.230 nan 0.000 0.417 98 N N 1.419 120.176 118.700 0.096 0.000 2.238 98 N HA 0.719 5.458 4.740 -0.001 0.000 0.302 98 N C -1.360 174.072 175.510 -0.129 0.000 1.072 98 N CA -0.214 52.795 53.050 -0.068 0.000 0.792 98 N CB 2.752 41.203 38.487 -0.060 0.000 1.425 98 N HN 0.656 nan 8.380 nan 0.000 0.478 99 I N 0.520 120.928 120.570 -0.270 0.000 2.499 99 I HA 0.388 4.558 4.170 -0.001 0.000 0.288 99 I C -0.696 175.348 176.117 -0.123 0.000 1.048 99 I CA -0.729 60.518 61.300 -0.089 0.000 1.062 99 I CB 2.124 40.025 38.000 -0.166 0.000 1.238 99 I HN 0.237 nan 8.210 nan 0.000 0.426 100 W N 5.709 127.141 121.300 0.221 0.000 2.433 100 W HA 0.598 5.258 4.660 -0.001 0.000 0.315 100 W C -0.904 175.756 176.519 0.234 0.000 1.087 100 W CA -0.715 56.754 57.345 0.207 0.000 1.205 100 W CB 2.131 31.682 29.460 0.153 0.000 1.288 100 W HN 0.097 nan 8.180 nan 0.000 0.504 101 V N 4.759 124.937 119.914 0.439 0.000 2.483 101 V HA 0.245 4.365 4.120 -0.001 0.000 0.297 101 V C -2.002 174.285 176.094 0.322 0.000 1.027 101 V CA -2.342 60.191 62.300 0.388 0.000 0.855 101 V CB 1.906 34.027 31.823 0.498 0.000 0.995 101 V HN 0.264 nan 8.190 nan 0.000 0.424 102 P HA 0.056 nan 4.420 nan 0.000 0.267 102 P C -0.463 176.966 177.300 0.214 0.000 1.201 102 P CA 0.328 63.563 63.100 0.226 0.000 0.775 102 P CB 0.494 32.291 31.700 0.162 0.000 0.854 103 S N 1.699 117.522 115.700 0.205 0.000 2.552 103 S HA 0.555 5.024 4.470 -0.001 0.000 0.314 103 S C -2.356 172.332 174.600 0.146 0.000 1.099 103 S CA -1.527 56.777 58.200 0.174 0.000 1.070 103 S CB -0.020 63.285 63.200 0.174 0.000 0.998 103 S HN 0.242 nan 8.310 nan 0.000 0.474 104 P HA 0.217 nan 4.420 nan 0.000 0.272 104 P C -0.513 176.861 177.300 0.123 0.000 1.230 104 P CA -0.642 62.523 63.100 0.110 0.000 0.788 104 P CB 0.403 32.153 31.700 0.083 0.000 0.949 105 R N 1.947 122.527 120.500 0.134 0.000 2.504 105 R HA 0.077 4.417 4.340 -0.001 0.000 0.291 105 R C -1.918 174.450 176.300 0.113 0.000 0.974 105 R CA -0.796 55.394 56.100 0.149 0.000 1.077 105 R CB -0.452 29.938 30.300 0.150 0.000 0.926 105 R HN 0.361 nan 8.270 nan 0.000 0.407 106 P HA 0.089 nan 4.420 nan 0.000 0.275 106 P C -0.262 177.077 177.300 0.065 0.000 1.266 106 P CA -0.404 62.746 63.100 0.084 0.000 0.793 106 P CB 0.711 32.464 31.700 0.088 0.000 1.074 107 K N -0.579 119.846 120.400 0.042 0.000 2.172 107 K HA 0.133 4.452 4.320 -0.001 0.000 0.203 107 K C 0.692 177.295 176.600 0.005 0.000 1.040 107 K CA 1.031 57.331 56.287 0.022 0.000 0.974 107 K CB -0.435 32.074 32.500 0.015 0.000 0.857 107 K HN 0.381 nan 8.250 nan 0.000 0.464 108 S N 1.190 116.894 115.700 0.006 0.000 2.564 108 S HA 0.163 4.633 4.470 -0.001 0.000 0.141 108 S C -0.980 173.621 174.600 0.002 0.000 1.474 108 S CA -0.393 57.801 58.200 -0.010 0.000 1.236 108 S CB 0.267 63.451 63.200 -0.027 0.000 1.481 108 S HN 0.123 nan 8.310 nan 0.000 0.397 109 T N 1.947 116.513 114.554 0.021 0.000 2.944 109 T HA 0.542 4.892 4.350 -0.001 0.000 0.284 109 T C 0.193 174.908 174.700 0.025 0.000 1.010 109 T CA -0.005 62.111 62.100 0.026 0.000 1.025 109 T CB 1.129 70.025 68.868 0.046 0.000 1.079 109 T HN 0.472 nan 8.240 nan 0.000 0.516 110 T N 2.500 117.064 114.554 0.016 0.000 2.933 110 T HA 0.275 4.625 4.350 -0.001 0.000 0.306 110 T C -0.268 174.457 174.700 0.042 0.000 1.045 110 T CA -0.124 61.983 62.100 0.012 0.000 1.143 110 T CB 0.140 69.002 68.868 -0.011 0.000 1.003 110 T HN 0.396 nan 8.240 nan 0.000 0.540 111 V N 5.205 125.151 119.914 0.052 0.000 2.555 111 V HA 0.522 4.641 4.120 -0.001 0.000 0.302 111 V C -0.017 176.138 176.094 0.101 0.000 1.038 111 V CA -0.788 61.568 62.300 0.093 0.000 0.887 111 V CB 1.735 33.617 31.823 0.099 0.000 0.991 111 V HN 0.829 nan 8.190 nan 0.000 0.434 112 M N 4.390 124.077 119.600 0.145 0.000 2.259 112 M HA 0.592 5.071 4.480 -0.001 0.000 0.304 112 M C -1.347 175.198 176.300 0.409 0.000 1.019 112 M CA -0.690 54.718 55.300 0.181 0.000 0.922 112 M CB 2.307 34.880 32.600 -0.045 0.000 1.600 112 M HN 0.348 nan 8.290 nan 0.000 0.433 113 V N 2.806 123.005 119.914 0.475 0.000 2.378 113 V HA 0.346 4.466 4.120 -0.001 0.000 0.288 113 V C -0.855 175.531 176.094 0.487 0.000 1.016 113 V CA -0.634 61.919 62.300 0.421 0.000 0.840 113 V CB 1.622 33.563 31.823 0.196 0.000 0.994 113 V HN 0.874 nan 8.190 nan 0.000 0.431 114 W N 6.911 128.312 121.300 0.170 0.000 2.316 114 W HA 0.618 5.278 4.660 -0.001 0.000 0.311 114 W C -1.284 175.135 176.519 -0.166 0.000 1.217 114 W CA -0.710 56.483 57.345 -0.253 0.000 1.199 114 W CB 1.158 30.510 29.460 -0.180 0.000 1.202 114 W HN 0.442 nan 8.180 nan 0.000 0.528 115 I N 9.208 129.160 120.570 -1.030 0.000 2.382 115 I HA 0.062 4.232 4.170 -0.001 0.000 0.285 115 I C -0.254 175.131 176.117 -1.221 0.000 1.007 115 I CA -1.126 59.656 61.300 -0.864 0.000 1.142 115 I CB 0.690 38.349 38.000 -0.568 0.000 1.289 115 I HN 0.298 nan 8.210 nan 0.000 0.453 116 Y N 4.630 124.523 120.300 -0.679 0.000 2.457 116 Y HA 0.636 5.185 4.550 -0.001 0.000 0.341 116 Y C 0.756 176.514 175.900 -0.236 0.000 1.240 116 Y CA -0.865 56.939 58.100 -0.495 0.000 1.437 116 Y CB -0.102 38.324 38.460 -0.057 0.000 1.328 116 Y HN 0.531 nan 8.280 nan 0.000 0.588 117 G N -0.587 108.250 108.800 0.062 0.000 2.606 117 G HA2 0.488 4.447 3.960 -0.001 0.000 0.262 117 G HA3 0.488 4.447 3.960 -0.001 0.000 0.262 117 G C 0.326 175.194 174.900 -0.054 0.000 1.394 117 G CA -0.905 44.163 45.100 -0.054 0.000 1.044 117 G HN 1.741 nan 8.290 nan 0.000 0.553 118 G N -2.892 105.716 108.800 -0.320 0.000 2.165 118 G HA2 0.399 4.358 3.960 -0.001 0.000 0.144 118 G HA3 0.399 4.358 3.960 -0.001 0.000 0.144 118 G C 1.058 175.424 174.900 -0.890 0.000 1.049 118 G CA 0.705 45.466 45.100 -0.564 0.000 0.741 118 G HN 2.324 nan 8.290 nan 0.000 0.493 119 G N -0.458 107.862 108.800 -0.800 0.000 2.233 119 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.270 119 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.270 119 G C 0.940 175.632 174.900 -0.346 0.000 1.011 119 G CA 0.844 45.331 45.100 -1.021 0.000 0.762 119 G HN 1.773 nan 8.290 nan 0.000 0.511 120 F N -3.523 116.350 119.950 -0.129 0.000 2.825 120 F HA -0.334 4.192 4.527 -0.001 0.000 0.358 120 F C 1.521 177.403 175.800 0.136 0.000 0.639 120 F CA 2.212 60.227 58.000 0.026 0.000 1.153 120 F CB -2.086 36.777 39.000 -0.228 0.000 1.610 120 F HN 0.865 nan 8.300 nan 0.000 0.305 121 Y N -0.872 119.486 120.300 0.097 0.000 2.445 121 Y HA 0.649 5.199 4.550 -0.001 0.000 0.247 121 Y C 0.677 176.664 175.900 0.144 0.000 1.129 121 Y CA 0.261 58.437 58.100 0.128 0.000 1.251 121 Y CB 0.028 38.474 38.460 -0.023 0.000 1.176 121 Y HN 0.106 nan 8.280 nan 0.000 0.522 122 S N -0.837 114.639 115.700 -0.374 0.000 2.672 122 S HA 0.881 5.351 4.470 -0.001 0.000 0.271 122 S C -0.273 174.150 174.600 -0.294 0.000 1.171 122 S CA -0.462 57.567 58.200 -0.285 0.000 0.817 122 S CB 1.463 64.418 63.200 -0.408 0.000 1.150 122 S HN 1.301 nan 8.310 nan 0.000 0.478 123 G N -0.353 108.243 108.800 -0.340 0.000 2.375 123 G HA2 0.435 4.395 3.960 -0.001 0.000 0.663 123 G HA3 0.435 4.395 3.960 -0.001 0.000 0.663 123 G C -1.075 173.181 174.900 -1.073 0.000 1.391 123 G CA -0.281 44.460 45.100 -0.599 0.000 0.949 123 G HN 1.430 nan 8.290 nan 0.000 0.646 124 S N -1.122 113.905 115.700 -1.122 0.000 2.537 124 S HA 0.665 5.135 4.470 -0.001 0.000 0.270 124 S C 0.949 175.387 174.600 -0.271 0.000 1.142 124 S CA 0.142 57.923 58.200 -0.697 0.000 0.870 124 S CB 1.767 64.773 63.200 -0.323 0.000 1.112 124 S HN 1.956 nan 8.310 nan 0.000 0.466 125 S N 0.073 115.815 115.700 0.070 0.000 2.527 125 S HA -0.065 4.405 4.470 -0.001 0.000 0.222 125 S C 1.392 176.090 174.600 0.164 0.000 0.985 125 S CA 1.011 59.447 58.200 0.393 0.000 0.921 125 S CB -0.623 62.829 63.200 0.421 0.000 0.772 125 S HN 0.847 nan 8.310 nan 0.000 0.529 126 T N 0.090 114.530 114.554 -0.189 0.000 3.086 126 T HA 0.400 4.750 4.350 -0.001 0.000 0.250 126 T C 0.534 174.952 174.700 -0.470 0.000 1.074 126 T CA -0.532 61.133 62.100 -0.725 0.000 0.988 126 T CB -0.578 67.778 68.868 -0.853 0.000 0.988 126 T HN 0.310 nan 8.240 nan 0.000 0.530 127 L N 2.227 123.260 121.223 -0.316 0.000 2.514 127 L HA 0.118 4.457 4.340 -0.001 0.000 0.280 127 L C 1.286 177.927 176.870 -0.382 0.000 1.223 127 L CA -0.426 54.147 54.840 -0.445 0.000 0.864 127 L CB 0.304 41.879 42.059 -0.807 0.000 1.118 127 L HN 0.073 nan 8.230 nan 0.000 0.494 128 D N 1.472 121.680 120.400 -0.321 0.000 2.158 128 D HA -0.162 4.478 4.640 -0.001 0.000 0.197 128 D C 1.920 178.038 176.300 -0.304 0.000 0.995 128 D CA 1.016 54.885 54.000 -0.219 0.000 0.846 128 D CB 0.126 40.807 40.800 -0.197 0.000 0.941 128 D HN 0.396 nan 8.370 nan 0.000 0.456 129 V N 0.110 119.704 119.914 -0.532 0.000 3.141 129 V HA -0.189 3.930 4.120 -0.001 0.000 0.265 129 V C 0.611 176.265 176.094 -0.734 0.000 1.126 129 V CA 1.090 63.036 62.300 -0.591 0.000 1.141 129 V CB -0.437 30.944 31.823 -0.736 0.000 0.743 129 V HN 0.158 nan 8.190 nan 0.000 0.492 130 Y N -0.738 119.108 120.300 -0.757 0.000 2.555 130 Y HA 0.413 4.962 4.550 -0.001 0.000 0.259 130 Y C 0.963 176.450 175.900 -0.689 0.000 1.179 130 Y CA -1.540 55.807 58.100 -1.255 0.000 1.230 130 Y CB -1.010 37.032 38.460 -0.697 0.000 1.146 130 Y HN 0.197 nan 8.280 nan 0.000 0.526 131 N N 1.595 120.135 118.700 -0.268 0.000 2.418 131 N HA -0.034 4.706 4.740 -0.001 0.000 0.277 131 N C 1.367 176.559 175.510 -0.530 0.000 1.317 131 N CA 0.646 53.549 53.050 -0.246 0.000 0.922 131 N CB 1.027 39.462 38.487 -0.087 0.000 1.194 131 N HN 0.492 nan 8.380 nan 0.000 0.485 132 G N 3.475 111.369 108.800 -1.511 0.000 2.679 132 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.212 132 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.212 132 G C 1.447 175.713 174.900 -1.056 0.000 1.137 132 G CA 0.510 44.878 45.100 -1.219 0.000 0.787 132 G HN 0.752 nan 8.290 nan 0.000 0.534 133 K N -0.295 119.317 120.400 -1.314 0.000 2.057 133 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 133 K C 1.835 178.208 176.600 -0.377 0.000 1.049 133 K CA 1.255 57.114 56.287 -0.713 0.000 0.931 133 K CB -0.580 31.579 32.500 -0.568 0.000 0.714 133 K HN 0.327 nan 8.250 nan 0.000 0.440 134 Y N 1.190 121.416 120.300 -0.123 0.000 2.200 134 Y HA -0.130 4.420 4.550 -0.001 0.000 0.290 134 Y C 2.395 178.300 175.900 0.007 0.000 1.137 134 Y CA 0.742 58.829 58.100 -0.021 0.000 1.163 134 Y CB -0.647 37.777 38.460 -0.060 0.000 0.988 134 Y HN 0.040 nan 8.280 nan 0.000 0.518 135 L N 0.276 121.537 121.223 0.063 0.000 2.027 135 L HA -0.041 4.298 4.340 -0.001 0.000 0.206 135 L C 2.374 179.261 176.870 0.029 0.000 1.074 135 L CA 1.864 56.698 54.840 -0.010 0.000 0.745 135 L CB -1.216 40.750 42.059 -0.154 0.000 0.898 135 L HN 0.141 nan 8.230 nan 0.000 0.433 136 A N -1.253 121.598 122.820 0.051 0.000 1.883 136 A HA -0.306 4.013 4.320 -0.001 0.000 0.217 136 A C 2.328 180.002 177.584 0.149 0.000 1.186 136 A CA 2.002 54.118 52.037 0.131 0.000 0.624 136 A CB -1.265 17.873 19.000 0.231 0.000 0.822 136 A HN 0.630 nan 8.150 nan 0.000 0.444 137 Y N 1.120 121.447 120.300 0.044 0.000 2.145 137 Y HA -0.169 4.381 4.550 -0.001 0.000 0.286 137 Y C 2.639 178.569 175.900 0.050 0.000 1.145 137 Y CA 2.404 60.535 58.100 0.052 0.000 1.148 137 Y CB -0.706 37.772 38.460 0.030 0.000 0.981 137 Y HN 0.293 nan 8.280 nan 0.000 0.507 138 T N 0.224 114.753 114.554 -0.041 0.000 2.812 138 T HA -0.095 4.255 4.350 -0.001 0.000 0.264 138 T C 1.334 175.967 174.700 -0.111 0.000 1.042 138 T CA 1.595 63.614 62.100 -0.135 0.000 1.140 138 T CB -0.085 68.801 68.868 0.029 0.000 0.870 138 T HN 0.308 nan 8.240 nan 0.000 0.445 139 E N 0.657 120.839 120.200 -0.030 0.000 2.481 139 E HA 0.099 4.449 4.350 -0.001 0.000 0.198 139 E C -0.008 176.594 176.600 0.004 0.000 1.027 139 E CA 0.048 56.454 56.400 0.011 0.000 0.900 139 E CB 0.161 29.882 29.700 0.036 0.000 0.993 139 E HN 0.586 nan 8.360 nan 0.000 0.482 140 E N 0.189 120.382 120.200 -0.012 0.000 2.271 140 E HA -0.158 4.191 4.350 -0.001 0.000 0.223 140 E C -0.116 176.513 176.600 0.047 0.000 1.223 140 E CA 0.454 56.862 56.400 0.015 0.000 0.704 140 E CB -2.008 27.690 29.700 -0.004 0.000 1.194 140 E HN 0.126 nan 8.360 nan 0.000 0.375 141 V N -3.549 116.406 119.914 0.068 0.000 2.919 141 V HA 0.661 4.781 4.120 -0.001 0.000 0.316 141 V C 0.512 176.691 176.094 0.142 0.000 1.077 141 V CA -1.071 61.279 62.300 0.083 0.000 0.977 141 V CB 2.220 34.075 31.823 0.053 0.000 1.039 141 V HN -0.015 nan 8.190 nan 0.000 0.441 142 V N 4.477 124.483 119.914 0.153 0.000 2.408 142 V HA 0.284 4.403 4.120 -0.001 0.000 0.267 142 V C 0.046 176.283 176.094 0.238 0.000 1.047 142 V CA -0.245 62.179 62.300 0.208 0.000 0.937 142 V CB 0.968 32.900 31.823 0.181 0.000 0.999 142 V HN 0.759 nan 8.190 nan 0.000 0.472 143 L N 7.645 129.070 121.223 0.338 0.000 2.287 143 L HA 0.608 4.948 4.340 -0.001 0.000 0.287 143 L C -0.507 176.682 176.870 0.531 0.000 1.022 143 L CA 0.004 55.096 54.840 0.420 0.000 0.814 143 L CB 1.735 44.040 42.059 0.410 0.000 1.217 143 L HN 0.402 nan 8.230 nan 0.000 0.420 144 V N 3.919 124.108 119.914 0.459 0.000 2.581 144 V HA 0.565 4.685 4.120 -0.001 0.000 0.303 144 V C 0.106 176.499 176.094 0.499 0.000 1.041 144 V CA -0.580 61.960 62.300 0.400 0.000 0.907 144 V CB 2.105 34.075 31.823 0.245 0.000 0.994 144 V HN 0.911 nan 8.190 nan 0.000 0.442 145 S N 4.835 120.835 115.700 0.501 0.000 2.519 145 S HA 0.829 5.299 4.470 -0.001 0.000 0.309 145 S C -0.778 174.013 174.600 0.318 0.000 1.100 145 S CA -0.783 57.712 58.200 0.492 0.000 1.059 145 S CB 1.556 65.158 63.200 0.669 0.000 1.008 145 S HN 0.673 nan 8.310 nan 0.000 0.478 146 L N 0.834 122.179 121.223 0.204 0.000 2.397 146 L HA 0.991 5.330 4.340 -0.001 0.000 0.266 146 L C 0.162 177.177 176.870 0.242 0.000 1.040 146 L CA -0.672 54.241 54.840 0.122 0.000 0.800 146 L CB 0.270 42.265 42.059 -0.107 0.000 1.324 146 L HN 0.888 nan 8.230 nan 0.000 0.469 147 S N -1.513 114.396 115.700 0.349 0.000 2.661 147 S HA 0.915 5.385 4.470 -0.001 0.000 0.285 147 S C -1.255 173.614 174.600 0.449 0.000 1.138 147 S CA -0.459 57.980 58.200 0.397 0.000 0.855 147 S CB 1.591 65.067 63.200 0.461 0.000 1.136 147 S HN 1.248 nan 8.310 nan 0.000 0.484 148 Y N -1.921 118.511 120.300 0.221 0.000 2.604 148 Y HA 0.664 5.214 4.550 -0.001 0.000 0.331 148 Y C -0.874 175.165 175.900 0.233 0.000 1.158 148 Y CA -1.363 56.852 58.100 0.191 0.000 1.056 148 Y CB 0.612 39.133 38.460 0.102 0.000 1.330 148 Y HN 0.781 nan 8.280 nan 0.000 0.457 149 R N 1.927 122.561 120.500 0.224 0.000 2.537 149 R HA 0.535 4.875 4.340 -0.001 0.000 0.280 149 R C -0.144 176.326 176.300 0.283 0.000 1.058 149 R CA -0.141 56.051 56.100 0.152 0.000 1.057 149 R CB 0.884 31.245 30.300 0.102 0.000 0.973 149 R HN 0.694 nan 8.270 nan 0.000 0.438 150 V N -0.263 119.836 119.914 0.307 0.000 3.166 150 V HA 0.891 5.011 4.120 -0.001 0.000 0.317 150 V C 0.753 177.181 176.094 0.557 0.000 1.136 150 V CA -0.137 62.467 62.300 0.507 0.000 1.035 150 V CB 1.165 33.165 31.823 0.295 0.000 1.110 150 V HN 0.971 nan 8.190 nan 0.000 0.450 151 G N 0.514 109.676 108.800 0.604 0.000 2.575 151 G HA2 0.009 3.969 3.960 -0.001 0.000 0.267 151 G HA3 0.009 3.969 3.960 -0.001 0.000 0.267 151 G C 1.022 176.135 174.900 0.354 0.000 1.264 151 G CA 1.032 46.442 45.100 0.516 0.000 0.935 151 G HN 2.222 nan 8.290 nan 0.000 0.568 152 A N -1.255 121.471 122.820 -0.157 0.000 1.940 152 A HA 0.208 4.528 4.320 -0.001 0.000 0.219 152 A C 2.238 179.711 177.584 -0.186 0.000 1.176 152 A CA 2.552 54.152 52.037 -0.728 0.000 0.631 152 A CB -0.543 17.759 19.000 -1.163 0.000 0.814 152 A HN 0.991 nan 8.150 nan 0.000 0.446 153 F N 0.115 120.123 119.950 0.096 0.000 2.202 153 F HA -0.042 4.485 4.527 -0.001 0.000 0.301 153 F C 2.451 178.263 175.800 0.020 0.000 1.082 153 F CA 1.085 59.107 58.000 0.037 0.000 1.313 153 F CB -0.723 38.248 39.000 -0.049 0.000 1.024 153 F HN 0.280 nan 8.300 nan 0.000 0.495 154 G N -2.195 106.706 108.800 0.168 0.000 2.719 154 G HA2 0.051 4.010 3.960 -0.001 0.000 0.211 154 G HA3 0.051 4.010 3.960 -0.001 0.000 0.211 154 G C 0.845 175.308 174.900 -0.729 0.000 1.140 154 G CA 0.189 45.126 45.100 -0.272 0.000 0.790 154 G HN 0.354 nan 8.290 nan 0.000 0.529 155 F N -0.790 119.250 119.950 0.151 0.000 2.915 155 F HA 0.414 4.941 4.527 -0.001 0.000 0.347 155 F C 0.346 176.203 175.800 0.096 0.000 1.104 155 F CA -1.025 57.044 58.000 0.115 0.000 1.126 155 F CB 0.330 39.416 39.000 0.144 0.000 1.145 155 F HN -0.091 nan 8.300 nan 0.000 0.541 156 L N 2.352 123.585 121.223 0.018 0.000 2.559 156 L HA 0.416 4.756 4.340 -0.001 0.000 0.274 156 L C 0.144 176.976 176.870 -0.063 0.000 1.205 156 L CA 0.266 55.005 54.840 -0.168 0.000 0.907 156 L CB 0.266 41.912 42.059 -0.688 0.000 1.153 156 L HN 0.155 nan 8.230 nan 0.000 0.490 157 A N 7.016 129.852 122.820 0.027 0.000 2.332 157 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 157 A C -0.824 176.771 177.584 0.018 0.000 1.153 157 A CA -0.502 51.558 52.037 0.038 0.000 0.764 157 A CB 0.654 19.707 19.000 0.089 0.000 1.174 157 A HN 0.711 nan 8.150 nan 0.000 0.467 158 L N 3.610 124.833 121.223 -0.000 0.000 2.435 158 L HA 0.244 4.584 4.340 -0.001 0.000 0.253 158 L C -0.022 176.876 176.870 0.047 0.000 1.087 158 L CA -0.712 54.131 54.840 0.005 0.000 0.950 158 L CB 0.418 42.447 42.059 -0.050 0.000 1.304 158 L HN 0.892 nan 8.230 nan 0.000 0.453 159 H N 1.873 120.940 119.070 -0.005 0.000 3.034 159 H HA 0.318 4.873 4.556 -0.001 0.000 0.324 159 H C 1.121 176.452 175.328 0.005 0.000 1.015 159 H CA 1.394 57.447 56.048 0.007 0.000 1.429 159 H CB 0.891 30.662 29.762 0.014 0.000 1.429 159 H HN 0.686 nan 8.280 nan 0.000 0.585 160 G N 2.789 111.282 108.800 -0.512 0.000 2.259 160 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.217 160 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.217 160 G C 0.424 175.228 174.900 -0.160 0.000 1.001 160 G CA 0.185 45.080 45.100 -0.341 0.000 0.627 160 G HN 0.905 nan 8.290 nan 0.000 0.501 161 S N 0.048 115.687 115.700 -0.101 0.000 2.586 161 S HA 0.586 5.056 4.470 -0.001 0.000 0.274 161 S C 1.136 175.716 174.600 -0.033 0.000 1.281 161 S CA 0.176 58.346 58.200 -0.049 0.000 1.035 161 S CB 1.444 64.626 63.200 -0.030 0.000 0.962 161 S HN 0.202 nan 8.310 nan 0.000 0.512 162 Q N 1.628 121.420 119.800 -0.012 0.000 2.384 162 Q HA 0.186 4.525 4.340 -0.001 0.000 0.207 162 Q C 1.158 177.174 176.000 0.027 0.000 0.904 162 Q CA 0.402 56.208 55.803 0.006 0.000 0.933 162 Q CB 0.164 28.906 28.738 0.006 0.000 1.077 162 Q HN 0.709 nan 8.270 nan 0.000 0.522 163 E N 0.433 120.652 120.200 0.032 0.000 2.170 163 E HA 0.087 4.436 4.350 -0.001 0.000 0.191 163 E C 0.159 176.812 176.600 0.089 0.000 0.981 163 E CA 0.514 56.951 56.400 0.062 0.000 0.830 163 E CB 0.527 30.267 29.700 0.066 0.000 0.775 163 E HN 0.102 nan 8.360 nan 0.000 0.470 164 A N 1.827 124.672 122.820 0.042 0.000 3.317 164 A HA 0.303 4.623 4.320 -0.001 0.000 0.307 164 A C -2.103 175.483 177.584 0.003 0.000 1.003 164 A CA -0.951 51.095 52.037 0.015 0.000 0.882 164 A CB 0.650 19.565 19.000 -0.141 0.000 1.136 164 A HN -0.108 nan 8.150 nan 0.000 0.488 165 P HA 0.188 nan 4.420 nan 0.000 0.236 165 P C 0.864 178.214 177.300 0.083 0.000 1.177 165 P CA 1.576 64.711 63.100 0.057 0.000 0.773 165 P CB 0.279 32.015 31.700 0.061 0.000 0.878 166 G N 0.738 109.568 108.800 0.050 0.000 2.663 166 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 166 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 166 G C -0.118 174.791 174.900 0.015 0.000 1.288 166 G CA -0.289 44.847 45.100 0.060 0.000 0.836 166 G HN 0.093 nan 8.290 nan 0.000 0.584 167 N N -2.466 116.242 118.700 0.012 0.000 2.778 167 N HA -0.286 4.454 4.740 -0.001 0.000 0.249 167 N C 1.924 177.281 175.510 -0.256 0.000 1.069 167 N CA 2.561 55.546 53.050 -0.108 0.000 0.831 167 N CB -1.662 36.706 38.487 -0.198 0.000 1.142 167 N HN 1.909 nan 8.380 nan 0.000 0.573 168 V N -2.799 116.948 119.914 -0.278 0.000 2.515 168 V HA 0.021 4.141 4.120 -0.001 0.000 0.250 168 V C 2.317 178.271 176.094 -0.234 0.000 1.058 168 V CA 2.285 64.474 62.300 -0.185 0.000 1.064 168 V CB -0.931 30.842 31.823 -0.082 0.000 0.675 168 V HN 0.268 nan 8.190 nan 0.000 0.461 169 G N 0.401 108.852 108.800 -0.582 0.000 2.422 169 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.218 169 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.218 169 G C 1.557 176.450 174.900 -0.012 0.000 1.146 169 G CA 1.122 46.057 45.100 -0.276 0.000 0.769 169 G HN 0.533 nan 8.290 nan 0.000 0.547 170 L N -0.150 121.021 121.223 -0.087 0.000 2.093 170 L HA 0.064 4.404 4.340 -0.001 0.000 0.208 170 L C 2.805 179.731 176.870 0.093 0.000 1.085 170 L CA 0.422 55.213 54.840 -0.083 0.000 0.755 170 L CB -0.251 41.477 42.059 -0.552 0.000 0.904 170 L HN 0.185 nan 8.230 nan 0.000 0.435 171 L N -0.725 120.531 121.223 0.055 0.000 2.141 171 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 171 L C 2.142 179.105 176.870 0.155 0.000 1.094 171 L CA 0.731 55.666 54.840 0.158 0.000 0.763 171 L CB -0.619 41.510 42.059 0.117 0.000 0.908 171 L HN 0.266 nan 8.230 nan 0.000 0.437 172 D N 0.121 120.612 120.400 0.151 0.000 2.104 172 D HA -0.212 4.427 4.640 -0.001 0.000 0.194 172 D C 2.274 178.694 176.300 0.200 0.000 0.994 172 D CA 1.245 55.409 54.000 0.273 0.000 0.830 172 D CB -0.208 40.784 40.800 0.320 0.000 0.959 172 D HN 0.401 nan 8.370 nan 0.000 0.452 173 Q N 0.106 119.970 119.800 0.106 0.000 2.050 173 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 173 Q C 2.308 178.233 176.000 -0.126 0.000 0.980 173 Q CA 1.030 56.805 55.803 -0.046 0.000 0.840 173 Q CB -0.086 28.642 28.738 -0.017 0.000 0.898 173 Q HN 0.209 nan 8.270 nan 0.000 0.424 174 R N 0.678 121.186 120.500 0.013 0.000 2.081 174 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 174 R C 2.217 178.506 176.300 -0.018 0.000 1.131 174 R CA 1.490 57.577 56.100 -0.022 0.000 0.960 174 R CB -0.180 30.209 30.300 0.147 0.000 0.856 174 R HN 0.291 nan 8.270 nan 0.000 0.436 175 M N 0.014 119.640 119.600 0.043 0.000 2.159 175 M HA -0.114 4.366 4.480 -0.001 0.000 0.263 175 M C 2.099 178.378 176.300 -0.035 0.000 1.063 175 M CA 1.916 57.275 55.300 0.099 0.000 1.110 175 M CB -0.044 32.710 32.600 0.257 0.000 1.374 175 M HN 0.306 nan 8.290 nan 0.000 0.411 176 A N 0.526 123.055 122.820 -0.485 0.000 1.902 176 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 176 A C 1.974 179.427 177.584 -0.218 0.000 1.181 176 A CA 1.461 53.007 52.037 -0.818 0.000 0.623 176 A CB -1.003 17.214 19.000 -1.305 0.000 0.818 176 A HN 0.589 nan 8.150 nan 0.000 0.443 177 L N -1.042 120.085 121.223 -0.161 0.000 2.083 177 L HA -0.234 4.106 4.340 -0.001 0.000 0.209 177 L C 2.826 179.738 176.870 0.069 0.000 1.083 177 L CA 1.682 56.499 54.840 -0.039 0.000 0.752 177 L CB -0.515 41.486 42.059 -0.097 0.000 0.899 177 L HN 0.490 nan 8.230 nan 0.000 0.433 178 Q N -0.252 119.588 119.800 0.066 0.000 2.084 178 Q HA -0.261 4.079 4.340 -0.001 0.000 0.202 178 Q C 2.026 178.142 176.000 0.193 0.000 0.978 178 Q CA 1.968 57.838 55.803 0.112 0.000 0.844 178 Q CB -0.478 28.317 28.738 0.095 0.000 0.898 178 Q HN 0.483 nan 8.270 nan 0.000 0.426 179 W N -0.751 120.574 121.300 0.041 0.000 2.358 179 W HA -0.148 4.511 4.660 -0.001 0.000 0.303 179 W C 1.828 178.396 176.519 0.080 0.000 1.208 179 W CA 1.604 58.995 57.345 0.077 0.000 1.274 179 W CB -0.125 29.386 29.460 0.085 0.000 1.138 179 W HN 0.016 nan 8.180 nan 0.000 0.515 180 V N -0.128 119.988 119.914 0.336 0.000 2.295 180 V HA -0.367 3.752 4.120 -0.001 0.000 0.246 180 V C 2.177 178.307 176.094 0.060 0.000 1.049 180 V CA 2.451 64.874 62.300 0.206 0.000 1.024 180 V CB -1.369 30.565 31.823 0.184 0.000 0.648 180 V HN 0.308 nan 8.190 nan 0.000 0.447 181 H N 0.617 119.688 119.070 0.002 0.000 2.319 181 H HA -0.197 4.358 4.556 -0.001 0.000 0.297 181 H C 1.954 177.219 175.328 -0.106 0.000 1.097 181 H CA 2.297 58.323 56.048 -0.037 0.000 1.285 181 H CB -0.093 29.660 29.762 -0.015 0.000 1.368 181 H HN 0.408 nan 8.280 nan 0.000 0.495 182 D N -0.947 119.398 120.400 -0.091 0.000 2.277 182 D HA -0.046 4.593 4.640 -0.001 0.000 0.208 182 D C 1.031 177.152 176.300 -0.299 0.000 0.962 182 D CA 0.735 54.622 54.000 -0.187 0.000 0.865 182 D CB 0.105 40.832 40.800 -0.121 0.000 0.939 182 D HN 0.506 nan 8.370 nan 0.000 0.510 183 N N -0.363 118.094 118.700 -0.404 0.000 2.168 183 N HA 0.031 4.771 4.740 -0.001 0.000 0.216 183 N C 1.410 176.839 175.510 -0.136 0.000 1.259 183 N CA -0.158 52.678 53.050 -0.355 0.000 0.902 183 N CB 1.067 38.945 38.487 -1.015 0.000 1.079 183 N HN 0.018 nan 8.380 nan 0.000 0.507 184 I N 3.141 123.641 120.570 -0.116 0.000 2.454 184 I HA -0.235 3.935 4.170 -0.001 0.000 0.254 184 I C 2.559 178.683 176.117 0.012 0.000 1.156 184 I CA 1.304 62.657 61.300 0.089 0.000 1.433 184 I CB -0.171 37.859 38.000 0.050 0.000 1.082 184 I HN 0.188 nan 8.210 nan 0.000 0.432 185 Q N -0.572 119.046 119.800 -0.304 0.000 2.181 185 Q HA -0.254 4.086 4.340 -0.001 0.000 0.205 185 Q C 1.907 177.675 176.000 -0.385 0.000 0.980 185 Q CA 1.832 57.389 55.803 -0.410 0.000 0.862 185 Q CB -0.925 27.431 28.738 -0.637 0.000 0.905 185 Q HN 0.428 nan 8.270 nan 0.000 0.429 186 F N -0.063 119.817 119.950 -0.117 0.000 2.502 186 F HA 0.079 4.605 4.527 -0.001 0.000 0.298 186 F C 1.120 176.680 175.800 -0.401 0.000 1.111 186 F CA 0.346 58.174 58.000 -0.287 0.000 1.445 186 F CB -0.204 38.541 39.000 -0.423 0.000 1.081 186 F HN -0.006 nan 8.300 nan 0.000 0.558 187 F N -0.390 119.572 119.950 0.020 0.000 2.765 187 F HA 0.392 4.918 4.527 -0.001 0.000 0.302 187 F C 1.825 177.644 175.800 0.031 0.000 1.111 187 F CA 0.391 58.383 58.000 -0.013 0.000 1.359 187 F CB -0.260 38.712 39.000 -0.046 0.000 1.097 187 F HN 0.051 nan 8.300 nan 0.000 0.577 188 G N 0.255 109.129 108.800 0.122 0.000 2.141 188 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.231 188 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.231 188 G C 0.543 175.487 174.900 0.074 0.000 0.984 188 G CA -0.276 44.874 45.100 0.084 0.000 0.660 188 G HN 0.724 nan 8.290 nan 0.000 0.525 189 G N -0.506 108.341 108.800 0.078 0.000 2.425 189 G HA2 0.504 4.463 3.960 -0.001 0.000 0.302 189 G HA3 0.504 4.463 3.960 -0.001 0.000 0.302 189 G C -0.738 174.150 174.900 -0.019 0.000 1.159 189 G CA 0.225 45.355 45.100 0.052 0.000 0.865 189 G HN 0.263 nan 8.290 nan 0.000 0.515 190 D N 1.543 121.933 120.400 -0.016 0.000 2.396 190 D HA 0.276 4.916 4.640 -0.001 0.000 0.225 190 D C -1.117 175.152 176.300 -0.051 0.000 1.121 190 D CA -2.430 51.541 54.000 -0.049 0.000 0.853 190 D CB 1.855 42.635 40.800 -0.033 0.000 1.043 190 D HN 0.059 nan 8.370 nan 0.000 0.500 191 P HA -0.092 nan 4.420 nan 0.000 0.230 191 P C 0.581 177.860 177.300 -0.036 0.000 1.158 191 P CA 0.520 63.556 63.100 -0.106 0.000 0.769 191 P CB 0.396 31.917 31.700 -0.298 0.000 0.807 192 K N -0.557 119.819 120.400 -0.041 0.000 2.404 192 K HA 0.131 4.451 4.320 -0.001 0.000 0.194 192 K C 0.430 177.027 176.600 -0.004 0.000 1.023 192 K CA 0.570 56.850 56.287 -0.011 0.000 1.094 192 K CB -0.081 32.402 32.500 -0.029 0.000 0.841 192 K HN 0.101 nan 8.250 nan 0.000 0.523 193 T N 1.152 115.706 114.554 -0.000 0.000 3.630 193 T HA 0.233 4.583 4.350 -0.001 0.000 0.238 193 T C -0.391 174.326 174.700 0.028 0.000 1.195 193 T CA -0.340 61.758 62.100 -0.003 0.000 1.433 193 T CB 0.656 69.509 68.868 -0.025 0.000 0.940 193 T HN -0.295 nan 8.240 nan 0.000 0.641 194 V N 2.147 122.105 119.914 0.074 0.000 2.383 194 V HA 0.406 4.525 4.120 -0.001 0.000 0.275 194 V C 0.480 176.669 176.094 0.159 0.000 1.036 194 V CA -0.420 61.953 62.300 0.121 0.000 0.889 194 V CB 1.412 33.332 31.823 0.163 0.000 0.985 194 V HN 0.507 nan 8.190 nan 0.000 0.459 195 T N 6.691 121.324 114.554 0.131 0.000 2.749 195 T HA 0.541 4.891 4.350 -0.001 0.000 0.287 195 T C 0.004 174.820 174.700 0.193 0.000 0.970 195 T CA -0.136 62.057 62.100 0.154 0.000 0.980 195 T CB 0.617 69.533 68.868 0.080 0.000 0.924 195 T HN 0.620 nan 8.240 nan 0.000 0.456 196 I N 2.070 122.723 120.570 0.137 0.000 2.396 196 I HA 0.794 4.963 4.170 -0.001 0.000 0.292 196 I C -0.743 175.531 176.117 0.263 0.000 0.999 196 I CA -0.833 60.523 61.300 0.095 0.000 1.310 196 I CB 0.552 38.389 38.000 -0.271 0.000 1.404 196 I HN 0.453 nan 8.210 nan 0.000 0.496 197 F N 3.526 123.505 119.950 0.048 0.000 2.601 197 F HA 1.005 5.532 4.527 -0.001 0.000 0.309 197 F C -0.429 175.331 175.800 -0.066 0.000 1.089 197 F CA -1.456 56.613 58.000 0.115 0.000 0.940 197 F CB 1.360 40.554 39.000 0.323 0.000 1.273 197 F HN 0.813 nan 8.300 nan 0.000 0.450 198 G N 1.338 109.992 108.800 -0.243 0.000 2.646 198 G HA2 0.487 4.447 3.960 -0.001 0.000 0.291 198 G HA3 0.487 4.447 3.960 -0.001 0.000 0.291 198 G C -2.526 172.157 174.900 -0.362 0.000 1.445 198 G CA -0.799 43.798 45.100 -0.837 0.000 0.814 198 G HN 0.858 nan 8.290 nan 0.000 0.495 199 E N 0.506 120.460 120.200 -0.409 0.000 2.212 199 E HA 0.629 4.978 4.350 -0.001 0.000 0.268 199 E C 0.676 177.237 176.600 -0.065 0.000 0.902 199 E CA 0.321 56.715 56.400 -0.011 0.000 0.779 199 E CB 2.074 31.933 29.700 0.265 0.000 1.172 199 E HN 0.882 nan 8.360 nan 0.000 0.409 200 S N 3.077 118.800 115.700 0.039 0.000 4.140 200 S HA -0.396 4.074 4.470 -0.001 0.000 0.618 200 S C 1.492 176.206 174.600 0.190 0.000 1.896 200 S CA 2.180 60.476 58.200 0.159 0.000 4.240 200 S CB -1.657 61.563 63.200 0.033 0.000 0.208 200 S HN 0.980 nan 8.310 nan 0.000 0.487 201 A N 1.116 123.942 122.820 0.010 0.000 1.978 201 A HA 0.140 4.459 4.320 -0.001 0.000 0.220 201 A C 2.498 179.852 177.584 -0.385 0.000 1.170 201 A CA 2.503 54.355 52.037 -0.307 0.000 0.636 201 A CB -1.569 16.848 19.000 -0.972 0.000 0.810 201 A HN 1.637 nan 8.150 nan 0.000 0.448 202 G N -0.754 107.867 108.800 -0.300 0.000 2.422 202 G HA2 0.087 4.047 3.960 -0.001 0.000 0.218 202 G HA3 0.087 4.047 3.960 -0.001 0.000 0.218 202 G C 1.456 176.182 174.900 -0.290 0.000 1.140 202 G CA 1.158 46.031 45.100 -0.378 0.000 0.775 202 G HN 0.662 nan 8.290 nan 0.000 0.545 203 G N 1.147 109.840 108.800 -0.178 0.000 2.404 203 G HA2 0.077 4.037 3.960 -0.001 0.000 0.215 203 G HA3 0.077 4.037 3.960 -0.001 0.000 0.215 203 G C 2.071 176.882 174.900 -0.148 0.000 1.174 203 G CA 1.471 46.502 45.100 -0.114 0.000 0.780 203 G HN 0.582 nan 8.290 nan 0.000 0.537 204 A N 0.958 123.714 122.820 -0.107 0.000 1.892 204 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 204 A C 2.709 180.233 177.584 -0.100 0.000 1.188 204 A CA 2.478 54.427 52.037 -0.147 0.000 0.631 204 A CB -0.862 18.076 19.000 -0.104 0.000 0.822 204 A HN 0.320 nan 8.150 nan 0.000 0.447 205 S N -0.587 115.077 115.700 -0.060 0.000 2.359 205 S HA -0.166 4.303 4.470 -0.001 0.000 0.224 205 S C 1.923 176.450 174.600 -0.122 0.000 1.035 205 S CA 1.487 59.631 58.200 -0.093 0.000 1.018 205 S CB -0.638 62.461 63.200 -0.168 0.000 0.876 205 S HN 0.357 nan 8.310 nan 0.000 0.448 206 V N 1.630 121.477 119.914 -0.111 0.000 2.282 206 V HA -0.239 3.880 4.120 -0.001 0.000 0.249 206 V C 2.622 178.665 176.094 -0.085 0.000 1.057 206 V CA 2.114 64.354 62.300 -0.099 0.000 1.032 206 V CB -1.538 30.207 31.823 -0.130 0.000 0.645 206 V HN 0.616 nan 8.190 nan 0.000 0.447 207 G N -1.143 107.553 108.800 -0.173 0.000 2.442 207 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.219 207 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.219 207 G C 1.598 176.497 174.900 -0.000 0.000 1.141 207 G CA 1.138 46.109 45.100 -0.215 0.000 0.763 207 G HN 0.466 nan 8.290 nan 0.000 0.554 208 M N -0.240 119.369 119.600 0.015 0.000 2.229 208 M HA 0.012 4.491 4.480 -0.001 0.000 0.264 208 M C 2.300 178.693 176.300 0.156 0.000 1.063 208 M CA 0.888 56.318 55.300 0.217 0.000 1.114 208 M CB -0.257 32.478 32.600 0.224 0.000 1.387 208 M HN 0.197 nan 8.290 nan 0.000 0.420 209 H N -0.069 119.116 119.070 0.192 0.000 2.428 209 H HA 0.031 4.587 4.556 -0.001 0.000 0.296 209 H C 2.127 177.663 175.328 0.347 0.000 1.062 209 H CA 1.253 57.407 56.048 0.177 0.000 1.350 209 H CB -0.284 29.470 29.762 -0.013 0.000 1.403 209 H HN 0.410 nan 8.280 nan 0.000 0.533 210 I N 0.507 121.356 120.570 0.465 0.000 2.208 210 I HA -0.272 3.897 4.170 -0.001 0.000 0.245 210 I C 2.259 178.621 176.117 0.407 0.000 1.097 210 I CA 1.074 62.690 61.300 0.526 0.000 1.363 210 I CB -0.154 38.105 38.000 0.433 0.000 1.051 210 I HN 0.111 nan 8.210 nan 0.000 0.413 211 L N -0.466 120.962 121.223 0.341 0.000 2.068 211 L HA -0.066 4.274 4.340 -0.001 0.000 0.204 211 L C 1.565 178.533 176.870 0.162 0.000 1.076 211 L CA 0.417 55.451 54.840 0.323 0.000 0.753 211 L CB -0.301 41.988 42.059 0.383 0.000 0.910 211 L HN 0.079 nan 8.230 nan 0.000 0.439 212 S N 0.099 115.797 115.700 -0.003 0.000 2.481 212 S HA 0.089 4.559 4.470 -0.001 0.000 0.282 212 S C -1.476 172.995 174.600 -0.214 0.000 1.243 212 S CA -1.358 56.637 58.200 -0.343 0.000 1.078 212 S CB 0.774 63.312 63.200 -1.103 0.000 0.916 212 S HN -0.075 nan 8.310 nan 0.000 0.495 213 P HA -0.085 nan 4.420 nan 0.000 0.217 213 P C 1.403 178.615 177.300 -0.146 0.000 1.151 213 P CA 1.279 64.307 63.100 -0.120 0.000 0.849 213 P CB -0.121 31.517 31.700 -0.104 0.000 0.787 214 G N -1.687 106.977 108.800 -0.227 0.000 2.679 214 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.212 214 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.212 214 G C 1.365 176.181 174.900 -0.139 0.000 1.137 214 G CA 0.538 45.525 45.100 -0.189 0.000 0.787 214 G HN 0.240 nan 8.290 nan 0.000 0.534 215 S N -0.649 114.983 115.700 -0.113 0.000 2.514 215 S HA 0.131 4.601 4.470 -0.001 0.000 0.223 215 S C 2.176 176.854 174.600 0.130 0.000 1.046 215 S CA -0.445 57.794 58.200 0.066 0.000 0.914 215 S CB 0.227 63.596 63.200 0.282 0.000 0.807 215 S HN 0.315 nan 8.310 nan 0.000 0.497 216 R N 1.779 122.299 120.500 0.033 0.000 2.133 216 R HA -0.122 4.218 4.340 -0.001 0.000 0.247 216 R C 0.821 176.917 176.300 -0.341 0.000 1.151 216 R CA 1.678 57.704 56.100 -0.124 0.000 0.971 216 R CB -0.367 29.878 30.300 -0.092 0.000 0.866 216 R HN 0.280 nan 8.270 nan 0.000 0.447 217 D N 0.164 120.443 120.400 -0.202 0.000 2.363 217 D HA -0.028 4.611 4.640 -0.001 0.000 0.220 217 D C 1.277 177.450 176.300 -0.212 0.000 0.994 217 D CA 0.701 54.574 54.000 -0.212 0.000 0.890 217 D CB 0.132 40.831 40.800 -0.168 0.000 0.906 217 D HN 0.226 nan 8.370 nan 0.000 0.530 218 L N -0.317 120.828 121.223 -0.129 0.000 2.592 218 L HA 0.165 4.505 4.340 -0.001 0.000 0.227 218 L C -0.095 176.899 176.870 0.207 0.000 1.127 218 L CA -0.097 54.739 54.840 -0.007 0.000 0.884 218 L CB -0.199 41.880 42.059 0.033 0.000 1.065 218 L HN -0.056 nan 8.230 nan 0.000 0.457 219 F N -4.499 115.454 119.950 0.005 0.000 2.711 219 F HA 0.571 5.097 4.527 -0.001 0.000 0.313 219 F C 0.400 176.224 175.800 0.040 0.000 1.141 219 F CA -1.331 56.690 58.000 0.034 0.000 0.941 219 F CB 1.128 40.147 39.000 0.032 0.000 1.349 219 F HN -0.413 nan 8.300 nan 0.000 0.464 220 R N 0.689 121.271 120.500 0.137 0.000 2.103 220 R HA 0.459 4.798 4.340 -0.001 0.000 0.212 220 R C -0.070 176.288 176.300 0.096 0.000 1.107 220 R CA 1.299 57.414 56.100 0.024 0.000 1.025 220 R CB 0.242 30.559 30.300 0.028 0.000 0.929 220 R HN 0.871 nan 8.270 nan 0.000 0.456 221 R N -1.906 118.761 120.500 0.278 0.000 2.844 221 R HA 0.792 5.132 4.340 -0.001 0.000 0.264 221 R C -1.662 174.883 176.300 0.408 0.000 1.077 221 R CA -0.761 55.512 56.100 0.289 0.000 0.953 221 R CB 0.957 31.271 30.300 0.022 0.000 1.272 221 R HN 0.037 nan 8.270 nan 0.000 0.447 222 A N 0.695 123.758 122.820 0.405 0.000 2.547 222 A HA 0.701 5.020 4.320 -0.001 0.000 0.297 222 A C -1.333 176.369 177.584 0.196 0.000 1.056 222 A CA -0.813 51.384 52.037 0.267 0.000 0.688 222 A CB 1.514 20.636 19.000 0.204 0.000 1.282 222 A HN 0.587 nan 8.150 nan 0.000 0.400 223 I N 1.568 122.211 120.570 0.121 0.000 2.498 223 I HA 0.458 4.628 4.170 -0.001 0.000 0.290 223 I C -1.438 174.732 176.117 0.088 0.000 1.032 223 I CA -0.675 60.629 61.300 0.007 0.000 1.073 223 I CB 2.009 39.992 38.000 -0.027 0.000 1.251 223 I HN 0.452 nan 8.210 nan 0.000 0.426 224 L N 6.366 127.614 121.223 0.042 0.000 2.343 224 L HA 0.444 4.783 4.340 -0.001 0.000 0.278 224 L C -0.545 176.416 176.870 0.152 0.000 0.996 224 L CA -0.247 54.617 54.840 0.041 0.000 0.831 224 L CB 1.617 43.624 42.059 -0.087 0.000 1.232 224 L HN 0.489 nan 8.230 nan 0.000 0.413 225 Q N 1.828 121.770 119.800 0.237 0.000 2.347 225 Q HA 0.464 4.803 4.340 -0.001 0.000 0.262 225 Q C 0.068 176.203 176.000 0.225 0.000 0.980 225 Q CA -0.521 55.499 55.803 0.361 0.000 0.867 225 Q CB 1.444 30.488 28.738 0.510 0.000 1.242 225 Q HN 0.657 nan 8.270 nan 0.000 0.453 226 S N 1.099 116.918 115.700 0.199 0.000 3.614 226 S HA -0.177 4.293 4.470 -0.001 0.000 0.360 226 S C -0.002 174.754 174.600 0.259 0.000 1.023 226 S CA 0.595 58.930 58.200 0.225 0.000 1.114 226 S CB -1.109 62.246 63.200 0.259 0.000 0.907 226 S HN 0.949 nan 8.310 nan 0.000 0.470 227 G N -0.711 108.176 108.800 0.145 0.000 2.702 227 G HA2 0.598 4.557 3.960 -0.001 0.000 0.296 227 G HA3 0.598 4.557 3.960 -0.001 0.000 0.296 227 G C -1.295 173.551 174.900 -0.090 0.000 1.463 227 G CA 0.221 45.401 45.100 0.133 0.000 0.890 227 G HN 0.508 nan 8.290 nan 0.000 0.534 228 S N 0.861 116.435 115.700 -0.210 0.000 2.541 228 S HA 0.758 5.227 4.470 -0.001 0.000 0.271 228 S C -1.921 172.400 174.600 -0.465 0.000 1.133 228 S CA -1.134 56.807 58.200 -0.431 0.000 0.876 228 S CB 2.475 65.476 63.200 -0.332 0.000 1.105 228 S HN 0.341 nan 8.310 nan 0.000 0.470 229 P HA -0.051 nan 4.420 nan 0.000 0.221 229 P C 0.543 177.618 177.300 -0.375 0.000 1.150 229 P CA 0.925 63.804 63.100 -0.369 0.000 0.800 229 P CB -0.225 31.319 31.700 -0.260 0.000 0.787 230 N N -0.773 117.735 118.700 -0.320 0.000 2.370 230 N HA -0.017 4.723 4.740 -0.001 0.000 0.198 230 N C 0.071 175.345 175.510 -0.394 0.000 1.156 230 N CA -0.188 52.696 53.050 -0.277 0.000 0.839 230 N CB -1.380 37.056 38.487 -0.084 0.000 0.989 230 N HN 0.017 nan 8.380 nan 0.000 0.468 231 C N 2.793 121.747 119.300 -0.576 0.000 2.634 231 C HA 0.071 4.531 4.460 -0.001 0.000 0.417 231 C C -0.210 174.281 174.990 -0.831 0.000 1.334 231 C CA -0.873 57.663 59.018 -0.802 0.000 1.829 231 C CB 1.002 27.962 27.740 -1.299 0.000 2.665 231 C HN 0.358 nan 8.230 nan 0.000 0.614 232 P HA -0.099 nan 4.420 nan 0.000 0.222 232 P C 1.260 178.355 177.300 -0.341 0.000 1.147 232 P CA 1.704 64.521 63.100 -0.473 0.000 0.790 232 P CB -0.106 31.312 31.700 -0.469 0.000 0.780 233 W N -0.902 120.247 121.300 -0.251 0.000 3.139 233 W HA 0.502 5.162 4.660 -0.000 0.000 0.260 233 W C 1.177 177.721 176.519 0.041 0.000 1.312 233 W CA 0.405 57.679 57.345 -0.119 0.000 1.606 233 W CB -1.236 28.174 29.460 -0.083 0.000 1.118 233 W HN -0.106 nan 8.180 nan 0.000 0.675 234 A N 1.245 123.730 122.820 -0.558 0.000 2.178 234 A HA 0.189 4.509 4.320 -0.001 0.000 0.211 234 A C 1.010 178.380 177.584 -0.356 0.000 1.157 234 A CA 1.045 52.828 52.037 -0.423 0.000 0.780 234 A CB -0.508 17.990 19.000 -0.836 0.000 0.828 234 A HN 0.205 nan 8.150 nan 0.000 0.476 235 S N -1.669 113.827 115.700 -0.340 0.000 2.596 235 S HA 0.674 5.143 4.470 -0.001 0.000 0.270 235 S C -0.754 173.702 174.600 -0.240 0.000 1.155 235 S CA -0.077 57.922 58.200 -0.335 0.000 0.827 235 S CB 1.377 64.318 63.200 -0.431 0.000 1.130 235 S HN 1.257 nan 8.310 nan 0.000 0.467 236 V N -1.102 118.692 119.914 -0.200 0.000 3.160 236 V HA 0.940 5.059 4.120 -0.001 0.000 0.310 236 V C 0.194 176.206 176.094 -0.137 0.000 1.181 236 V CA -0.511 61.699 62.300 -0.151 0.000 1.047 236 V CB 1.122 32.872 31.823 -0.122 0.000 1.068 236 V HN 1.452 nan 8.190 nan 0.000 0.441 237 S N 0.505 116.137 115.700 -0.114 0.000 2.624 237 S HA 0.347 4.817 4.470 -0.001 0.000 0.263 237 S C 1.289 175.836 174.600 -0.089 0.000 1.287 237 S CA 0.024 58.162 58.200 -0.103 0.000 0.990 237 S CB 1.220 64.370 63.200 -0.084 0.000 0.950 237 S HN 2.073 nan 8.310 nan 0.000 0.561 238 V N -1.300 118.551 119.914 -0.105 0.000 2.515 238 V HA 0.010 4.130 4.120 -0.001 0.000 0.250 238 V C 2.578 178.653 176.094 -0.032 0.000 1.058 238 V CA 1.615 63.862 62.300 -0.088 0.000 1.064 238 V CB -2.061 29.630 31.823 -0.219 0.000 0.675 238 V HN 0.997 nan 8.190 nan 0.000 0.461 239 A N 0.691 123.488 122.820 -0.038 0.000 1.902 239 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 239 A C 2.220 179.782 177.584 -0.038 0.000 1.181 239 A CA 2.071 54.093 52.037 -0.024 0.000 0.623 239 A CB -0.634 18.350 19.000 -0.026 0.000 0.818 239 A HN 0.633 nan 8.150 nan 0.000 0.443 240 E N 0.061 120.227 120.200 -0.057 0.000 2.072 240 E HA -0.007 4.342 4.350 -0.001 0.000 0.191 240 E C 1.987 178.543 176.600 -0.074 0.000 0.985 240 E CA 1.494 57.846 56.400 -0.080 0.000 0.801 240 E CB -0.843 28.798 29.700 -0.098 0.000 0.750 240 E HN 0.375 nan 8.360 nan 0.000 0.452 241 G N 0.829 109.599 108.800 -0.049 0.000 2.446 241 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.217 241 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.217 241 G C 1.759 176.667 174.900 0.013 0.000 1.168 241 G CA 0.962 46.057 45.100 -0.010 0.000 0.771 241 G HN 0.339 nan 8.290 nan 0.000 0.551 242 R N 0.265 120.769 120.500 0.007 0.000 2.083 242 R HA -0.063 4.276 4.340 -0.001 0.000 0.237 242 R C 2.584 178.879 176.300 -0.008 0.000 1.137 242 R CA 1.656 57.760 56.100 0.007 0.000 0.951 242 R CB -0.396 29.913 30.300 0.014 0.000 0.851 242 R HN 0.323 nan 8.270 nan 0.000 0.434 243 R N 0.358 120.842 120.500 -0.027 0.000 2.083 243 R HA -0.158 4.181 4.340 -0.001 0.000 0.237 243 R C 2.282 178.556 176.300 -0.045 0.000 1.137 243 R CA 2.057 58.131 56.100 -0.043 0.000 0.951 243 R CB -0.119 30.140 30.300 -0.067 0.000 0.851 243 R HN 0.305 nan 8.270 nan 0.000 0.434 244 R N -0.370 120.094 120.500 -0.059 0.000 2.092 244 R HA -0.038 4.302 4.340 -0.001 0.000 0.231 244 R C 2.335 178.675 176.300 0.067 0.000 1.119 244 R CA 1.147 57.203 56.100 -0.074 0.000 0.970 244 R CB -0.278 29.884 30.300 -0.229 0.000 0.864 244 R HN 0.246 nan 8.270 nan 0.000 0.440 245 A N 0.828 123.715 122.820 0.111 0.000 1.902 245 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 245 A C 2.345 179.937 177.584 0.013 0.000 1.181 245 A CA 1.346 53.437 52.037 0.090 0.000 0.623 245 A CB -0.488 18.506 19.000 -0.010 0.000 0.818 245 A HN 0.107 nan 8.150 nan 0.000 0.443 246 V N -0.073 119.841 119.914 -0.001 0.000 2.358 246 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 246 V C 2.580 178.674 176.094 -0.000 0.000 1.047 246 V CA 2.327 64.622 62.300 -0.009 0.000 1.035 246 V CB -0.675 31.140 31.823 -0.012 0.000 0.658 246 V HN 0.682 nan 8.190 nan 0.000 0.452 247 E N 0.329 120.530 120.200 0.002 0.000 2.110 247 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 247 E C 1.942 178.559 176.600 0.029 0.000 0.988 247 E CA 1.263 57.665 56.400 0.003 0.000 0.804 247 E CB -0.449 29.238 29.700 -0.022 0.000 0.745 247 E HN 0.431 nan 8.360 nan 0.000 0.458 248 L N -0.137 121.125 121.223 0.066 0.000 2.012 248 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 248 L C 2.224 179.113 176.870 0.031 0.000 1.073 248 L CA 2.414 57.304 54.840 0.083 0.000 0.748 248 L CB -1.056 41.089 42.059 0.144 0.000 0.891 248 L HN 0.274 nan 8.230 nan 0.000 0.431 249 G N -1.103 107.700 108.800 0.006 0.000 2.440 249 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 249 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.218 249 G C 1.762 176.669 174.900 0.012 0.000 1.154 249 G CA 0.731 45.830 45.100 -0.001 0.000 0.767 249 G HN 0.333 nan 8.290 nan 0.000 0.552 250 R N 0.219 120.726 120.500 0.013 0.000 2.091 250 R HA -0.052 4.287 4.340 -0.001 0.000 0.238 250 R C 2.322 178.635 176.300 0.022 0.000 1.136 250 R CA 1.173 57.282 56.100 0.015 0.000 0.959 250 R CB -0.454 29.852 30.300 0.010 0.000 0.856 250 R HN 0.378 nan 8.270 nan 0.000 0.437 251 N N 0.596 119.313 118.700 0.029 0.000 2.364 251 N HA -0.120 4.620 4.740 -0.001 0.000 0.183 251 N C 1.189 176.722 175.510 0.038 0.000 1.022 251 N CA 0.902 53.975 53.050 0.038 0.000 0.883 251 N CB 0.124 38.641 38.487 0.051 0.000 0.965 251 N HN 0.222 nan 8.380 nan 0.000 0.438 252 L N 0.267 121.510 121.223 0.032 0.000 2.769 252 L HA 0.190 4.530 4.340 -0.001 0.000 0.240 252 L C -0.457 176.430 176.870 0.027 0.000 1.163 252 L CA -0.103 54.756 54.840 0.032 0.000 0.962 252 L CB -0.188 41.888 42.059 0.028 0.000 1.258 252 L HN 0.032 nan 8.230 nan 0.000 0.513 253 N N -1.232 117.483 118.700 0.026 0.000 2.740 253 N HA -0.178 4.562 4.740 -0.001 0.000 0.248 253 N C -0.170 175.355 175.510 0.025 0.000 1.062 253 N CA 0.329 53.393 53.050 0.024 0.000 0.704 253 N CB -1.721 36.781 38.487 0.025 0.000 0.968 253 N HN 0.283 nan 8.380 nan 0.000 0.547 254 c N 0.644 119.257 118.600 0.023 0.000 2.534 254 c HA 0.243 4.812 4.570 -0.001 0.000 0.385 254 c C 1.292 175.397 174.090 0.026 0.000 1.264 254 c CA -1.006 55.338 56.329 0.026 0.000 2.342 254 c CB 0.598 43.120 42.510 0.020 0.000 2.564 254 c HN 0.461 nan 8.230 nan 0.000 0.603 255 N N 1.655 120.376 118.700 0.035 0.000 2.440 255 N HA 0.066 4.806 4.740 -0.001 0.000 0.265 255 N C 0.041 175.564 175.510 0.022 0.000 1.239 255 N CA 0.349 53.416 53.050 0.029 0.000 0.909 255 N CB 0.350 38.860 38.487 0.037 0.000 1.066 255 N HN 0.614 nan 8.380 nan 0.000 0.474 256 L N 2.856 124.087 121.223 0.013 0.000 2.769 256 L HA 0.210 4.550 4.340 -0.001 0.000 0.240 256 L C 1.162 178.034 176.870 0.004 0.000 1.163 256 L CA -0.284 54.560 54.840 0.006 0.000 0.962 256 L CB -0.063 41.998 42.059 0.003 0.000 1.258 256 L HN 0.393 nan 8.230 nan 0.000 0.513 257 N N 0.473 119.176 118.700 0.006 0.000 2.396 257 N HA -0.053 4.687 4.740 -0.001 0.000 0.180 257 N C 0.720 176.230 175.510 0.000 0.000 1.028 257 N CA 0.744 53.796 53.050 0.003 0.000 0.893 257 N CB 0.263 38.752 38.487 0.003 0.000 0.967 257 N HN 0.441 nan 8.380 nan 0.000 0.440 258 S N -1.595 114.106 115.700 0.001 0.000 2.596 258 S HA 0.347 4.816 4.470 -0.001 0.000 0.270 258 S C -0.052 174.548 174.600 -0.001 0.000 1.155 258 S CA -0.843 57.357 58.200 -0.001 0.000 0.827 258 S CB 1.685 64.883 63.200 -0.002 0.000 1.130 258 S HN -0.247 nan 8.310 nan 0.000 0.467 259 D N 1.151 121.547 120.400 -0.006 0.000 2.133 259 D HA -0.081 4.559 4.640 -0.001 0.000 0.195 259 D C 1.534 177.836 176.300 0.004 0.000 0.997 259 D CA 1.895 55.888 54.000 -0.011 0.000 0.840 259 D CB -0.250 40.539 40.800 -0.017 0.000 0.947 259 D HN 0.690 nan 8.370 nan 0.000 0.452 260 E N 0.763 120.969 120.200 0.012 0.000 2.077 260 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 260 E C 2.060 178.692 176.600 0.054 0.000 0.989 260 E CA 0.957 57.374 56.400 0.029 0.000 0.800 260 E CB -0.219 29.487 29.700 0.011 0.000 0.746 260 E HN 0.428 nan 8.360 nan 0.000 0.452 261 E N -0.117 120.105 120.200 0.037 0.000 2.072 261 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 261 E C 1.920 178.570 176.600 0.084 0.000 0.985 261 E CA 0.610 57.045 56.400 0.058 0.000 0.801 261 E CB -0.091 29.627 29.700 0.029 0.000 0.750 261 E HN 0.085 nan 8.360 nan 0.000 0.452 262 L N 1.048 122.295 121.223 0.041 0.000 1.994 262 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 262 L C 1.986 178.867 176.870 0.019 0.000 1.071 262 L CA 1.611 56.461 54.840 0.016 0.000 0.745 262 L CB -0.338 41.708 42.059 -0.021 0.000 0.892 262 L HN 0.122 nan 8.230 nan 0.000 0.431 263 I N -0.924 119.661 120.570 0.024 0.000 2.226 263 I HA -0.341 3.829 4.170 -0.001 0.000 0.245 263 I C 2.542 178.739 176.117 0.133 0.000 1.100 263 I CA 1.621 62.954 61.300 0.055 0.000 1.374 263 I CB -0.503 37.534 38.000 0.061 0.000 1.057 263 I HN 0.473 nan 8.210 nan 0.000 0.413 264 H N 0.175 119.277 119.070 0.053 0.000 2.321 264 H HA -0.245 4.311 4.556 -0.001 0.000 0.300 264 H C 2.436 177.797 175.328 0.055 0.000 1.087 264 H CA 2.261 58.341 56.048 0.054 0.000 1.319 264 H CB -0.361 29.421 29.762 0.033 0.000 1.379 264 H HN 0.467 nan 8.280 nan 0.000 0.501 265 c N 0.211 118.833 118.600 0.037 0.000 2.413 265 c HA -0.123 4.446 4.570 -0.001 0.000 0.276 265 c C 2.744 176.815 174.090 -0.031 0.000 1.236 265 c CA 1.251 57.572 56.329 -0.013 0.000 1.735 265 c CB -1.456 41.083 42.510 0.048 0.000 2.031 265 c HN 0.686 nan 8.230 nan 0.000 0.474 266 L N 0.143 121.383 121.223 0.028 0.000 2.131 266 L HA -0.085 4.254 4.340 -0.001 0.000 0.210 266 L C 2.958 179.905 176.870 0.128 0.000 1.092 266 L CA 1.435 56.332 54.840 0.095 0.000 0.759 266 L CB -0.669 41.456 42.059 0.110 0.000 0.903 266 L HN 0.373 nan 8.230 nan 0.000 0.435 267 R N -0.133 120.412 120.500 0.076 0.000 2.189 267 R HA -0.085 4.254 4.340 -0.001 0.000 0.218 267 R C 1.865 178.110 176.300 -0.092 0.000 1.074 267 R CA 0.668 56.752 56.100 -0.027 0.000 0.991 267 R CB -0.013 30.270 30.300 -0.028 0.000 0.883 267 R HN 0.465 nan 8.270 nan 0.000 0.457 268 E N 0.414 120.532 120.200 -0.137 0.000 2.299 268 E HA -0.024 4.326 4.350 -0.001 0.000 0.193 268 E C 0.026 176.599 176.600 -0.044 0.000 0.998 268 E CA 0.464 56.792 56.400 -0.120 0.000 0.851 268 E CB 0.300 29.901 29.700 -0.165 0.000 0.795 268 E HN 0.050 nan 8.360 nan 0.000 0.492 269 K N 2.075 122.464 120.400 -0.018 0.000 2.295 269 K HA 0.144 4.464 4.320 -0.001 0.000 0.270 269 K C 0.131 176.754 176.600 0.038 0.000 1.011 269 K CA 0.124 56.421 56.287 0.017 0.000 0.953 269 K CB 0.618 33.137 32.500 0.031 0.000 0.956 269 K HN -0.043 nan 8.250 nan 0.000 0.477 270 K N 2.598 123.027 120.400 0.049 0.000 2.319 270 K HA 0.006 4.325 4.320 -0.001 0.000 0.265 270 K C -1.542 175.136 176.600 0.129 0.000 1.000 270 K CA -1.401 54.926 56.287 0.066 0.000 0.943 270 K CB 0.143 32.673 32.500 0.051 0.000 0.950 270 K HN 0.197 nan 8.250 nan 0.000 0.485 271 P HA -0.222 nan 4.420 nan 0.000 0.216 271 P C 1.130 178.625 177.300 0.325 0.000 1.153 271 P CA 1.238 64.547 63.100 0.350 0.000 0.858 271 P CB 0.255 32.003 31.700 0.079 0.000 0.789 272 Q N 0.270 120.176 119.800 0.177 0.000 2.226 272 Q HA -0.191 4.149 4.340 -0.001 0.000 0.204 272 Q C 1.916 178.009 176.000 0.156 0.000 0.975 272 Q CA 1.634 57.532 55.803 0.158 0.000 0.866 272 Q CB -0.817 27.981 28.738 0.100 0.000 0.915 272 Q HN 0.344 nan 8.270 nan 0.000 0.440 273 E N -0.808 119.471 120.200 0.130 0.000 2.110 273 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 273 E C 1.644 178.309 176.600 0.108 0.000 0.988 273 E CA 1.077 57.540 56.400 0.104 0.000 0.804 273 E CB -0.047 29.699 29.700 0.076 0.000 0.745 273 E HN 0.247 nan 8.360 nan 0.000 0.458 274 L N 0.556 121.846 121.223 0.111 0.000 2.027 274 L HA -0.144 4.195 4.340 -0.001 0.000 0.206 274 L C 2.232 179.173 176.870 0.119 0.000 1.074 274 L CA 1.405 56.274 54.840 0.049 0.000 0.745 274 L CB -0.459 41.525 42.059 -0.125 0.000 0.898 274 L HN 0.140 nan 8.230 nan 0.000 0.433 275 I N -0.463 120.238 120.570 0.217 0.000 2.226 275 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 275 I C 1.900 178.190 176.117 0.289 0.000 1.100 275 I CA 1.122 62.594 61.300 0.287 0.000 1.374 275 I CB -0.394 37.812 38.000 0.344 0.000 1.057 275 I HN 0.255 nan 8.210 nan 0.000 0.413 276 D N 0.183 120.724 120.400 0.235 0.000 2.218 276 D HA -0.119 4.521 4.640 -0.001 0.000 0.204 276 D C 1.908 178.336 176.300 0.212 0.000 0.976 276 D CA 1.462 55.597 54.000 0.224 0.000 0.853 276 D CB 0.040 40.935 40.800 0.159 0.000 0.939 276 D HN 0.396 nan 8.370 nan 0.000 0.481 277 V N -2.568 117.452 119.914 0.176 0.000 3.528 277 V HA 0.200 4.319 4.120 -0.001 0.000 0.294 277 V C 1.775 177.957 176.094 0.146 0.000 1.404 277 V CA 0.018 62.409 62.300 0.152 0.000 1.065 277 V CB 0.325 32.213 31.823 0.108 0.000 0.904 277 V HN -0.064 nan 8.190 nan 0.000 0.435 278 E N 0.835 121.118 120.200 0.138 0.000 2.086 278 E HA -0.283 4.066 4.350 -0.001 0.000 0.200 278 E C 1.593 178.114 176.600 -0.132 0.000 1.012 278 E CA 2.692 59.121 56.400 0.048 0.000 0.812 278 E CB -0.249 29.411 29.700 -0.067 0.000 0.743 278 E HN 0.806 nan 8.360 nan 0.000 0.453 279 W N 0.763 122.060 121.300 -0.005 0.000 2.699 279 W HA 0.013 4.673 4.660 -0.001 0.000 0.249 279 W C 1.655 178.135 176.519 -0.064 0.000 1.280 279 W CA 0.121 57.413 57.345 -0.087 0.000 1.345 279 W CB 0.023 29.397 29.460 -0.143 0.000 1.128 279 W HN 0.107 nan 8.180 nan 0.000 0.642 280 N N 0.141 118.928 118.700 0.145 0.000 2.550 280 N HA -0.095 4.645 4.740 -0.001 0.000 0.186 280 N C 1.689 177.208 175.510 0.014 0.000 1.110 280 N CA 1.366 54.465 53.050 0.082 0.000 0.912 280 N CB -0.482 38.053 38.487 0.081 0.000 0.968 280 N HN 0.258 nan 8.380 nan 0.000 0.448 281 V N -2.350 117.537 119.914 -0.044 0.000 3.647 281 V HA 0.254 4.373 4.120 -0.001 0.000 0.279 281 V C 0.775 176.772 176.094 -0.163 0.000 1.314 281 V CA -0.109 62.125 62.300 -0.109 0.000 1.125 281 V CB -0.573 31.155 31.823 -0.159 0.000 0.907 281 V HN -0.024 nan 8.190 nan 0.000 0.434 282 L N 2.327 123.472 121.223 -0.130 0.000 2.485 282 L HA 0.214 4.554 4.340 -0.001 0.000 0.275 282 L C -0.415 176.348 176.870 -0.177 0.000 1.207 282 L CA -0.833 53.923 54.840 -0.140 0.000 0.855 282 L CB 0.686 42.724 42.059 -0.034 0.000 1.114 282 L HN 0.165 nan 8.230 nan 0.000 0.485 283 P HA 0.005 nan 4.420 nan 0.000 0.227 283 P C -0.279 176.686 177.300 -0.559 0.000 1.161 283 P CA 0.949 63.722 63.100 -0.544 0.000 0.788 283 P CB 0.322 31.482 31.700 -0.900 0.000 0.822 284 F N -0.398 119.546 119.950 -0.009 0.000 2.611 284 F HA 0.365 4.892 4.527 -0.001 0.000 0.324 284 F C 0.413 176.215 175.800 0.003 0.000 1.061 284 F CA -1.793 56.208 58.000 0.001 0.000 0.954 284 F CB 0.270 39.276 39.000 0.010 0.000 1.301 284 F HN -0.371 nan 8.300 nan 0.000 0.482 285 D N 1.510 122.044 120.400 0.224 0.000 2.342 285 D HA 0.336 4.975 4.640 -0.001 0.000 0.260 285 D C -0.659 175.704 176.300 0.106 0.000 1.278 285 D CA 0.424 54.496 54.000 0.120 0.000 0.910 285 D CB 0.138 40.986 40.800 0.080 0.000 1.079 285 D HN 0.581 nan 8.370 nan 0.000 0.496 286 S N 2.835 118.589 115.700 0.089 0.000 2.618 286 S HA 0.747 5.217 4.470 -0.001 0.000 0.277 286 S C -0.144 174.474 174.600 0.030 0.000 1.138 286 S CA -1.039 57.203 58.200 0.069 0.000 0.844 286 S CB 1.130 64.401 63.200 0.118 0.000 1.127 286 S HN 0.435 nan 8.310 nan 0.000 0.474 287 I N -2.460 118.121 120.570 0.018 0.000 2.910 287 I HA 0.769 4.939 4.170 -0.001 0.000 0.310 287 I C -0.316 175.794 176.117 -0.011 0.000 1.043 287 I CA -1.136 60.171 61.300 0.011 0.000 1.053 287 I CB 1.050 39.075 38.000 0.041 0.000 1.242 287 I HN 0.747 nan 8.210 nan 0.000 0.452 288 F N 1.829 121.591 119.950 -0.314 0.000 3.091 288 F HA -0.180 4.347 4.527 -0.001 0.000 0.288 288 F C -0.344 174.930 175.800 -0.877 0.000 0.907 288 F CA 0.603 58.147 58.000 -0.759 0.000 1.028 288 F CB -0.671 37.863 39.000 -0.776 0.000 1.022 288 F HN 0.593 nan 8.300 nan 0.000 0.665 289 R N 0.423 120.537 120.500 -0.644 0.000 2.628 289 R HA 0.647 4.986 4.340 -0.001 0.000 0.288 289 R C -0.920 175.024 176.300 -0.592 0.000 0.980 289 R CA -0.558 55.213 56.100 -0.548 0.000 0.891 289 R CB 1.375 31.604 30.300 -0.118 0.000 1.188 289 R HN -0.010 nan 8.270 nan 0.000 0.450 290 F N -0.864 119.170 119.950 0.140 0.000 2.563 290 F HA 0.397 4.924 4.527 -0.001 0.000 0.316 290 F C 1.523 177.210 175.800 -0.189 0.000 1.076 290 F CA -0.889 57.096 58.000 -0.025 0.000 0.921 290 F CB 1.691 40.789 39.000 0.163 0.000 1.209 290 F HN 0.335 nan 8.300 nan 0.000 0.462 291 S N 0.417 115.947 115.700 -0.283 0.000 2.345 291 S HA 0.037 4.507 4.470 -0.001 0.000 0.219 291 S C 0.017 174.166 174.600 -0.752 0.000 1.031 291 S CA 1.077 58.906 58.200 -0.618 0.000 0.984 291 S CB -0.189 62.481 63.200 -0.883 0.000 0.874 291 S HN 0.342 nan 8.310 nan 0.000 0.451 292 F N 1.883 121.835 119.950 0.003 0.000 2.347 292 F HA 0.541 5.067 4.527 -0.001 0.000 0.366 292 F C 0.001 175.825 175.800 0.040 0.000 1.107 292 F CA -1.010 57.032 58.000 0.070 0.000 1.058 292 F CB 1.091 40.168 39.000 0.128 0.000 1.236 292 F HN -0.095 nan 8.300 nan 0.000 0.456 293 V N 0.851 120.764 119.914 -0.002 0.000 3.141 293 V HA 0.755 4.875 4.120 -0.001 0.000 0.312 293 V C -2.887 172.936 176.094 -0.452 0.000 1.157 293 V CA -3.382 58.632 62.300 -0.478 0.000 1.041 293 V CB 2.038 33.700 31.823 -0.268 0.000 1.071 293 V HN 0.233 nan 8.190 nan 0.000 0.441 294 P HA 0.154 nan 4.420 nan 0.000 0.264 294 P C -0.736 176.476 177.300 -0.148 0.000 1.179 294 P CA 0.434 63.345 63.100 -0.314 0.000 0.763 294 P CB 0.452 31.880 31.700 -0.454 0.000 0.806 295 V N 5.073 124.997 119.914 0.016 0.000 2.555 295 V HA 0.240 4.360 4.120 -0.001 0.000 0.302 295 V C 0.315 176.449 176.094 0.067 0.000 1.038 295 V CA -0.722 61.576 62.300 -0.003 0.000 0.887 295 V CB 1.779 33.617 31.823 0.025 0.000 0.991 295 V HN 0.339 nan 8.190 nan 0.000 0.434 296 I N 5.408 125.948 120.570 -0.050 0.000 2.357 296 I HA 0.135 4.305 4.170 -0.001 0.000 0.300 296 I C 0.969 177.094 176.117 0.013 0.000 1.159 296 I CA 0.197 61.492 61.300 -0.009 0.000 1.339 296 I CB 0.024 37.940 38.000 -0.141 0.000 1.458 296 I HN 0.785 nan 8.210 nan 0.000 0.577 297 D N 3.360 123.839 120.400 0.131 0.000 2.379 297 D HA 0.059 4.698 4.640 -0.001 0.000 0.208 297 D C 1.359 177.678 176.300 0.031 0.000 1.065 297 D CA 0.635 54.626 54.000 -0.014 0.000 0.848 297 D CB 0.535 41.408 40.800 0.123 0.000 0.949 297 D HN 0.632 nan 8.370 nan 0.000 0.509 298 G N 0.843 109.705 108.800 0.103 0.000 2.162 298 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.260 298 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.260 298 G C 0.614 175.580 174.900 0.110 0.000 0.976 298 G CA 0.815 45.975 45.100 0.101 0.000 0.655 298 G HN 0.545 nan 8.290 nan 0.000 0.533 299 E N -1.709 118.569 120.200 0.130 0.000 3.312 299 E HA 0.352 4.701 4.350 -0.001 0.000 0.178 299 E C 1.791 178.412 176.600 0.036 0.000 1.204 299 E CA -0.077 56.376 56.400 0.088 0.000 1.335 299 E CB -0.168 29.600 29.700 0.112 0.000 1.680 299 E HN 0.227 nan 8.360 nan 0.000 0.503 300 F N 0.873 120.757 119.950 -0.110 0.000 2.095 300 F HA 0.008 4.535 4.527 -0.001 0.000 0.298 300 F C 0.177 175.677 175.800 -0.500 0.000 1.104 300 F CA 1.284 59.083 58.000 -0.334 0.000 1.232 300 F CB 0.195 38.915 39.000 -0.467 0.000 0.987 300 F HN -0.042 nan 8.300 nan 0.000 0.475 301 F N 1.488 121.591 119.950 0.254 0.000 2.347 301 F HA 0.343 4.870 4.527 -0.001 0.000 0.366 301 F C -1.506 174.332 175.800 0.063 0.000 1.107 301 F CA -2.893 55.188 58.000 0.135 0.000 1.058 301 F CB 0.542 39.620 39.000 0.129 0.000 1.236 301 F HN -0.216 nan 8.300 nan 0.000 0.456 302 P HA -0.065 nan 4.420 nan 0.000 0.217 302 P C 0.491 177.847 177.300 0.093 0.000 1.150 302 P CA 1.308 64.464 63.100 0.094 0.000 0.832 302 P CB 0.225 31.951 31.700 0.045 0.000 0.787 303 T N -4.194 110.424 114.554 0.105 0.000 2.693 303 T HA 0.458 4.808 4.350 -0.001 0.000 0.278 303 T C -0.048 174.691 174.700 0.065 0.000 0.994 303 T CA -0.603 61.538 62.100 0.068 0.000 1.033 303 T CB 0.891 69.784 68.868 0.043 0.000 1.342 303 T HN 0.051 nan 8.240 nan 0.000 0.538 304 S N 0.090 115.803 115.700 0.022 0.000 2.566 304 S HA 0.164 4.633 4.470 -0.001 0.000 0.280 304 S C 1.514 176.112 174.600 -0.004 0.000 1.343 304 S CA -0.722 57.468 58.200 -0.017 0.000 1.036 304 S CB -0.356 62.830 63.200 -0.024 0.000 0.866 304 S HN 0.653 nan 8.310 nan 0.000 0.526 305 L N 0.485 121.668 121.223 -0.066 0.000 2.042 305 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 305 L C 2.911 179.810 176.870 0.048 0.000 1.076 305 L CA 1.935 56.755 54.840 -0.034 0.000 0.749 305 L CB -0.775 41.199 42.059 -0.142 0.000 0.893 305 L HN 0.813 nan 8.230 nan 0.000 0.432 306 E N 0.731 120.951 120.200 0.034 0.000 2.077 306 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 306 E C 2.250 178.906 176.600 0.093 0.000 0.989 306 E CA 1.774 58.227 56.400 0.088 0.000 0.800 306 E CB -0.088 29.649 29.700 0.061 0.000 0.746 306 E HN 0.491 nan 8.360 nan 0.000 0.452 307 S N -0.328 115.409 115.700 0.062 0.000 2.383 307 S HA -0.159 4.311 4.470 -0.001 0.000 0.227 307 S C 2.141 176.779 174.600 0.063 0.000 1.026 307 S CA 1.255 59.488 58.200 0.055 0.000 0.981 307 S CB -0.409 62.811 63.200 0.033 0.000 0.818 307 S HN 0.251 nan 8.310 nan 0.000 0.472 308 M N 1.104 120.758 119.600 0.089 0.000 2.080 308 M HA -0.014 4.466 4.480 -0.001 0.000 0.260 308 M C 2.265 178.687 176.300 0.203 0.000 1.068 308 M CA 1.546 56.921 55.300 0.124 0.000 1.109 308 M CB -0.732 31.977 32.600 0.182 0.000 1.342 308 M HN 0.294 nan 8.290 nan 0.000 0.405 309 L N -0.123 121.243 121.223 0.239 0.000 2.093 309 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 309 L C 2.210 179.241 176.870 0.269 0.000 1.085 309 L CA 0.855 55.880 54.840 0.309 0.000 0.755 309 L CB -0.757 41.404 42.059 0.170 0.000 0.904 309 L HN 0.352 nan 8.230 nan 0.000 0.435 310 N N -0.252 118.546 118.700 0.163 0.000 2.188 310 N HA -0.136 4.604 4.740 -0.001 0.000 0.184 310 N C 1.934 177.510 175.510 0.110 0.000 1.018 310 N CA 1.701 54.840 53.050 0.148 0.000 0.858 310 N CB -0.144 38.410 38.487 0.111 0.000 0.989 310 N HN 0.329 nan 8.380 nan 0.000 0.426 311 S N -1.169 114.513 115.700 -0.029 0.000 2.575 311 S HA 0.254 4.723 4.470 -0.001 0.000 0.215 311 S C 1.270 175.479 174.600 -0.652 0.000 0.966 311 S CA 0.395 58.492 58.200 -0.172 0.000 0.911 311 S CB 0.153 63.281 63.200 -0.120 0.000 0.780 311 S HN 0.382 nan 8.310 nan 0.000 0.514 312 G N 2.013 110.195 108.800 -1.029 0.000 2.176 312 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.252 312 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.252 312 G C -0.026 174.001 174.900 -1.455 0.000 1.024 312 G CA 0.093 43.916 45.100 -2.128 0.000 0.755 312 G HN 0.593 nan 8.290 nan 0.000 0.507 313 N N 0.591 118.872 118.700 -0.698 0.000 2.895 313 N HA 0.510 5.249 4.740 -0.001 0.000 0.277 313 N C -0.128 175.324 175.510 -0.097 0.000 1.185 313 N CA -0.123 52.717 53.050 -0.349 0.000 1.106 313 N CB -0.849 37.559 38.487 -0.132 0.000 1.422 313 N HN 0.671 nan 8.380 nan 0.000 0.521 314 F N -1.214 118.679 119.950 -0.095 0.000 2.807 314 F HA 0.410 4.937 4.527 -0.000 0.000 0.316 314 F C -0.262 175.552 175.800 0.024 0.000 1.162 314 F CA -1.446 56.570 58.000 0.027 0.000 0.910 314 F CB 0.654 39.740 39.000 0.144 0.000 1.314 314 F HN -0.173 nan 8.300 nan 0.000 0.454 315 K N 1.834 122.473 120.400 0.398 0.000 2.447 315 K HA 0.185 4.504 4.320 -0.001 0.000 0.281 315 K C -0.970 175.875 176.600 0.409 0.000 1.031 315 K CA -0.146 56.297 56.287 0.259 0.000 1.019 315 K CB 0.477 33.075 32.500 0.164 0.000 0.918 315 K HN 0.725 nan 8.250 nan 0.000 0.476 316 K N 3.195 123.710 120.400 0.192 0.000 2.264 316 K HA 0.155 4.475 4.320 -0.001 0.000 0.277 316 K C -0.242 176.478 176.600 0.200 0.000 1.067 316 K CA -0.344 56.053 56.287 0.184 0.000 0.900 316 K CB 1.739 34.257 32.500 0.030 0.000 1.124 316 K HN 0.621 nan 8.250 nan 0.000 0.469 317 T N 1.387 116.148 114.554 0.344 0.000 2.630 317 T HA 0.206 4.556 4.350 -0.001 0.000 0.300 317 T C -1.501 173.402 174.700 0.338 0.000 1.261 317 T CA -0.674 61.579 62.100 0.256 0.000 1.060 317 T CB 0.917 69.901 68.868 0.193 0.000 1.670 317 T HN 0.402 nan 8.240 nan 0.000 0.473 318 Q N 1.184 121.145 119.800 0.269 0.000 2.230 318 Q HA 0.730 5.070 4.340 -0.001 0.000 0.253 318 Q C -0.321 175.963 176.000 0.474 0.000 0.919 318 Q CA -0.444 55.573 55.803 0.356 0.000 0.908 318 Q CB 1.222 30.139 28.738 0.299 0.000 1.245 318 Q HN 0.672 nan 8.270 nan 0.000 0.437 319 I N -1.257 119.538 120.570 0.374 0.000 2.730 319 I HA 0.714 4.884 4.170 -0.001 0.000 0.298 319 I C -1.409 174.601 176.117 -0.180 0.000 1.089 319 I CA -1.402 59.983 61.300 0.142 0.000 1.041 319 I CB 1.817 39.727 38.000 -0.151 0.000 1.235 319 I HN 0.543 nan 8.210 nan 0.000 0.423 320 L N 6.934 127.799 121.223 -0.596 0.000 2.385 320 L HA 0.816 5.155 4.340 -0.001 0.000 0.273 320 L C -1.249 175.415 176.870 -0.343 0.000 0.990 320 L CA -0.545 53.852 54.840 -0.740 0.000 0.821 320 L CB 1.704 42.794 42.059 -1.615 0.000 1.279 320 L HN 0.880 nan 8.230 nan 0.000 0.412 321 L N 2.474 123.636 121.223 -0.102 0.000 2.892 321 L HA 1.094 5.433 4.340 -0.001 0.000 0.269 321 L C -0.797 175.889 176.870 -0.307 0.000 1.058 321 L CA -0.293 54.517 54.840 -0.049 0.000 0.923 321 L CB 1.753 43.764 42.059 -0.080 0.000 1.518 321 L HN 0.725 nan 8.230 nan 0.000 0.402 322 G N -0.222 108.212 108.800 -0.609 0.000 2.317 322 G HA2 0.548 4.508 3.960 -0.001 0.000 0.293 322 G HA3 0.548 4.508 3.960 -0.001 0.000 0.293 322 G C -1.556 172.984 174.900 -0.601 0.000 1.287 322 G CA 0.046 44.477 45.100 -1.115 0.000 0.850 322 G HN 1.699 nan 8.290 nan 0.000 0.515 323 V N -2.633 117.075 119.914 -0.342 0.000 3.181 323 V HA 0.890 5.009 4.120 -0.001 0.000 0.308 323 V C -0.961 175.215 176.094 0.136 0.000 1.214 323 V CA -1.398 60.929 62.300 0.044 0.000 1.053 323 V CB 1.829 33.706 31.823 0.089 0.000 1.069 323 V HN 0.766 nan 8.190 nan 0.000 0.441 324 N N 0.792 119.585 118.700 0.156 0.000 2.482 324 N HA 0.441 5.180 4.740 -0.001 0.000 0.279 324 N C 0.599 176.036 175.510 -0.122 0.000 1.182 324 N CA -0.424 52.683 53.050 0.095 0.000 0.969 324 N CB 1.660 40.315 38.487 0.280 0.000 1.201 324 N HN 0.942 nan 8.380 nan 0.000 0.523 325 K N -0.022 120.224 120.400 -0.257 0.000 2.057 325 K HA -0.054 4.266 4.320 -0.001 0.000 0.207 325 K C -0.638 176.055 176.600 0.156 0.000 1.049 325 K CA 1.264 57.502 56.287 -0.082 0.000 0.931 325 K CB 0.196 32.697 32.500 0.001 0.000 0.714 325 K HN 0.509 nan 8.250 nan 0.000 0.440 326 D N 1.442 121.925 120.400 0.138 0.000 2.551 326 D HA 0.042 4.681 4.640 -0.001 0.000 0.294 326 D C 0.004 176.419 176.300 0.192 0.000 1.201 326 D CA -0.090 54.008 54.000 0.163 0.000 0.941 326 D CB 1.424 42.293 40.800 0.115 0.000 0.995 326 D HN 0.184 nan 8.370 nan 0.000 0.502 327 E N 0.499 120.836 120.200 0.227 0.000 2.208 327 E HA -0.065 4.284 4.350 -0.001 0.000 0.193 327 E C 1.965 178.739 176.600 0.289 0.000 0.988 327 E CA 0.337 56.910 56.400 0.289 0.000 0.828 327 E CB 0.249 30.104 29.700 0.257 0.000 0.763 327 E HN 0.447 nan 8.360 nan 0.000 0.478 328 G N 1.313 110.252 108.800 0.232 0.000 2.494 328 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.216 328 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.216 328 G C 1.759 176.805 174.900 0.243 0.000 1.140 328 G CA 0.851 46.097 45.100 0.243 0.000 0.801 328 G HN 0.364 nan 8.290 nan 0.000 0.536 329 S N 0.459 116.262 115.700 0.172 0.000 2.382 329 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 329 S C 2.074 176.680 174.600 0.009 0.000 1.027 329 S CA 0.785 59.050 58.200 0.108 0.000 0.991 329 S CB -0.506 62.676 63.200 -0.030 0.000 0.823 329 S HN 0.103 nan 8.310 nan 0.000 0.469 330 F N 2.068 121.885 119.950 -0.221 0.000 2.095 330 F HA 0.031 4.558 4.527 -0.001 0.000 0.298 330 F C 1.853 177.377 175.800 -0.459 0.000 1.104 330 F CA 0.471 58.172 58.000 -0.498 0.000 1.232 330 F CB -0.918 37.585 39.000 -0.828 0.000 0.987 330 F HN 0.200 nan 8.300 nan 0.000 0.475 331 F N -0.817 119.135 119.950 0.003 0.000 2.293 331 F HA -0.066 4.460 4.527 -0.001 0.000 0.297 331 F C 2.265 178.031 175.800 -0.056 0.000 1.089 331 F CA 0.595 58.526 58.000 -0.117 0.000 1.377 331 F CB -1.030 37.800 39.000 -0.283 0.000 1.051 331 F HN -0.142 nan 8.300 nan 0.000 0.511 332 L N -0.481 120.753 121.223 0.018 0.000 2.017 332 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 332 L C 2.498 179.255 176.870 -0.189 0.000 1.073 332 L CA 0.817 55.440 54.840 -0.361 0.000 0.745 332 L CB -0.747 40.751 42.059 -0.936 0.000 0.894 332 L HN 0.171 nan 8.230 nan 0.000 0.432 333 L N -1.017 120.303 121.223 0.162 0.000 2.013 333 L HA -0.281 4.058 4.340 -0.001 0.000 0.212 333 L C 2.328 179.389 176.870 0.318 0.000 1.073 333 L CA 2.050 57.152 54.840 0.436 0.000 0.753 333 L CB -0.686 41.660 42.059 0.478 0.000 0.890 333 L HN 0.126 nan 8.230 nan 0.000 0.432 334 Y N -0.807 119.566 120.300 0.121 0.000 2.420 334 Y HA 0.166 4.715 4.550 -0.001 0.000 0.292 334 Y C 2.324 178.225 175.900 0.002 0.000 1.119 334 Y CA 1.139 59.273 58.100 0.058 0.000 1.229 334 Y CB -0.257 38.180 38.460 -0.039 0.000 1.026 334 Y HN 0.285 nan 8.280 nan 0.000 0.554 335 G N -1.715 107.171 108.800 0.143 0.000 3.104 335 G HA2 0.454 4.414 3.960 -0.001 0.000 0.237 335 G HA3 0.454 4.414 3.960 -0.001 0.000 0.237 335 G C -0.076 174.856 174.900 0.052 0.000 1.035 335 G CA 0.455 45.592 45.100 0.063 0.000 0.844 335 G HN 0.260 nan 8.290 nan 0.000 0.531 336 A N 1.377 124.242 122.820 0.075 0.000 2.342 336 A HA 0.812 5.132 4.320 -0.001 0.000 0.323 336 A C -2.663 175.076 177.584 0.258 0.000 1.125 336 A CA -1.572 50.541 52.037 0.127 0.000 0.785 336 A CB 1.658 20.693 19.000 0.059 0.000 1.221 336 A HN 0.039 nan 8.150 nan 0.000 0.463 337 P HA 0.295 nan 4.420 nan 0.000 0.268 337 P C 0.876 178.255 177.300 0.132 0.000 1.205 337 P CA 1.466 64.647 63.100 0.135 0.000 0.771 337 P CB 1.114 32.858 31.700 0.073 0.000 0.858 338 G N 1.444 110.257 108.800 0.021 0.000 2.234 338 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.235 338 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.235 338 G C -0.265 174.432 174.900 -0.338 0.000 0.997 338 G CA -0.476 44.514 45.100 -0.182 0.000 0.623 338 G HN 0.430 nan 8.290 nan 0.000 0.514 339 F N 2.560 122.454 119.950 -0.093 0.000 2.415 339 F HA 0.661 5.187 4.527 -0.001 0.000 0.348 339 F C 0.786 176.604 175.800 0.029 0.000 1.119 339 F CA 0.011 57.929 58.000 -0.137 0.000 1.069 339 F CB 2.097 41.070 39.000 -0.045 0.000 1.124 339 F HN 0.306 nan 8.300 nan 0.000 0.472 340 S N 1.718 117.545 115.700 0.212 0.000 2.588 340 S HA 0.393 4.863 4.470 -0.001 0.000 0.275 340 S C 0.385 175.229 174.600 0.406 0.000 1.130 340 S CA -1.170 57.199 58.200 0.282 0.000 0.855 340 S CB 2.170 65.456 63.200 0.142 0.000 1.116 340 S HN 0.661 nan 8.310 nan 0.000 0.472 341 K N -0.075 120.508 120.400 0.304 0.000 2.097 341 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 341 K C -0.085 176.589 176.600 0.123 0.000 1.050 341 K CA 1.597 57.972 56.287 0.147 0.000 0.938 341 K CB -0.126 32.165 32.500 -0.349 0.000 0.718 341 K HN 0.606 nan 8.250 nan 0.000 0.442 342 D N 0.161 120.615 120.400 0.090 0.000 2.424 342 D HA 0.028 4.668 4.640 -0.001 0.000 0.220 342 D C -0.140 176.207 176.300 0.079 0.000 1.150 342 D CA 0.109 54.136 54.000 0.046 0.000 0.831 342 D CB 0.844 41.637 40.800 -0.011 0.000 0.981 342 D HN 0.152 nan 8.370 nan 0.000 0.500 343 S N -1.086 114.689 115.700 0.126 0.000 2.667 343 S HA 0.326 4.796 4.470 -0.001 0.000 0.292 343 S C 0.748 175.395 174.600 0.079 0.000 1.126 343 S CA -0.696 57.542 58.200 0.062 0.000 0.881 343 S CB 2.337 65.528 63.200 -0.016 0.000 1.132 343 S HN -0.147 nan 8.310 nan 0.000 0.492 344 E N 0.867 121.069 120.200 0.004 0.000 2.472 344 E HA 0.022 4.371 4.350 -0.001 0.000 0.200 344 E C -0.243 176.123 176.600 -0.390 0.000 1.046 344 E CA 0.586 56.967 56.400 -0.032 0.000 0.871 344 E CB -0.298 29.395 29.700 -0.012 0.000 0.806 344 E HN 0.712 nan 8.360 nan 0.000 0.533 345 S N 1.002 116.417 115.700 -0.475 0.000 3.631 345 S HA -0.183 4.287 4.470 -0.001 0.000 0.366 345 S C -0.212 173.999 174.600 -0.649 0.000 0.993 345 S CA 0.639 58.400 58.200 -0.731 0.000 1.167 345 S CB -1.172 61.204 63.200 -1.373 0.000 0.909 345 S HN 0.296 nan 8.310 nan 0.000 0.478 346 K N 0.770 120.940 120.400 -0.383 0.000 2.401 346 K HA 0.221 4.541 4.320 -0.001 0.000 0.278 346 K C 0.256 176.663 176.600 -0.322 0.000 1.018 346 K CA 0.038 56.152 56.287 -0.288 0.000 0.981 346 K CB 0.346 32.742 32.500 -0.173 0.000 0.933 346 K HN 0.203 nan 8.250 nan 0.000 0.477 347 I N 2.869 123.267 120.570 -0.286 0.000 2.362 347 I HA 0.040 4.210 4.170 -0.001 0.000 0.289 347 I C 0.827 176.867 176.117 -0.128 0.000 0.994 347 I CA -0.367 60.775 61.300 -0.263 0.000 1.158 347 I CB 1.111 38.948 38.000 -0.272 0.000 1.315 347 I HN 0.672 nan 8.210 nan 0.000 0.451 348 S N 6.002 121.642 115.700 -0.100 0.000 2.589 348 S HA 0.168 4.638 4.470 -0.001 0.000 0.265 348 S C 1.251 175.850 174.600 -0.001 0.000 1.342 348 S CA -0.299 57.869 58.200 -0.054 0.000 1.005 348 S CB 1.359 64.534 63.200 -0.041 0.000 0.909 348 S HN 0.628 nan 8.310 nan 0.000 0.555 349 R N 1.014 121.508 120.500 -0.011 0.000 2.105 349 R HA -0.144 4.196 4.340 -0.001 0.000 0.239 349 R C 2.286 178.654 176.300 0.113 0.000 1.135 349 R CA 2.230 58.342 56.100 0.020 0.000 0.967 349 R CB -0.764 29.536 30.300 0.000 0.000 0.861 349 R HN 0.941 nan 8.270 nan 0.000 0.442 350 E N -0.398 119.846 120.200 0.073 0.000 2.072 350 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 350 E C 0.769 177.418 176.600 0.080 0.000 0.985 350 E CA 1.524 57.968 56.400 0.073 0.000 0.801 350 E CB -0.079 29.645 29.700 0.041 0.000 0.750 350 E HN 0.320 nan 8.360 nan 0.000 0.452 351 D N -0.182 120.258 120.400 0.067 0.000 2.234 351 D HA -0.082 4.558 4.640 -0.001 0.000 0.205 351 D C 1.522 177.893 176.300 0.118 0.000 0.962 351 D CA 0.347 54.384 54.000 0.062 0.000 0.855 351 D CB -0.315 40.482 40.800 -0.004 0.000 0.951 351 D HN 0.198 nan 8.370 nan 0.000 0.500 352 F N 1.318 121.268 119.950 -0.001 0.000 2.095 352 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 352 F C 2.163 177.984 175.800 0.036 0.000 1.104 352 F CA 1.325 59.337 58.000 0.021 0.000 1.232 352 F CB -0.089 38.900 39.000 -0.019 0.000 0.987 352 F HN -0.162 nan 8.300 nan 0.000 0.475 353 M N -0.444 119.246 119.600 0.150 0.000 2.117 353 M HA -0.179 4.300 4.480 -0.001 0.000 0.262 353 M C 2.347 178.636 176.300 -0.017 0.000 1.065 353 M CA 1.522 56.857 55.300 0.059 0.000 1.114 353 M CB -1.727 30.944 32.600 0.119 0.000 1.361 353 M HN 0.090 nan 8.290 nan 0.000 0.408 354 S N 0.875 116.581 115.700 0.011 0.000 2.370 354 S HA -0.089 4.380 4.470 -0.001 0.000 0.226 354 S C 2.101 176.686 174.600 -0.025 0.000 1.033 354 S CA 1.489 59.692 58.200 0.004 0.000 1.011 354 S CB -0.868 62.351 63.200 0.031 0.000 0.852 354 S HN 0.683 nan 8.310 nan 0.000 0.457 355 G N 1.306 110.083 108.800 -0.038 0.000 2.421 355 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.216 355 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.216 355 G C 1.471 176.269 174.900 -0.170 0.000 1.171 355 G CA 1.049 46.107 45.100 -0.069 0.000 0.775 355 G HN 0.420 nan 8.290 nan 0.000 0.543 356 V N 0.715 120.457 119.914 -0.287 0.000 2.332 356 V HA -0.181 3.939 4.120 -0.001 0.000 0.248 356 V C 2.723 178.730 176.094 -0.146 0.000 1.055 356 V CA 2.253 64.395 62.300 -0.264 0.000 1.038 356 V CB -0.393 31.256 31.823 -0.289 0.000 0.651 356 V HN 0.366 nan 8.190 nan 0.000 0.450 357 K N -0.335 120.000 120.400 -0.109 0.000 2.057 357 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 357 K C 2.119 178.668 176.600 -0.085 0.000 1.049 357 K CA 1.438 57.671 56.287 -0.089 0.000 0.931 357 K CB -0.185 32.282 32.500 -0.055 0.000 0.714 357 K HN 0.395 nan 8.250 nan 0.000 0.440 358 L N 0.334 121.521 121.223 -0.061 0.000 2.141 358 L HA -0.137 4.202 4.340 -0.001 0.000 0.209 358 L C 2.263 179.108 176.870 -0.042 0.000 1.094 358 L CA 0.956 55.775 54.840 -0.035 0.000 0.763 358 L CB -0.169 41.881 42.059 -0.014 0.000 0.908 358 L HN 0.098 nan 8.230 nan 0.000 0.437 359 S N -0.999 114.658 115.700 -0.072 0.000 2.436 359 S HA 0.000 4.470 4.470 -0.001 0.000 0.228 359 S C 0.935 175.473 174.600 -0.104 0.000 1.014 359 S CA 0.486 58.643 58.200 -0.071 0.000 0.950 359 S CB 0.257 63.395 63.200 -0.104 0.000 0.784 359 S HN 0.161 nan 8.310 nan 0.000 0.504 360 V N 2.873 122.693 119.914 -0.157 0.000 2.361 360 V HA 0.223 4.342 4.120 -0.001 0.000 0.252 360 V C -1.939 173.956 176.094 -0.331 0.000 0.986 360 V CA -1.261 60.870 62.300 -0.282 0.000 1.033 360 V CB 0.816 32.468 31.823 -0.285 0.000 1.282 360 V HN 0.175 nan 8.190 nan 0.000 0.514 361 P HA -0.134 nan 4.420 nan 0.000 0.223 361 P C 1.142 177.959 177.300 -0.805 0.000 1.151 361 P CA 1.283 64.165 63.100 -0.362 0.000 0.787 361 P CB 0.071 31.679 31.700 -0.152 0.000 0.788 362 H N -0.803 117.872 119.070 -0.660 0.000 2.547 362 H HA 0.404 4.959 4.556 -0.001 0.000 0.266 362 H C 0.477 175.600 175.328 -0.342 0.000 0.988 362 H CA -0.170 55.502 56.048 -0.627 0.000 1.147 362 H CB -0.620 28.995 29.762 -0.244 0.000 1.365 362 H HN -0.049 nan 8.280 nan 0.000 0.589 363 A N 2.443 124.874 122.820 -0.647 0.000 2.340 363 A HA 0.245 4.565 4.320 -0.001 0.000 0.268 363 A C 0.436 177.870 177.584 -0.249 0.000 1.100 363 A CA -0.440 51.344 52.037 -0.423 0.000 0.803 363 A CB 0.449 19.214 19.000 -0.391 0.000 1.043 363 A HN 0.656 nan 8.150 nan 0.000 0.488 364 N N 1.159 119.762 118.700 -0.162 0.000 2.322 364 N HA 0.096 4.835 4.740 -0.001 0.000 0.270 364 N C -0.082 175.380 175.510 -0.081 0.000 1.286 364 N CA -0.188 52.802 53.050 -0.101 0.000 0.948 364 N CB 0.071 38.517 38.487 -0.069 0.000 1.164 364 N HN 0.475 nan 8.380 nan 0.000 0.551 365 D N -0.842 119.530 120.400 -0.048 0.000 2.144 365 D HA -0.111 4.529 4.640 -0.001 0.000 0.199 365 D C 1.704 177.999 176.300 -0.009 0.000 0.984 365 D CA 0.732 54.718 54.000 -0.024 0.000 0.834 365 D CB -0.280 40.515 40.800 -0.009 0.000 0.955 365 D HN 0.447 nan 8.370 nan 0.000 0.465 366 L N 0.627 121.843 121.223 -0.013 0.000 2.042 366 L HA -0.020 4.320 4.340 -0.001 0.000 0.210 366 L C 2.164 179.040 176.870 0.011 0.000 1.076 366 L CA 2.052 56.895 54.840 0.005 0.000 0.749 366 L CB -0.910 41.146 42.059 -0.006 0.000 0.893 366 L HN 0.085 nan 8.230 nan 0.000 0.432 367 G N -0.589 108.190 108.800 -0.036 0.000 2.418 367 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 367 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 367 G C 1.592 176.495 174.900 0.005 0.000 1.158 367 G CA 1.054 46.125 45.100 -0.048 0.000 0.771 367 G HN 0.437 nan 8.290 nan 0.000 0.545 368 L N 0.479 121.690 121.223 -0.019 0.000 2.046 368 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 368 L C 2.537 179.449 176.870 0.070 0.000 1.077 368 L CA 1.235 56.078 54.840 0.006 0.000 0.747 368 L CB -0.433 41.614 42.059 -0.020 0.000 0.896 368 L HN 0.086 nan 8.230 nan 0.000 0.432 369 D N 0.276 120.723 120.400 0.079 0.000 2.123 369 D HA -0.172 4.468 4.640 -0.001 0.000 0.196 369 D C 2.238 178.628 176.300 0.150 0.000 0.992 369 D CA 1.525 55.594 54.000 0.116 0.000 0.833 369 D CB -0.098 40.758 40.800 0.094 0.000 0.954 369 D HN 0.325 nan 8.370 nan 0.000 0.455 370 A N 0.521 123.446 122.820 0.175 0.000 1.877 370 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 370 A C 2.541 180.235 177.584 0.183 0.000 1.186 370 A CA 1.427 53.627 52.037 0.273 0.000 0.620 370 A CB -0.803 18.468 19.000 0.451 0.000 0.822 370 A HN 0.150 nan 8.150 nan 0.000 0.443 371 V N -0.275 119.762 119.914 0.206 0.000 2.295 371 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 371 V C 2.753 178.931 176.094 0.139 0.000 1.049 371 V CA 2.515 64.868 62.300 0.089 0.000 1.024 371 V CB -1.394 30.515 31.823 0.144 0.000 0.648 371 V HN 0.609 nan 8.190 nan 0.000 0.447 372 T N 0.605 115.269 114.554 0.182 0.000 2.684 372 T HA -0.231 4.119 4.350 -0.001 0.000 0.267 372 T C 1.898 176.746 174.700 0.246 0.000 1.036 372 T CA 2.033 64.307 62.100 0.290 0.000 1.148 372 T CB -0.406 68.640 68.868 0.296 0.000 0.863 372 T HN 0.302 nan 8.240 nan 0.000 0.436 373 L N 1.097 122.441 121.223 0.202 0.000 2.046 373 L HA -0.043 4.297 4.340 -0.001 0.000 0.208 373 L C 2.471 179.353 176.870 0.021 0.000 1.077 373 L CA 1.802 56.763 54.840 0.201 0.000 0.747 373 L CB -0.779 41.373 42.059 0.154 0.000 0.896 373 L HN 0.119 nan 8.230 nan 0.000 0.432 374 Q N -1.436 118.275 119.800 -0.148 0.000 2.167 374 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 374 Q C 1.162 176.901 176.000 -0.435 0.000 0.970 374 Q CA 1.847 57.390 55.803 -0.434 0.000 0.855 374 Q CB -0.177 27.969 28.738 -0.986 0.000 0.911 374 Q HN 0.691 nan 8.270 nan 0.000 0.438 375 Y N -1.264 118.976 120.300 -0.099 0.000 2.531 375 Y HA 0.322 4.871 4.550 -0.001 0.000 0.249 375 Y C -0.180 175.677 175.900 -0.072 0.000 1.168 375 Y CA -0.202 57.901 58.100 0.005 0.000 1.226 375 Y CB 1.001 39.563 38.460 0.171 0.000 1.177 375 Y HN -0.182 nan 8.280 nan 0.000 0.527 376 T N 0.709 115.189 114.554 -0.122 0.000 2.767 376 T HA 0.081 4.430 4.350 -0.001 0.000 0.284 376 T C -0.719 173.685 174.700 -0.493 0.000 0.973 376 T CA -0.645 61.147 62.100 -0.514 0.000 0.996 376 T CB 0.984 69.268 68.868 -0.973 0.000 0.927 376 T HN -0.018 nan 8.240 nan 0.000 0.456 377 D N 1.987 122.128 120.400 -0.432 0.000 2.402 377 D HA 0.099 4.738 4.640 -0.001 0.000 0.235 377 D C 0.045 176.169 176.300 -0.295 0.000 1.226 377 D CA -0.634 53.207 54.000 -0.265 0.000 0.918 377 D CB 0.281 40.978 40.800 -0.171 0.000 1.043 377 D HN 0.626 nan 8.370 nan 0.000 0.506 378 W N 2.969 124.231 121.300 -0.063 0.000 2.961 378 W HA 0.033 4.692 4.660 -0.001 0.000 0.240 378 W C 1.925 178.416 176.519 -0.047 0.000 1.305 378 W CA -0.135 57.177 57.345 -0.056 0.000 1.465 378 W CB 0.044 29.477 29.460 -0.046 0.000 1.135 378 W HN 0.401 nan 8.180 nan 0.000 0.688 379 M N -0.682 118.992 119.600 0.123 0.000 2.595 379 M HA 0.009 4.488 4.480 -0.001 0.000 0.248 379 M C 0.114 176.432 176.300 0.030 0.000 1.119 379 M CA 1.191 56.534 55.300 0.072 0.000 1.079 379 M CB 0.187 32.809 32.600 0.037 0.000 1.472 379 M HN -0.215 nan 8.290 nan 0.000 0.501 380 D N 0.031 120.422 120.400 -0.014 0.000 3.602 380 D HA -0.011 4.628 4.640 -0.001 0.000 0.275 380 D C 0.033 176.252 176.300 -0.135 0.000 1.348 380 D CA 0.042 54.009 54.000 -0.055 0.000 0.768 380 D CB 0.225 40.992 40.800 -0.054 0.000 1.373 380 D HN 0.231 nan 8.370 nan 0.000 0.683 381 D N -0.947 119.364 120.400 -0.148 0.000 2.347 381 D HA -0.062 4.578 4.640 -0.001 0.000 0.215 381 D C 0.557 176.701 176.300 -0.260 0.000 0.976 381 D CA 0.024 53.825 54.000 -0.332 0.000 0.884 381 D CB 0.245 40.796 40.800 -0.416 0.000 0.915 381 D HN 0.115 nan 8.370 nan 0.000 0.526 382 N N 0.828 119.444 118.700 -0.141 0.000 2.235 382 N HA -0.031 4.709 4.740 -0.001 0.000 0.209 382 N C -0.061 175.383 175.510 -0.109 0.000 1.122 382 N CA -0.148 52.836 53.050 -0.110 0.000 0.845 382 N CB 0.065 38.520 38.487 -0.054 0.000 1.004 382 N HN 0.156 nan 8.380 nan 0.000 0.499 383 N N 0.817 119.439 118.700 -0.129 0.000 2.420 383 N HA 0.055 4.794 4.740 -0.001 0.000 0.262 383 N C 1.239 176.678 175.510 -0.118 0.000 1.144 383 N CA 0.065 53.051 53.050 -0.105 0.000 0.952 383 N CB 1.057 39.486 38.487 -0.097 0.000 1.081 383 N HN 0.129 nan 8.380 nan 0.000 0.480 384 G N 4.281 113.021 108.800 -0.099 0.000 2.422 384 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.218 384 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.218 384 G C 1.492 176.330 174.900 -0.104 0.000 1.140 384 G CA 0.345 45.377 45.100 -0.113 0.000 0.775 384 G HN 0.623 nan 8.290 nan 0.000 0.545 385 I N 0.940 121.468 120.570 -0.070 0.000 2.202 385 I HA -0.064 4.106 4.170 -0.001 0.000 0.242 385 I C 2.565 178.679 176.117 -0.005 0.000 1.091 385 I CA 1.128 62.411 61.300 -0.029 0.000 1.368 385 I CB -1.000 36.996 38.000 -0.006 0.000 1.058 385 I HN 0.183 nan 8.210 nan 0.000 0.410 386 K N 0.681 121.061 120.400 -0.033 0.000 2.057 386 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 386 K C 1.873 178.451 176.600 -0.037 0.000 1.049 386 K CA 1.317 57.583 56.287 -0.035 0.000 0.931 386 K CB -0.151 32.294 32.500 -0.090 0.000 0.714 386 K HN 0.302 nan 8.250 nan 0.000 0.440 387 N N 0.786 119.427 118.700 -0.098 0.000 2.142 387 N HA -0.158 4.582 4.740 -0.001 0.000 0.186 387 N C 1.714 177.349 175.510 0.208 0.000 1.023 387 N CA 0.963 53.979 53.050 -0.057 0.000 0.852 387 N CB -0.209 38.199 38.487 -0.133 0.000 0.998 387 N HN 0.200 nan 8.380 nan 0.000 0.424 388 R N 0.970 121.520 120.500 0.083 0.000 2.070 388 R HA -0.105 4.235 4.340 -0.001 0.000 0.233 388 R C 0.839 177.309 176.300 0.285 0.000 1.137 388 R CA 1.594 57.769 56.100 0.125 0.000 0.945 388 R CB -0.076 30.181 30.300 -0.072 0.000 0.845 388 R HN 0.092 nan 8.270 nan 0.000 0.430 389 D N -0.518 120.012 120.400 0.217 0.000 2.144 389 D HA -0.091 4.548 4.640 -0.001 0.000 0.199 389 D C 1.719 178.176 176.300 0.261 0.000 0.984 389 D CA 1.426 55.568 54.000 0.237 0.000 0.834 389 D CB -0.541 40.366 40.800 0.178 0.000 0.955 389 D HN 0.516 nan 8.370 nan 0.000 0.465 390 G N 0.749 109.718 108.800 0.281 0.000 2.440 390 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 390 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 390 G C 1.758 176.840 174.900 0.303 0.000 1.154 390 G CA 0.261 45.586 45.100 0.375 0.000 0.767 390 G HN 0.254 nan 8.290 nan 0.000 0.552 391 L N 0.335 121.752 121.223 0.324 0.000 2.056 391 L HA -0.059 4.281 4.340 -0.001 0.000 0.207 391 L C 2.618 179.547 176.870 0.098 0.000 1.078 391 L CA 1.588 56.510 54.840 0.138 0.000 0.749 391 L CB -0.373 41.835 42.059 0.248 0.000 0.901 391 L HN 0.312 nan 8.230 nan 0.000 0.433 392 D N -0.032 120.489 120.400 0.202 0.000 2.116 392 D HA -0.261 4.378 4.640 -0.001 0.000 0.193 392 D C 1.709 178.095 176.300 0.144 0.000 0.998 392 D CA 1.718 55.831 54.000 0.189 0.000 0.836 392 D CB 0.067 41.026 40.800 0.266 0.000 0.951 392 D HN 0.200 nan 8.370 nan 0.000 0.449 393 D N -0.257 120.244 120.400 0.169 0.000 2.097 393 D HA -0.127 4.513 4.640 -0.001 0.000 0.195 393 D C 2.324 178.637 176.300 0.022 0.000 0.989 393 D CA 0.703 54.818 54.000 0.192 0.000 0.827 393 D CB -0.306 40.720 40.800 0.376 0.000 0.966 393 D HN 0.392 nan 8.370 nan 0.000 0.456 394 I N 0.529 120.952 120.570 -0.245 0.000 2.163 394 I HA -0.260 3.909 4.170 -0.001 0.000 0.243 394 I C 2.478 178.457 176.117 -0.230 0.000 1.085 394 I CA 0.790 61.856 61.300 -0.390 0.000 1.347 394 I CB -0.159 37.590 38.000 -0.417 0.000 1.044 394 I HN -0.106 nan 8.210 nan 0.000 0.408 395 V N 0.716 120.550 119.914 -0.132 0.000 2.307 395 V HA -0.177 3.942 4.120 -0.001 0.000 0.245 395 V C 2.547 178.558 176.094 -0.137 0.000 1.045 395 V CA 2.112 64.351 62.300 -0.102 0.000 1.024 395 V CB -1.432 30.400 31.823 0.015 0.000 0.651 395 V HN 0.573 nan 8.190 nan 0.000 0.449 396 G N -0.130 108.650 108.800 -0.033 0.000 2.421 396 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.216 396 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.216 396 G C 1.237 176.082 174.900 -0.093 0.000 1.171 396 G CA 1.110 46.209 45.100 -0.002 0.000 0.775 396 G HN 0.496 nan 8.290 nan 0.000 0.543 397 D N -0.234 120.112 120.400 -0.091 0.000 2.097 397 D HA -0.097 4.543 4.640 -0.001 0.000 0.195 397 D C 2.095 178.074 176.300 -0.535 0.000 0.989 397 D CA 1.397 55.312 54.000 -0.142 0.000 0.827 397 D CB -0.523 40.354 40.800 0.129 0.000 0.966 397 D HN 0.446 nan 8.370 nan 0.000 0.456 398 H N 0.678 119.116 119.070 -1.054 0.000 2.357 398 H HA 0.033 4.588 4.556 -0.001 0.000 0.301 398 H C 1.483 176.421 175.328 -0.650 0.000 1.082 398 H CA 1.688 56.974 56.048 -1.270 0.000 1.342 398 H CB 0.099 28.958 29.762 -1.505 0.000 1.389 398 H HN -0.004 nan 8.280 nan 0.000 0.511 399 N N -0.852 117.404 118.700 -0.741 0.000 2.415 399 N HA 0.014 4.754 4.740 -0.001 0.000 0.174 399 N C 1.111 176.356 175.510 -0.441 0.000 1.048 399 N CA 0.988 53.545 53.050 -0.822 0.000 0.895 399 N CB 1.159 38.721 38.487 -1.541 0.000 1.036 399 N HN 0.262 nan 8.380 nan 0.000 0.449 400 V N 0.447 120.183 119.914 -0.296 0.000 3.278 400 V HA 0.170 4.289 4.120 -0.001 0.000 0.215 400 V C 2.030 178.099 176.094 -0.043 0.000 1.287 400 V CA -0.011 62.251 62.300 -0.063 0.000 1.302 400 V CB 0.143 32.008 31.823 0.069 0.000 1.228 400 V HN -0.064 nan 8.190 nan 0.000 0.523 401 I N 0.502 121.058 120.570 -0.023 0.000 2.163 401 I HA -0.249 3.921 4.170 -0.001 0.000 0.240 401 I C 2.532 178.660 176.117 0.017 0.000 1.081 401 I CA 1.737 63.053 61.300 0.027 0.000 1.353 401 I CB -0.427 37.627 38.000 0.090 0.000 1.054 401 I HN 0.385 nan 8.210 nan 0.000 0.407 402 c N 0.763 119.361 118.600 -0.003 0.000 2.446 402 c HA -0.024 4.545 4.570 -0.001 0.000 0.277 402 c C 0.256 174.375 174.090 0.048 0.000 1.275 402 c CA 0.598 56.967 56.329 0.067 0.000 1.727 402 c CB -1.912 40.696 42.510 0.163 0.000 2.010 402 c HN 0.357 nan 8.230 nan 0.000 0.486 403 P HA -0.120 nan 4.420 nan 0.000 0.215 403 P C 1.755 179.079 177.300 0.040 0.000 1.153 403 P CA 1.167 64.239 63.100 -0.047 0.000 0.853 403 P CB -0.229 31.352 31.700 -0.198 0.000 0.788 404 L N -1.784 119.441 121.223 0.002 0.000 2.046 404 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 404 L C 2.181 179.092 176.870 0.070 0.000 1.077 404 L CA 1.813 56.669 54.840 0.027 0.000 0.747 404 L CB -0.592 41.456 42.059 -0.019 0.000 0.896 404 L HN -0.116 nan 8.230 nan 0.000 0.432 405 M N -1.047 118.583 119.600 0.051 0.000 2.159 405 M HA -0.239 4.241 4.480 -0.001 0.000 0.263 405 M C 2.257 178.615 176.300 0.096 0.000 1.063 405 M CA 1.696 57.023 55.300 0.044 0.000 1.110 405 M CB -1.616 31.028 32.600 0.073 0.000 1.374 405 M HN 0.437 nan 8.290 nan 0.000 0.411 406 H N -0.344 118.762 119.070 0.060 0.000 2.357 406 H HA -0.155 4.400 4.556 -0.001 0.000 0.301 406 H C 1.836 177.209 175.328 0.076 0.000 1.082 406 H CA 1.891 57.982 56.048 0.071 0.000 1.342 406 H CB -0.296 29.507 29.762 0.067 0.000 1.389 406 H HN 0.225 nan 8.280 nan 0.000 0.511 407 F N 0.347 120.271 119.950 -0.044 0.000 2.095 407 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 407 F C 2.294 178.011 175.800 -0.139 0.000 1.104 407 F CA 1.605 59.534 58.000 -0.119 0.000 1.232 407 F CB -0.838 38.092 39.000 -0.118 0.000 0.987 407 F HN 0.064 nan 8.300 nan 0.000 0.475 408 V N 0.715 120.534 119.914 -0.158 0.000 2.282 408 V HA -0.388 3.731 4.120 -0.001 0.000 0.249 408 V C 2.010 177.931 176.094 -0.287 0.000 1.057 408 V CA 2.582 64.671 62.300 -0.352 0.000 1.032 408 V CB -0.964 30.555 31.823 -0.506 0.000 0.645 408 V HN 0.390 nan 8.190 nan 0.000 0.447 409 N N -0.564 118.047 118.700 -0.149 0.000 2.171 409 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 409 N C 1.853 177.330 175.510 -0.055 0.000 1.021 409 N CA 0.769 53.825 53.050 0.010 0.000 0.854 409 N CB -0.107 38.426 38.487 0.077 0.000 0.994 409 N HN 0.306 nan 8.380 nan 0.000 0.426 410 K N 0.126 120.414 120.400 -0.187 0.000 2.057 410 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 410 K C 1.765 178.346 176.600 -0.032 0.000 1.049 410 K CA 1.035 57.253 56.287 -0.114 0.000 0.931 410 K CB -0.600 31.784 32.500 -0.194 0.000 0.714 410 K HN 0.341 nan 8.250 nan 0.000 0.440 411 Y N 2.294 122.334 120.300 -0.433 0.000 2.163 411 Y HA -0.196 4.353 4.550 -0.001 0.000 0.288 411 Y C 2.264 178.139 175.900 -0.040 0.000 1.136 411 Y CA 1.869 59.675 58.100 -0.489 0.000 1.147 411 Y CB -0.390 37.460 38.460 -1.017 0.000 0.987 411 Y HN 0.017 nan 8.280 nan 0.000 0.509 412 T N 0.628 115.216 114.554 0.057 0.000 2.849 412 T HA -0.232 4.118 4.350 -0.001 0.000 0.270 412 T C 1.838 176.552 174.700 0.023 0.000 1.066 412 T CA 1.634 63.803 62.100 0.116 0.000 1.130 412 T CB -0.261 68.768 68.868 0.269 0.000 0.864 412 T HN 0.302 nan 8.240 nan 0.000 0.481 413 K N -0.096 120.290 120.400 -0.024 0.000 2.147 413 K HA -0.054 4.265 4.320 -0.001 0.000 0.205 413 K C 1.163 177.512 176.600 -0.418 0.000 1.049 413 K CA 1.336 57.489 56.287 -0.224 0.000 0.936 413 K CB -0.078 32.249 32.500 -0.287 0.000 0.722 413 K HN 0.383 nan 8.250 nan 0.000 0.446 414 F N -0.496 119.403 119.950 -0.084 0.000 2.727 414 F HA 0.272 4.798 4.527 -0.001 0.000 0.302 414 F C 1.341 177.034 175.800 -0.178 0.000 1.107 414 F CA -0.260 57.651 58.000 -0.149 0.000 1.277 414 F CB 0.366 39.208 39.000 -0.263 0.000 1.079 414 F HN -0.033 nan 8.300 nan 0.000 0.594 415 G N -0.222 108.525 108.800 -0.089 0.000 2.563 415 G HA2 0.015 3.974 3.960 -0.001 0.000 0.283 415 G HA3 0.015 3.974 3.960 -0.001 0.000 0.283 415 G C 0.269 175.213 174.900 0.074 0.000 1.309 415 G CA -0.382 44.666 45.100 -0.087 0.000 1.022 415 G HN 0.242 nan 8.290 nan 0.000 0.501 416 N N -0.600 118.197 118.700 0.162 0.000 2.234 416 N HA 0.283 5.023 4.740 -0.001 0.000 0.227 416 N C 0.277 175.866 175.510 0.131 0.000 1.151 416 N CA 0.463 53.585 53.050 0.119 0.000 0.865 416 N CB 0.406 38.956 38.487 0.106 0.000 1.066 416 N HN 0.874 nan 8.380 nan 0.000 0.515 417 G N 0.515 109.408 108.800 0.155 0.000 2.380 417 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.250 417 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.250 417 G C -1.268 173.674 174.900 0.070 0.000 1.578 417 G CA -0.778 44.370 45.100 0.079 0.000 0.974 417 G HN 0.014 nan 8.290 nan 0.000 0.680 418 T N 1.907 116.389 114.554 -0.119 0.000 2.812 418 T HA 0.652 5.002 4.350 -0.001 0.000 0.282 418 T C -1.088 173.375 174.700 -0.395 0.000 0.990 418 T CA -0.273 61.762 62.100 -0.109 0.000 0.960 418 T CB 1.098 69.986 68.868 0.032 0.000 0.948 418 T HN 0.411 nan 8.240 nan 0.000 0.438 419 Y N 2.340 122.565 120.300 -0.124 0.000 2.331 419 Y HA 0.639 5.189 4.550 -0.001 0.000 0.334 419 Y C -0.380 175.579 175.900 0.099 0.000 0.960 419 Y CA -1.184 56.791 58.100 -0.210 0.000 1.130 419 Y CB 1.383 39.233 38.460 -1.017 0.000 1.164 419 Y HN 0.419 nan 8.280 nan 0.000 0.458 420 L N 6.049 127.654 121.223 0.638 0.000 2.322 420 L HA 0.596 4.935 4.340 -0.001 0.000 0.281 420 L C -1.176 176.153 176.870 0.766 0.000 1.014 420 L CA -1.067 54.074 54.840 0.502 0.000 0.815 420 L CB 0.616 42.854 42.059 0.298 0.000 1.247 420 L HN 0.540 nan 8.230 nan 0.000 0.421 421 Y N 3.178 123.791 120.300 0.522 0.000 2.602 421 Y HA 0.727 5.277 4.550 -0.001 0.000 0.342 421 Y C -1.723 174.449 175.900 0.454 0.000 1.029 421 Y CA -1.994 56.346 58.100 0.401 0.000 1.080 421 Y CB 1.320 39.947 38.460 0.279 0.000 1.284 421 Y HN 0.524 nan 8.280 nan 0.000 0.485 422 F N 4.130 124.415 119.950 0.559 0.000 2.500 422 F HA 0.462 4.989 4.527 -0.001 0.000 0.349 422 F C -1.836 174.270 175.800 0.511 0.000 1.127 422 F CA -1.701 56.560 58.000 0.435 0.000 0.998 422 F CB 0.677 39.918 39.000 0.402 0.000 1.237 422 F HN 0.575 nan 8.300 nan 0.000 0.439 423 F N 7.967 127.975 119.950 0.098 0.000 2.421 423 F HA 0.303 4.829 4.527 -0.001 0.000 0.358 423 F C 0.195 175.852 175.800 -0.238 0.000 1.115 423 F CA -0.211 57.803 58.000 0.023 0.000 1.160 423 F CB 0.586 39.668 39.000 0.136 0.000 1.123 423 F HN 0.558 nan 8.300 nan 0.000 0.508 424 N N 3.380 121.712 118.700 -0.615 0.000 2.466 424 N HA 0.070 4.810 4.740 -0.001 0.000 0.272 424 N C -1.301 173.970 175.510 -0.398 0.000 1.455 424 N CA -0.498 52.311 53.050 -0.400 0.000 0.875 424 N CB -0.750 37.695 38.487 -0.069 0.000 1.372 424 N HN 0.636 nan 8.380 nan 0.000 0.492 425 H N 0.688 119.214 119.070 -0.907 0.000 2.519 425 H HA 0.521 5.077 4.556 -0.001 0.000 0.316 425 H C -0.343 174.818 175.328 -0.278 0.000 1.065 425 H CA -0.597 55.098 56.048 -0.589 0.000 1.264 425 H CB 1.005 30.320 29.762 -0.745 0.000 1.413 425 H HN 0.154 nan 8.280 nan 0.000 0.465 426 R N 4.175 124.257 120.500 -0.698 0.000 2.216 426 R HA 0.515 4.855 4.340 -0.001 0.000 0.332 426 R C -0.819 175.177 176.300 -0.507 0.000 1.056 426 R CA -0.301 55.562 56.100 -0.395 0.000 0.901 426 R CB 0.254 30.418 30.300 -0.227 0.000 1.039 426 R HN 0.720 nan 8.270 nan 0.000 0.456 427 A N 3.448 126.247 122.820 -0.035 0.000 2.477 427 A HA 0.136 4.456 4.320 -0.001 0.000 0.246 427 A C 1.228 178.881 177.584 0.116 0.000 1.078 427 A CA 0.313 52.513 52.037 0.272 0.000 0.770 427 A CB 0.208 19.537 19.000 0.548 0.000 1.011 427 A HN 1.074 nan 8.150 nan 0.000 0.494 428 S N 1.627 117.437 115.700 0.182 0.000 2.419 428 S HA -0.185 4.285 4.470 -0.001 0.000 0.233 428 S C 0.920 175.509 174.600 -0.018 0.000 1.016 428 S CA 1.357 59.602 58.200 0.074 0.000 0.974 428 S CB -0.436 62.833 63.200 0.115 0.000 0.786 428 S HN 0.942 nan 8.310 nan 0.000 0.492 429 N N 0.693 119.345 118.700 -0.080 0.000 2.238 429 N HA 0.203 4.942 4.740 -0.001 0.000 0.222 429 N C 0.007 175.430 175.510 -0.144 0.000 1.133 429 N CA -0.422 52.525 53.050 -0.172 0.000 0.854 429 N CB -0.377 37.896 38.487 -0.357 0.000 1.041 429 N HN 0.333 nan 8.380 nan 0.000 0.510 430 L N 1.912 123.092 121.223 -0.072 0.000 2.490 430 L HA 0.012 4.352 4.340 -0.001 0.000 0.274 430 L C 1.411 178.212 176.870 -0.115 0.000 1.201 430 L CA 0.285 55.085 54.840 -0.068 0.000 0.869 430 L CB 1.187 43.218 42.059 -0.047 0.000 1.123 430 L HN 0.166 nan 8.230 nan 0.000 0.484 431 V N 1.249 121.047 119.914 -0.194 0.000 3.354 431 V HA 0.045 4.165 4.120 -0.001 0.000 0.258 431 V C 0.678 176.681 176.094 -0.151 0.000 1.159 431 V CA -0.458 61.697 62.300 -0.241 0.000 1.125 431 V CB -0.735 30.805 31.823 -0.470 0.000 0.774 431 V HN 0.652 nan 8.190 nan 0.000 0.464 432 W N 1.939 123.181 121.300 -0.096 0.000 2.161 432 W HA 0.493 5.153 4.660 -0.001 0.000 0.344 432 W C -1.762 174.612 176.519 -0.241 0.000 1.262 432 W CA -2.063 55.180 57.345 -0.169 0.000 1.270 432 W CB -0.167 29.059 29.460 -0.389 0.000 1.126 432 W HN 0.003 nan 8.180 nan 0.000 0.598 433 P HA -0.062 nan 4.420 nan 0.000 0.269 433 P C 0.257 177.442 177.300 -0.192 0.000 1.215 433 P CA 0.222 63.258 63.100 -0.107 0.000 0.780 433 P CB 1.125 32.766 31.700 -0.098 0.000 0.898 434 E N 2.397 122.566 120.200 -0.053 0.000 2.130 434 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 434 E C 1.732 178.343 176.600 0.018 0.000 0.998 434 E CA 1.714 58.104 56.400 -0.016 0.000 0.806 434 E CB -0.659 29.068 29.700 0.045 0.000 0.738 434 E HN 0.641 nan 8.360 nan 0.000 0.459 435 W N -0.417 120.907 121.300 0.041 0.000 2.364 435 W HA -0.168 4.492 4.660 -0.001 0.000 0.281 435 W C 1.356 177.914 176.519 0.064 0.000 1.219 435 W CA 0.657 58.037 57.345 0.058 0.000 1.220 435 W CB -0.824 28.680 29.460 0.074 0.000 1.127 435 W HN 0.078 nan 8.180 nan 0.000 0.556 436 M N 1.273 120.516 119.600 -0.596 0.000 2.476 436 M HA 0.109 4.588 4.480 -0.001 0.000 0.262 436 M C 1.793 177.943 176.300 -0.251 0.000 1.079 436 M CA 1.708 56.610 55.300 -0.664 0.000 1.104 436 M CB -0.670 31.309 32.600 -1.035 0.000 1.409 436 M HN 0.206 nan 8.290 nan 0.000 0.467 437 G N 0.373 109.087 108.800 -0.144 0.000 2.556 437 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.283 437 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.283 437 G C -0.210 174.646 174.900 -0.072 0.000 1.177 437 G CA -0.229 44.839 45.100 -0.053 0.000 0.978 437 G HN 0.205 nan 8.290 nan 0.000 0.554 438 V N 1.853 121.764 119.914 -0.006 0.000 2.304 438 V HA 0.463 4.583 4.120 -0.001 0.000 0.262 438 V C 0.903 177.067 176.094 0.118 0.000 1.061 438 V CA -0.151 62.185 62.300 0.061 0.000 0.872 438 V CB 0.411 32.267 31.823 0.055 0.000 1.077 438 V HN 0.539 nan 8.190 nan 0.000 0.480 439 I N 2.983 123.602 120.570 0.082 0.000 2.581 439 I HA 0.206 4.376 4.170 -0.001 0.000 0.288 439 I C 0.879 177.209 176.117 0.355 0.000 1.047 439 I CA -0.706 60.634 61.300 0.066 0.000 1.374 439 I CB 0.376 38.169 38.000 -0.345 0.000 1.423 439 I HN 0.566 nan 8.210 nan 0.000 0.549 440 H N 4.529 123.748 119.070 0.247 0.000 3.237 440 H HA 0.043 4.598 4.556 -0.001 0.000 0.263 440 H C 0.972 176.491 175.328 0.317 0.000 0.854 440 H CA 1.235 57.464 56.048 0.301 0.000 1.416 440 H CB -0.173 29.801 29.762 0.354 0.000 1.432 440 H HN 0.772 nan 8.280 nan 0.000 0.529 441 G N 3.514 112.304 108.800 -0.016 0.000 2.213 441 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.226 441 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.226 441 G C 0.651 175.580 174.900 0.048 0.000 0.992 441 G CA 0.263 45.319 45.100 -0.073 0.000 0.632 441 G HN 0.612 nan 8.290 nan 0.000 0.511 442 Y N 1.555 122.009 120.300 0.256 0.000 2.466 442 Y HA 0.208 4.758 4.550 -0.001 0.000 0.272 442 Y C 2.396 178.414 175.900 0.196 0.000 1.169 442 Y CA 1.017 59.301 58.100 0.307 0.000 1.285 442 Y CB 0.435 39.090 38.460 0.325 0.000 1.078 442 Y HN 0.465 nan 8.280 nan 0.000 0.523 443 E N 0.537 120.685 120.200 -0.087 0.000 2.371 443 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 443 E C 1.622 178.141 176.600 -0.135 0.000 1.012 443 E CA 0.828 56.847 56.400 -0.635 0.000 0.860 443 E CB -0.463 28.574 29.700 -1.104 0.000 0.811 443 E HN 0.544 nan 8.360 nan 0.000 0.502 444 I N 2.483 123.082 120.570 0.049 0.000 2.226 444 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 444 I C 2.640 178.815 176.117 0.096 0.000 1.100 444 I CA 1.956 63.341 61.300 0.140 0.000 1.374 444 I CB -0.446 37.702 38.000 0.248 0.000 1.057 444 I HN 0.221 nan 8.210 nan 0.000 0.413 445 E N 0.981 121.191 120.200 0.016 0.000 2.153 445 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 445 E C 2.030 178.465 176.600 -0.275 0.000 0.988 445 E CA 1.410 57.734 56.400 -0.126 0.000 0.811 445 E CB -0.504 29.119 29.700 -0.128 0.000 0.746 445 E HN 0.425 nan 8.360 nan 0.000 0.466 446 F N 1.324 121.179 119.950 -0.159 0.000 2.187 446 F HA -0.061 4.466 4.527 -0.001 0.000 0.295 446 F C 2.438 178.065 175.800 -0.288 0.000 1.091 446 F CA 0.676 58.542 58.000 -0.223 0.000 1.308 446 F CB -0.280 38.629 39.000 -0.152 0.000 1.030 446 F HN -0.143 nan 8.300 nan 0.000 0.487 447 V N -0.961 118.856 119.914 -0.161 0.000 2.407 447 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 447 V C 1.676 177.574 176.094 -0.328 0.000 1.055 447 V CA 1.642 63.706 62.300 -0.394 0.000 1.049 447 V CB -0.671 30.935 31.823 -0.361 0.000 0.662 447 V HN 0.216 nan 8.190 nan 0.000 0.455 448 F N 0.337 120.157 119.950 -0.216 0.000 2.732 448 F HA 0.412 4.939 4.527 -0.001 0.000 0.303 448 F C 1.790 177.507 175.800 -0.139 0.000 1.110 448 F CA 0.621 58.523 58.000 -0.164 0.000 1.355 448 F CB -0.194 38.690 39.000 -0.194 0.000 1.081 448 F HN 0.257 nan 8.300 nan 0.000 0.565 449 G N 0.503 109.230 108.800 -0.123 0.000 2.160 449 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.251 449 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.251 449 G C 1.194 175.792 174.900 -0.504 0.000 1.008 449 G CA 0.430 45.385 45.100 -0.243 0.000 0.724 449 G HN 0.422 nan 8.290 nan 0.000 0.514 450 L N -0.455 120.451 121.223 -0.528 0.000 2.131 450 L HA -0.056 4.284 4.340 -0.001 0.000 0.210 450 L C 0.025 176.499 176.870 -0.659 0.000 1.092 450 L CA 1.835 56.312 54.840 -0.605 0.000 0.759 450 L CB -1.012 40.827 42.059 -0.367 0.000 0.903 450 L HN 0.191 nan 8.230 nan 0.000 0.435 451 P HA -0.107 nan 4.420 nan 0.000 0.239 451 P C 1.279 178.340 177.300 -0.398 0.000 1.184 451 P CA 0.791 63.319 63.100 -0.953 0.000 0.760 451 P CB 0.119 31.140 31.700 -1.130 0.000 0.884 452 L N -2.077 118.917 121.223 -0.382 0.000 2.509 452 L HA 0.011 4.351 4.340 -0.001 0.000 0.222 452 L C 0.684 177.430 176.870 -0.207 0.000 1.123 452 L CA 0.680 55.377 54.840 -0.239 0.000 0.856 452 L CB -0.524 41.414 42.059 -0.201 0.000 0.985 452 L HN -0.242 nan 8.230 nan 0.000 0.456 453 V N 0.252 120.002 119.914 -0.274 0.000 2.389 453 V HA 0.044 4.163 4.120 -0.001 0.000 0.264 453 V C 1.597 177.646 176.094 -0.074 0.000 1.049 453 V CA -0.352 61.839 62.300 -0.182 0.000 0.932 453 V CB 0.851 32.530 31.823 -0.240 0.000 1.011 453 V HN 0.289 nan 8.190 nan 0.000 0.475 454 K N 3.780 124.150 120.400 -0.050 0.000 2.034 454 K HA -0.253 4.067 4.320 -0.001 0.000 0.214 454 K C 1.604 178.187 176.600 -0.027 0.000 1.051 454 K CA 2.326 58.597 56.287 -0.028 0.000 0.931 454 K CB 0.124 32.609 32.500 -0.026 0.000 0.715 454 K HN 0.734 nan 8.250 nan 0.000 0.446 455 E N 0.498 120.676 120.200 -0.036 0.000 2.401 455 E HA -0.120 4.230 4.350 -0.001 0.000 0.199 455 E C 1.454 178.018 176.600 -0.061 0.000 1.023 455 E CA 0.699 57.072 56.400 -0.045 0.000 0.859 455 E CB 0.018 29.692 29.700 -0.042 0.000 0.780 455 E HN 0.385 nan 8.360 nan 0.000 0.523 456 L N 0.201 121.394 121.223 -0.050 0.000 2.558 456 L HA 0.096 4.436 4.340 -0.001 0.000 0.225 456 L C -0.041 176.716 176.870 -0.188 0.000 1.128 456 L CA -0.135 54.653 54.840 -0.087 0.000 0.868 456 L CB -0.165 41.900 42.059 0.011 0.000 1.006 456 L HN 0.104 nan 8.230 nan 0.000 0.454 457 N N -1.168 117.470 118.700 -0.103 0.000 2.780 457 N HA -0.216 4.524 4.740 -0.001 0.000 0.248 457 N C -0.557 174.858 175.510 -0.158 0.000 1.102 457 N CA 0.792 53.768 53.050 -0.123 0.000 0.697 457 N CB -1.768 36.626 38.487 -0.155 0.000 1.028 457 N HN 0.299 nan 8.380 nan 0.000 0.554 458 Y N 0.658 120.920 120.300 -0.063 0.000 2.298 458 Y HA 0.282 4.832 4.550 -0.001 0.000 0.329 458 Y C 1.933 177.828 175.900 -0.009 0.000 1.293 458 Y CA 0.075 58.155 58.100 -0.033 0.000 1.388 458 Y CB 0.540 38.950 38.460 -0.084 0.000 1.309 458 Y HN 0.095 nan 8.280 nan 0.000 0.544 459 T N -1.793 112.887 114.554 0.210 0.000 2.788 459 T HA 0.395 4.744 4.350 -0.001 0.000 0.287 459 T C 1.231 175.988 174.700 0.095 0.000 1.007 459 T CA -0.291 61.883 62.100 0.124 0.000 1.005 459 T CB 1.145 70.086 68.868 0.122 0.000 1.012 459 T HN 0.772 nan 8.240 nan 0.000 0.530 460 A N 0.763 123.616 122.820 0.055 0.000 1.908 460 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 460 A C 2.170 179.768 177.584 0.024 0.000 1.181 460 A CA 1.879 53.933 52.037 0.029 0.000 0.627 460 A CB -1.124 17.887 19.000 0.019 0.000 0.818 460 A HN 0.917 nan 8.150 nan 0.000 0.445 461 E N 0.021 120.240 120.200 0.033 0.000 2.150 461 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 461 E C 1.894 178.496 176.600 0.003 0.000 0.985 461 E CA 1.366 57.772 56.400 0.010 0.000 0.814 461 E CB -0.213 29.493 29.700 0.010 0.000 0.752 461 E HN 0.778 nan 8.360 nan 0.000 0.466 462 E N 0.323 120.563 120.200 0.067 0.000 2.107 462 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 462 E C 2.021 178.666 176.600 0.075 0.000 0.982 462 E CA 0.935 57.432 56.400 0.161 0.000 0.809 462 E CB -0.002 29.906 29.700 0.347 0.000 0.756 462 E HN 0.334 nan 8.360 nan 0.000 0.459 463 E N 1.051 121.242 120.200 -0.015 0.000 2.058 463 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 463 E C 2.010 178.581 176.600 -0.049 0.000 0.997 463 E CA 1.296 57.648 56.400 -0.081 0.000 0.801 463 E CB -0.104 29.558 29.700 -0.063 0.000 0.746 463 E HN 0.210 nan 8.360 nan 0.000 0.450 464 A N 1.005 123.809 122.820 -0.027 0.000 1.902 464 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 464 A C 2.193 179.756 177.584 -0.034 0.000 1.181 464 A CA 1.457 53.473 52.037 -0.035 0.000 0.623 464 A CB -0.788 18.194 19.000 -0.031 0.000 0.818 464 A HN 0.421 nan 8.150 nan 0.000 0.443 465 L N -0.096 121.119 121.223 -0.013 0.000 2.042 465 L HA -0.125 4.215 4.340 -0.001 0.000 0.210 465 L C 2.586 179.494 176.870 0.062 0.000 1.076 465 L CA 2.650 57.485 54.840 -0.009 0.000 0.749 465 L CB -0.933 41.070 42.059 -0.093 0.000 0.893 465 L HN 0.355 nan 8.230 nan 0.000 0.432 466 S N -0.770 115.017 115.700 0.145 0.000 2.356 466 S HA -0.213 4.256 4.470 -0.001 0.000 0.223 466 S C 2.179 176.750 174.600 -0.048 0.000 1.032 466 S CA 1.409 59.651 58.200 0.069 0.000 1.005 466 S CB -0.221 62.908 63.200 -0.117 0.000 0.867 466 S HN 0.540 nan 8.310 nan 0.000 0.449 467 R N 0.340 120.803 120.500 -0.061 0.000 2.081 467 R HA -0.038 4.302 4.340 -0.001 0.000 0.235 467 R C 2.734 178.987 176.300 -0.078 0.000 1.131 467 R CA 1.532 57.589 56.100 -0.070 0.000 0.960 467 R CB -0.345 29.909 30.300 -0.077 0.000 0.856 467 R HN 0.394 nan 8.270 nan 0.000 0.436 468 R N 0.904 121.339 120.500 -0.109 0.000 2.081 468 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 468 R C 2.157 178.311 176.300 -0.244 0.000 1.131 468 R CA 1.466 57.432 56.100 -0.223 0.000 0.960 468 R CB -0.182 30.002 30.300 -0.194 0.000 0.856 468 R HN 0.180 nan 8.270 nan 0.000 0.436 469 I N 0.281 120.799 120.570 -0.086 0.000 2.163 469 I HA -0.296 3.873 4.170 -0.001 0.000 0.240 469 I C 2.496 178.580 176.117 -0.055 0.000 1.081 469 I CA 1.275 62.542 61.300 -0.054 0.000 1.353 469 I CB -0.175 37.652 38.000 -0.288 0.000 1.054 469 I HN 0.260 nan 8.210 nan 0.000 0.407 470 M N -0.470 119.063 119.600 -0.112 0.000 2.144 470 M HA -0.295 4.184 4.480 -0.001 0.000 0.260 470 M C 2.425 178.788 176.300 0.105 0.000 1.067 470 M CA 1.893 57.160 55.300 -0.055 0.000 1.095 470 M CB -0.777 31.784 32.600 -0.066 0.000 1.365 470 M HN 0.306 nan 8.290 nan 0.000 0.406 471 H N -0.513 118.555 119.070 -0.004 0.000 2.395 471 H HA -0.125 4.430 4.556 -0.001 0.000 0.299 471 H C 1.565 176.990 175.328 0.163 0.000 1.070 471 H CA 1.819 57.877 56.048 0.016 0.000 1.356 471 H CB -0.022 29.692 29.762 -0.081 0.000 1.401 471 H HN 0.263 nan 8.280 nan 0.000 0.524 472 Y N -0.667 119.789 120.300 0.260 0.000 2.097 472 Y HA -0.282 4.268 4.550 -0.001 0.000 0.282 472 Y C 2.591 178.670 175.900 0.299 0.000 1.152 472 Y CA 1.259 59.551 58.100 0.320 0.000 1.136 472 Y CB -1.089 37.780 38.460 0.681 0.000 0.975 472 Y HN 0.368 nan 8.280 nan 0.000 0.498 473 W N -0.517 120.885 121.300 0.169 0.000 2.354 473 W HA -0.230 4.430 4.660 -0.001 0.000 0.315 473 W C 2.609 179.122 176.519 -0.010 0.000 1.206 473 W CA 1.229 58.604 57.345 0.049 0.000 1.290 473 W CB -0.555 28.880 29.460 -0.042 0.000 1.152 473 W HN 0.067 nan 8.180 nan 0.000 0.489 474 A N -0.081 122.838 122.820 0.165 0.000 1.930 474 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 474 A C 1.822 179.374 177.584 -0.054 0.000 1.175 474 A CA 2.189 54.234 52.037 0.013 0.000 0.627 474 A CB -1.142 17.856 19.000 -0.004 0.000 0.815 474 A HN 0.211 nan 8.150 nan 0.000 0.443 475 T N -0.809 113.672 114.554 -0.122 0.000 2.777 475 T HA -0.100 4.250 4.350 -0.001 0.000 0.266 475 T C 1.601 176.238 174.700 -0.104 0.000 1.040 475 T CA 1.434 63.429 62.100 -0.176 0.000 1.141 475 T CB -0.392 68.295 68.868 -0.300 0.000 0.868 475 T HN 0.486 nan 8.240 nan 0.000 0.444 476 F N 2.443 122.278 119.950 -0.192 0.000 2.095 476 F HA -0.079 4.447 4.527 -0.001 0.000 0.298 476 F C 2.449 178.152 175.800 -0.162 0.000 1.104 476 F CA 1.151 59.007 58.000 -0.240 0.000 1.232 476 F CB -0.665 38.126 39.000 -0.348 0.000 0.987 476 F HN 0.144 nan 8.300 nan 0.000 0.475 477 A N 0.127 122.871 122.820 -0.127 0.000 1.940 477 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 477 A C 2.220 179.674 177.584 -0.217 0.000 1.176 477 A CA 2.022 53.948 52.037 -0.185 0.000 0.631 477 A CB -0.692 18.264 19.000 -0.073 0.000 0.814 477 A HN 0.503 nan 8.150 nan 0.000 0.446 478 K N -1.217 119.082 120.400 -0.169 0.000 2.057 478 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 478 K C 1.843 178.346 176.600 -0.161 0.000 1.050 478 K CA 1.779 57.987 56.287 -0.132 0.000 0.935 478 K CB -0.079 32.363 32.500 -0.096 0.000 0.715 478 K HN 0.713 nan 8.250 nan 0.000 0.439 479 T N -5.380 109.042 114.554 -0.220 0.000 2.986 479 T HA 0.251 4.601 4.350 -0.001 0.000 0.264 479 T C 1.234 175.791 174.700 -0.239 0.000 0.964 479 T CA 0.308 62.298 62.100 -0.184 0.000 0.895 479 T CB 1.124 69.914 68.868 -0.129 0.000 1.163 479 T HN 0.256 nan 8.240 nan 0.000 0.517 480 G N 1.585 110.105 108.800 -0.467 0.000 2.157 480 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.248 480 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.248 480 G C -0.177 174.606 174.900 -0.194 0.000 0.979 480 G CA 0.066 44.851 45.100 -0.525 0.000 0.650 480 G HN 0.852 nan 8.290 nan 0.000 0.529 481 N N -0.328 118.256 118.700 -0.194 0.000 2.478 481 N HA 0.428 5.168 4.740 -0.001 0.000 0.291 481 N C -1.819 173.534 175.510 -0.262 0.000 1.090 481 N CA -1.463 51.457 53.050 -0.218 0.000 0.911 481 N CB 2.425 40.871 38.487 -0.068 0.000 1.546 481 N HN -0.067 nan 8.380 nan 0.000 0.500 482 P HA -0.014 nan 4.420 nan 0.000 0.233 482 P C -0.497 176.834 177.300 0.051 0.000 1.167 482 P CA 0.504 63.483 63.100 -0.201 0.000 0.770 482 P CB 0.311 31.704 31.700 -0.510 0.000 0.837 483 N N 1.850 120.537 118.700 -0.022 0.000 2.472 483 N HA 0.074 4.814 4.740 -0.001 0.000 0.277 483 N C 0.316 175.857 175.510 0.052 0.000 1.081 483 N CA -0.030 53.089 53.050 0.116 0.000 0.973 483 N CB 0.895 39.451 38.487 0.116 0.000 1.105 483 N HN 0.076 nan 8.380 nan 0.000 0.470 484 E N 2.509 122.761 120.200 0.087 0.000 2.417 484 E HA 0.102 4.451 4.350 -0.001 0.000 0.261 484 E C -2.001 174.568 176.600 -0.053 0.000 1.000 484 E CA -1.159 55.254 56.400 0.022 0.000 0.919 484 E CB 0.308 30.061 29.700 0.089 0.000 0.955 484 E HN 0.296 nan 8.360 nan 0.000 0.455 485 P HA -0.043 nan 4.420 nan 0.000 0.268 485 P C -0.173 176.843 177.300 -0.473 0.000 1.205 485 P CA 0.324 63.289 63.100 -0.225 0.000 0.771 485 P CB 0.120 31.675 31.700 -0.240 0.000 0.858 486 H N -0.292 118.815 119.070 0.062 0.000 2.655 486 H HA -0.164 4.392 4.556 -0.001 0.000 0.313 486 H C -0.752 174.611 175.328 0.058 0.000 1.141 486 H CA 0.323 56.404 56.048 0.055 0.000 1.138 486 H CB -2.098 27.690 29.762 0.043 0.000 1.446 486 H HN 0.444 nan 8.280 nan 0.000 0.415 487 S N -0.604 115.152 115.700 0.095 0.000 2.690 487 S HA 0.375 4.845 4.470 -0.001 0.000 0.291 487 S C 1.019 175.681 174.600 0.104 0.000 1.138 487 S CA -0.201 58.060 58.200 0.103 0.000 1.013 487 S CB 2.457 65.706 63.200 0.081 0.000 1.053 487 S HN 0.421 nan 8.310 nan 0.000 0.539 488 Q N 0.336 120.189 119.800 0.088 0.000 2.354 488 Q HA 0.237 4.577 4.340 -0.001 0.000 0.203 488 Q C 0.065 176.112 176.000 0.079 0.000 0.933 488 Q CA 0.495 56.344 55.803 0.077 0.000 0.901 488 Q CB -0.019 28.755 28.738 0.060 0.000 1.007 488 Q HN 0.627 nan 8.270 nan 0.000 0.495 489 E N 1.408 121.659 120.200 0.086 0.000 2.438 489 E HA 0.012 4.362 4.350 -0.001 0.000 0.261 489 E C -0.139 176.535 176.600 0.123 0.000 1.103 489 E CA 0.113 56.572 56.400 0.097 0.000 0.959 489 E CB 0.416 30.178 29.700 0.103 0.000 0.958 489 E HN 0.218 nan 8.360 nan 0.000 0.447 490 S N 1.626 117.401 115.700 0.125 0.000 2.549 490 S HA 0.144 4.614 4.470 -0.001 0.000 0.283 490 S C 0.201 174.916 174.600 0.192 0.000 1.320 490 S CA -0.473 57.805 58.200 0.130 0.000 1.058 490 S CB 0.672 63.932 63.200 0.100 0.000 0.882 490 S HN 0.213 nan 8.310 nan 0.000 0.498 491 K N 1.534 122.043 120.400 0.182 0.000 2.205 491 K HA 0.133 4.452 4.320 -0.001 0.000 0.279 491 K C -0.534 176.243 176.600 0.296 0.000 1.027 491 K CA -0.480 55.950 56.287 0.238 0.000 0.932 491 K CB 0.617 33.234 32.500 0.196 0.000 1.032 491 K HN 0.722 nan 8.250 nan 0.000 0.466 492 W N 7.184 128.551 121.300 0.112 0.000 2.481 492 W HA 0.158 4.818 4.660 -0.001 0.000 0.320 492 W C -2.386 174.265 176.519 0.220 0.000 1.209 492 W CA -2.687 54.714 57.345 0.094 0.000 1.400 492 W CB -0.085 29.319 29.460 -0.093 0.000 1.361 492 W HN 0.422 nan 8.180 nan 0.000 0.456 493 P HA 0.017 nan 4.420 nan 0.000 0.274 493 P C -0.397 177.115 177.300 0.354 0.000 1.231 493 P CA -0.572 62.755 63.100 0.378 0.000 0.790 493 P CB 1.334 33.172 31.700 0.231 0.000 0.951 494 L N 2.765 124.049 121.223 0.102 0.000 2.490 494 L HA 0.116 4.455 4.340 -0.001 0.000 0.274 494 L C 0.149 177.012 176.870 -0.011 0.000 1.201 494 L CA -0.217 54.490 54.840 -0.221 0.000 0.869 494 L CB -1.190 40.754 42.059 -0.193 0.000 1.123 494 L HN 0.256 nan 8.230 nan 0.000 0.484 495 F N 4.324 124.190 119.950 -0.140 0.000 2.472 495 F HA 0.406 4.933 4.527 -0.001 0.000 0.364 495 F C 0.464 176.242 175.800 -0.037 0.000 1.090 495 F CA -0.232 57.767 58.000 -0.002 0.000 1.188 495 F CB 0.455 39.480 39.000 0.043 0.000 1.105 495 F HN 0.634 nan 8.300 nan 0.000 0.536 496 T N 1.262 115.517 114.554 -0.498 0.000 2.908 496 T HA 0.270 4.620 4.350 -0.001 0.000 0.290 496 T C 0.933 175.311 174.700 -0.537 0.000 1.034 496 T CA -0.401 61.502 62.100 -0.328 0.000 1.010 496 T CB 1.503 70.259 68.868 -0.187 0.000 1.068 496 T HN 0.534 nan 8.240 nan 0.000 0.481 497 T N 0.783 115.212 114.554 -0.209 0.000 2.737 497 T HA -0.130 4.219 4.350 -0.001 0.000 0.269 497 T C 1.714 176.317 174.700 -0.160 0.000 1.040 497 T CA 1.727 63.750 62.100 -0.127 0.000 1.142 497 T CB -0.254 68.588 68.868 -0.043 0.000 0.861 497 T HN 0.729 nan 8.240 nan 0.000 0.456 498 K N 0.588 120.895 120.400 -0.156 0.000 2.044 498 K HA -0.013 4.307 4.320 -0.001 0.000 0.204 498 K C 2.034 178.559 176.600 -0.126 0.000 1.049 498 K CA 1.098 57.318 56.287 -0.111 0.000 0.945 498 K CB 0.148 32.599 32.500 -0.082 0.000 0.724 498 K HN 0.347 nan 8.250 nan 0.000 0.440 499 E N -0.082 120.010 120.200 -0.179 0.000 2.447 499 E HA 0.000 4.350 4.350 -0.001 0.000 0.204 499 E C -0.406 176.081 176.600 -0.189 0.000 0.977 499 E CA -0.061 56.254 56.400 -0.142 0.000 0.950 499 E CB 0.679 30.319 29.700 -0.100 0.000 0.975 499 E HN 0.239 nan 8.360 nan 0.000 0.496 500 Q N 1.276 120.805 119.800 -0.453 0.000 2.434 500 Q HA -0.210 4.130 4.340 -0.001 0.000 0.299 500 Q C -0.759 175.219 176.000 -0.037 0.000 1.286 500 Q CA 0.713 56.148 55.803 -0.613 0.000 0.872 500 Q CB -1.379 27.245 28.738 -0.190 0.000 1.193 500 Q HN 0.188 nan 8.270 nan 0.000 0.466 501 K N 0.575 120.971 120.400 -0.007 0.000 2.237 501 K HA 0.561 4.881 4.320 -0.001 0.000 0.270 501 K C -0.041 176.874 176.600 0.525 0.000 1.015 501 K CA -0.024 56.389 56.287 0.211 0.000 0.949 501 K CB 0.521 33.080 32.500 0.099 0.000 0.976 501 K HN 0.190 nan 8.250 nan 0.000 0.472 502 F N -0.165 119.956 119.950 0.284 0.000 2.685 502 F HA 0.591 5.117 4.527 -0.001 0.000 0.315 502 F C -0.947 174.972 175.800 0.198 0.000 1.126 502 F CA -1.625 56.571 58.000 0.326 0.000 0.950 502 F CB 0.616 39.820 39.000 0.340 0.000 1.360 502 F HN 0.413 nan 8.300 nan 0.000 0.469 503 I N -0.609 120.049 120.570 0.147 0.000 2.750 503 I HA 0.634 4.804 4.170 -0.001 0.000 0.308 503 I C -0.865 175.381 176.117 0.215 0.000 1.016 503 I CA -0.786 60.468 61.300 -0.077 0.000 1.098 503 I CB 1.727 39.459 38.000 -0.447 0.000 1.279 503 I HN 0.442 nan 8.210 nan 0.000 0.454 504 D N 3.779 124.316 120.400 0.228 0.000 2.354 504 D HA 0.519 5.159 4.640 -0.001 0.000 0.247 504 D C -0.641 175.748 176.300 0.148 0.000 1.138 504 D CA 0.150 54.347 54.000 0.328 0.000 0.958 504 D CB 1.875 42.870 40.800 0.325 0.000 1.144 504 D HN 0.447 nan 8.370 nan 0.000 0.458 505 L N 2.264 123.568 121.223 0.135 0.000 2.427 505 L HA 0.309 4.648 4.340 -0.001 0.000 0.264 505 L C -0.567 176.202 176.870 -0.169 0.000 0.989 505 L CA -0.609 54.253 54.840 0.036 0.000 0.865 505 L CB 0.633 42.790 42.059 0.163 0.000 1.209 505 L HN 0.444 nan 8.230 nan 0.000 0.430 506 N N -1.193 117.427 118.700 -0.133 0.000 3.243 506 N HA 0.236 4.975 4.740 -0.001 0.000 0.280 506 N C 0.448 175.861 175.510 -0.162 0.000 1.545 506 N CA -0.326 52.604 53.050 -0.201 0.000 0.854 506 N CB 0.679 39.114 38.487 -0.086 0.000 1.612 506 N HN 0.134 nan 8.380 nan 0.000 0.577 507 T N -3.545 110.899 114.554 -0.184 0.000 3.113 507 T HA 0.099 4.449 4.350 -0.001 0.000 0.263 507 T C 0.052 174.728 174.700 -0.040 0.000 1.143 507 T CA 0.647 62.666 62.100 -0.135 0.000 1.090 507 T CB -0.502 68.286 68.868 -0.135 0.000 0.922 507 T HN 0.526 nan 8.240 nan 0.000 0.521 508 E N 1.839 122.032 120.200 -0.012 0.000 2.280 508 E HA 0.384 4.734 4.350 -0.001 0.000 0.264 508 E C -2.601 174.007 176.600 0.013 0.000 1.064 508 E CA -2.691 53.716 56.400 0.012 0.000 0.900 508 E CB 0.433 30.151 29.700 0.030 0.000 1.123 508 E HN 0.142 nan 8.360 nan 0.000 0.418 509 P HA -0.108 nan 4.420 nan 0.000 0.262 509 P C -0.426 176.886 177.300 0.020 0.000 1.182 509 P CA 0.479 63.591 63.100 0.020 0.000 0.761 509 P CB 0.322 32.032 31.700 0.017 0.000 0.795 510 M N 3.790 123.407 119.600 0.028 0.000 2.261 510 M HA -0.031 4.449 4.480 -0.001 0.000 0.350 510 M C -0.312 175.970 176.300 -0.031 0.000 1.343 510 M CA 1.126 56.436 55.300 0.017 0.000 1.003 510 M CB 0.014 32.641 32.600 0.046 0.000 1.848 510 M HN 0.268 nan 8.290 nan 0.000 0.456 511 K N 3.691 124.043 120.400 -0.080 0.000 2.259 511 K HA 0.597 4.917 4.320 -0.001 0.000 0.249 511 K C -1.343 175.004 176.600 -0.421 0.000 0.942 511 K CA -0.958 55.184 56.287 -0.242 0.000 0.816 511 K CB 2.470 34.789 32.500 -0.301 0.000 1.155 511 K HN 0.516 nan 8.250 nan 0.000 0.428 512 V N 3.588 123.226 119.914 -0.459 0.000 2.481 512 V HA 0.270 4.389 4.120 -0.001 0.000 0.286 512 V C -0.098 175.552 176.094 -0.740 0.000 1.042 512 V CA -0.475 61.556 62.300 -0.448 0.000 0.928 512 V CB 0.967 32.671 31.823 -0.197 0.000 0.986 512 V HN 0.695 nan 8.190 nan 0.000 0.462 513 H N 3.168 121.895 119.070 -0.572 0.000 2.864 513 H HA 0.649 5.205 4.556 -0.001 0.000 0.354 513 H C -1.060 173.969 175.328 -0.499 0.000 1.208 513 H CA -0.833 54.826 56.048 -0.648 0.000 1.191 513 H CB 2.310 31.442 29.762 -1.050 0.000 1.889 513 H HN 0.569 nan 8.280 nan 0.000 0.574 514 Q N 0.243 120.056 119.800 0.021 0.000 2.423 514 Q HA 0.387 4.727 4.340 -0.001 0.000 0.278 514 Q C -0.623 175.629 176.000 0.419 0.000 1.097 514 Q CA -0.943 54.999 55.803 0.232 0.000 0.809 514 Q CB 2.890 31.687 28.738 0.099 0.000 1.391 514 Q HN 0.476 nan 8.270 nan 0.000 0.428 515 R N 0.883 121.627 120.500 0.406 0.000 3.144 515 R HA -0.194 4.146 4.340 -0.001 0.000 0.255 515 R C -0.737 175.707 176.300 0.241 0.000 0.949 515 R CA -0.155 56.111 56.100 0.276 0.000 0.649 515 R CB -1.543 28.860 30.300 0.171 0.000 1.229 515 R HN 0.495 nan 8.270 nan 0.000 0.440 516 L N 2.243 123.543 121.223 0.128 0.000 2.660 516 L HA -0.021 4.319 4.340 -0.001 0.000 0.272 516 L C 0.972 177.821 176.870 -0.034 0.000 1.194 516 L CA 0.844 55.568 54.840 -0.193 0.000 0.945 516 L CB -0.071 41.533 42.059 -0.759 0.000 1.212 516 L HN 0.413 nan 8.230 nan 0.000 0.490 517 R N 2.308 122.809 120.500 0.000 0.000 3.502 517 R HA -0.221 4.119 4.340 -0.001 0.000 0.266 517 R C 1.191 177.562 176.300 0.118 0.000 1.077 517 R CA 0.694 56.836 56.100 0.070 0.000 0.718 517 R CB -2.092 28.268 30.300 0.100 0.000 1.120 517 R HN 0.677 nan 8.270 nan 0.000 0.457 518 V N 0.413 120.392 119.914 0.108 0.000 2.343 518 V HA -0.331 3.788 4.120 -0.001 0.000 0.247 518 V C 2.374 178.544 176.094 0.126 0.000 1.051 518 V CA 2.622 64.997 62.300 0.125 0.000 1.036 518 V CB -0.051 31.841 31.823 0.116 0.000 0.654 518 V HN 0.467 nan 8.190 nan 0.000 0.451 519 Q N -0.669 119.188 119.800 0.095 0.000 2.002 519 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 519 Q C 2.130 178.195 176.000 0.107 0.000 0.988 519 Q CA 2.497 58.342 55.803 0.069 0.000 0.843 519 Q CB -0.370 28.378 28.738 0.017 0.000 0.908 519 Q HN 0.523 nan 8.270 nan 0.000 0.420 520 M N -0.870 118.814 119.600 0.139 0.000 2.213 520 M HA -0.137 4.342 4.480 -0.001 0.000 0.263 520 M C 2.308 178.887 176.300 0.464 0.000 1.062 520 M CA 0.923 56.380 55.300 0.261 0.000 1.105 520 M CB -1.207 31.606 32.600 0.356 0.000 1.385 520 M HN 0.352 nan 8.290 nan 0.000 0.417 521 c N -0.587 118.235 118.600 0.369 0.000 2.448 521 c HA -0.010 4.560 4.570 -0.001 0.000 0.280 521 c C 2.908 177.180 174.090 0.304 0.000 1.398 521 c CA 0.128 56.684 56.329 0.378 0.000 1.774 521 c CB -0.904 41.767 42.510 0.270 0.000 1.888 521 c HN 0.319 nan 8.230 nan 0.000 0.519 522 V N 0.657 120.714 119.914 0.237 0.000 2.427 522 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 522 V C 2.064 178.280 176.094 0.202 0.000 1.051 522 V CA 2.155 64.570 62.300 0.191 0.000 1.048 522 V CB -0.795 31.113 31.823 0.142 0.000 0.666 522 V HN 0.564 nan 8.190 nan 0.000 0.456 523 F N -0.047 119.940 119.950 0.062 0.000 2.075 523 F HA -0.197 4.330 4.527 -0.001 0.000 0.297 523 F C 1.995 177.786 175.800 -0.015 0.000 1.113 523 F CA 1.784 59.770 58.000 -0.023 0.000 1.218 523 F CB -0.379 38.483 39.000 -0.231 0.000 0.984 523 F HN 0.160 nan 8.300 nan 0.000 0.472 524 W N 0.430 121.841 121.300 0.185 0.000 2.436 524 W HA -0.078 4.582 4.660 -0.001 0.000 0.284 524 W C 2.054 178.556 176.519 -0.029 0.000 1.225 524 W CA 0.750 58.133 57.345 0.063 0.000 1.271 524 W CB -0.374 29.233 29.460 0.244 0.000 1.114 524 W HN -0.028 nan 8.180 nan 0.000 0.559 525 N N -0.752 118.072 118.700 0.207 0.000 2.415 525 N HA -0.010 4.729 4.740 -0.001 0.000 0.174 525 N C 1.299 176.817 175.510 0.014 0.000 1.048 525 N CA 0.905 53.994 53.050 0.064 0.000 0.895 525 N CB 0.069 38.624 38.487 0.114 0.000 1.036 525 N HN 0.215 nan 8.380 nan 0.000 0.449 526 Q N -1.087 118.740 119.800 0.046 0.000 2.644 526 Q HA 0.298 4.637 4.340 -0.001 0.000 0.220 526 Q C 1.318 177.323 176.000 0.008 0.000 0.866 526 Q CA -0.036 55.793 55.803 0.043 0.000 0.915 526 Q CB -0.172 28.626 28.738 0.100 0.000 1.191 526 Q HN 0.143 nan 8.270 nan 0.000 0.641 527 F N 0.770 120.632 119.950 -0.146 0.000 2.074 527 F HA -0.102 4.425 4.527 -0.001 0.000 0.293 527 F C 1.762 177.380 175.800 -0.303 0.000 1.116 527 F CA 0.970 58.854 58.000 -0.194 0.000 1.212 527 F CB -0.337 38.572 39.000 -0.152 0.000 0.998 527 F HN 0.144 nan 8.300 nan 0.000 0.471 528 L N 1.289 122.123 121.223 -0.648 0.000 2.012 528 L HA -0.084 4.256 4.340 -0.001 0.000 0.210 528 L C -0.850 175.764 176.870 -0.426 0.000 1.073 528 L CA 2.205 56.612 54.840 -0.721 0.000 0.748 528 L CB -1.975 39.558 42.059 -0.877 0.000 0.891 528 L HN 0.009 nan 8.230 nan 0.000 0.431 529 P HA -0.212 nan 4.420 nan 0.000 0.216 529 P C 1.490 178.676 177.300 -0.190 0.000 1.150 529 P CA 1.621 64.628 63.100 -0.155 0.000 0.837 529 P CB -0.058 31.581 31.700 -0.101 0.000 0.786 530 K N -0.184 120.070 120.400 -0.243 0.000 2.026 530 K HA -0.141 4.178 4.320 -0.001 0.000 0.208 530 K C 2.068 178.485 176.600 -0.305 0.000 1.048 530 K CA 1.071 57.219 56.287 -0.231 0.000 0.929 530 K CB -0.841 31.540 32.500 -0.197 0.000 0.713 530 K HN 0.026 nan 8.250 nan 0.000 0.439 531 L N 1.173 122.079 121.223 -0.528 0.000 2.013 531 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 531 L C 2.123 178.835 176.870 -0.264 0.000 1.073 531 L CA 1.441 55.994 54.840 -0.477 0.000 0.753 531 L CB -0.210 41.432 42.059 -0.695 0.000 0.890 531 L HN 0.267 nan 8.230 nan 0.000 0.432 532 L N -0.279 120.803 121.223 -0.235 0.000 2.093 532 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 532 L C 2.406 179.217 176.870 -0.097 0.000 1.085 532 L CA 1.535 56.291 54.840 -0.140 0.000 0.755 532 L CB -0.833 41.166 42.059 -0.100 0.000 0.904 532 L HN 0.496 nan 8.230 nan 0.000 0.435 533 N N 0.263 118.902 118.700 -0.102 0.000 2.396 533 N HA -0.120 4.620 4.740 -0.001 0.000 0.180 533 N C 1.694 177.165 175.510 -0.065 0.000 1.028 533 N CA 1.060 54.067 53.050 -0.070 0.000 0.893 533 N CB 0.337 38.783 38.487 -0.067 0.000 0.967 533 N HN 0.318 nan 8.380 nan 0.000 0.440 534 A N 0.228 122.997 122.820 -0.085 0.000 1.887 534 A HA 0.053 4.372 4.320 -0.001 0.000 0.212 534 A C 1.398 178.950 177.584 -0.054 0.000 1.198 534 A CA 1.064 53.061 52.037 -0.066 0.000 0.628 534 A CB -0.680 18.273 19.000 -0.078 0.000 0.847 534 A HN 0.456 nan 8.150 nan 0.000 0.449 535 T N 0.000 114.515 114.554 -0.065 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.070 62.100 -0.049 0.000 1.349 535 T CB 0.000 68.835 68.868 -0.056 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658