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 2wg2_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 3.068 123.324 120.200 0.094 0.000 2.209 5 E HA -0.062 4.287 4.350 -0.001 0.000 0.196 5 E C 1.134 177.868 176.600 0.223 0.000 0.993 5 E CA 1.232 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 0.638 121.963 121.223 0.169 0.000 2.592 6 L HA 0.124 4.464 4.340 -0.001 0.000 0.227 6 L C 0.339 177.419 176.870 0.350 0.000 1.127 6 L CA -0.349 54.601 54.840 0.183 0.000 0.884 6 L CB 0.330 42.395 42.059 0.009 0.000 1.065 6 L HN 0.112 nan 8.230 nan 0.000 0.457 7 L N 0.714 122.094 121.223 0.263 0.000 2.287 7 L HA 0.517 4.857 4.340 -0.001 0.000 0.287 7 L C -0.665 176.289 176.870 0.139 0.000 1.022 7 L CA -0.199 54.773 54.840 0.221 0.000 0.814 7 L CB 1.539 43.675 42.059 0.127 0.000 1.217 7 L HN -0.324 nan 8.230 nan 0.000 0.420 8 V N 4.737 124.696 119.914 0.076 0.000 2.588 8 V HA 0.462 4.582 4.120 -0.001 0.000 0.304 8 V C -0.467 175.524 176.094 -0.172 0.000 1.042 8 V CA -0.808 61.373 62.300 -0.198 0.000 0.877 8 V CB 1.898 33.297 31.823 -0.706 0.000 0.996 8 V HN 0.783 nan 8.190 nan 0.000 0.425 9 N N 2.909 121.458 118.700 -0.252 0.000 2.434 9 N HA 0.572 5.311 4.740 -0.001 0.000 0.272 9 N C -0.167 175.002 175.510 -0.569 0.000 1.040 9 N CA -0.001 52.865 53.050 -0.307 0.000 0.956 9 N CB 1.542 39.849 38.487 -0.299 0.000 1.108 9 N HN 0.926 nan 8.380 nan 0.000 0.481 10 T N -0.368 113.938 114.554 -0.413 0.000 2.910 10 T HA 0.398 4.748 4.350 -0.001 0.000 0.287 10 T C 0.905 175.351 174.700 -0.424 0.000 1.050 10 T CA -0.655 61.187 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 0.301 120.513 120.400 -0.313 0.000 2.360 11 K HA 0.023 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 0.968 57.118 56.287 -0.228 0.000 0.945 11 K CB -0.080 32.346 32.500 -0.124 0.000 0.750 11 K HN 0.438 nan 8.250 nan 0.000 0.464 12 S N -0.341 115.208 115.700 -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 58.147 58.200 -0.471 0.000 0.907 12 S CB 0.966 64.072 63.200 -0.157 0.000 0.790 12 S HN 0.554 nan 8.310 nan 0.000 0.510 13 G N 1.358 109.676 108.800 -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 43.422 45.100 -0.790 0.000 0.995 13 G HN 0.137 nan 8.290 nan 0.000 0.580 14 K N -0.448 120.038 120.400 0.144 0.000 2.218 14 K HA 0.596 4.915 4.320 -0.001 0.000 0.276 14 K C 0.292 177.247 176.600 0.591 0.000 1.022 14 K CA -0.390 56.065 56.287 0.279 0.000 0.946 14 K CB 1.945 34.564 32.500 0.197 0.000 1.000 14 K HN 1.208 nan 8.250 nan 0.000 0.468 15 V N -0.229 119.965 119.914 0.466 0.000 2.735 15 V HA 0.564 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 1.745 33.943 31.823 0.626 0.000 1.005 15 V HN 0.869 nan 8.190 nan 0.000 0.428 16 M N 4.356 124.209 119.600 0.422 0.000 2.167 16 M HA 0.778 5.257 4.480 -0.001 0.000 0.333 16 M C 0.353 176.799 176.300 0.244 0.000 1.030 16 M CA -0.060 55.433 55.300 0.321 0.000 0.963 16 M CB 1.213 33.916 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 0.583 4.543 3.960 -0.001 0.000 0.248 17 G HA3 0.583 4.543 3.960 -0.001 0.000 0.248 17 G C -1.096 173.608 174.900 -0.326 0.000 1.422 17 G CA -0.357 44.466 45.100 -0.462 0.000 1.051 17 G HN 0.597 nan 8.290 nan 0.000 0.560 18 T N -1.349 112.959 114.554 -0.409 0.000 2.916 18 T HA 0.502 4.851 4.350 -0.001 0.000 0.305 18 T C -0.792 173.789 174.700 -0.199 0.000 1.119 18 T CA -0.658 61.304 62.100 -0.229 0.000 1.008 18 T CB 1.499 70.259 68.868 -0.180 0.000 1.129 18 T HN 0.530 nan 8.240 nan 0.000 0.480 19 R N 2.846 123.282 120.500 -0.107 0.000 2.234 19 R HA 0.600 4.940 4.340 -0.001 0.000 0.324 19 R C -0.390 175.924 176.300 0.023 0.000 1.054 19 R CA -0.467 55.611 56.100 -0.036 0.000 0.912 19 R CB 0.313 30.587 30.300 -0.043 0.000 1.030 19 R HN 0.515 nan 8.270 nan 0.000 0.455 20 V N 3.052 123.002 119.914 0.060 0.000 2.555 20 V HA 0.669 4.788 4.120 -0.001 0.000 0.302 20 V C -2.454 173.658 176.094 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 0.019 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 -0.782 176.328 177.300 -0.317 0.000 1.227 21 P CA -0.004 62.863 63.100 -0.388 0.000 0.781 21 P CB 1.833 33.356 31.700 -0.294 0.000 0.906 22 V N 5.707 125.363 119.914 -0.430 0.000 2.653 22 V HA 0.163 4.283 4.120 -0.001 0.000 0.298 22 V C 0.018 175.836 176.094 -0.460 0.000 1.097 22 V CA -0.792 61.273 62.300 -0.391 0.000 0.908 22 V CB 0.623 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 5.839 126.936 121.223 -0.210 0.000 3.762 23 L HA -0.236 4.104 4.340 -0.001 0.000 0.460 23 L C 1.036 177.800 176.870 -0.177 0.000 1.255 23 L CA 0.981 55.736 54.840 -0.142 0.000 0.783 23 L CB -1.892 40.137 42.059 -0.051 0.000 1.600 23 L HN 1.085 nan 8.230 nan 0.000 0.862 24 S N -2.880 112.710 115.700 -0.183 0.000 3.084 24 S HA -0.212 4.258 4.470 -0.001 0.000 0.277 24 S C 0.454 174.959 174.600 -0.159 0.000 1.295 24 S CA 1.466 59.586 58.200 -0.135 0.000 1.170 24 S CB -0.589 62.583 63.200 -0.047 0.000 1.412 24 S HN 0.834 nan 8.310 nan 0.000 0.669 25 S N -0.997 114.510 115.700 -0.323 0.000 2.971 25 S HA 0.862 5.332 4.470 -0.001 0.000 0.320 25 S C -1.215 173.096 174.600 -0.480 0.000 1.111 25 S CA -0.526 57.525 58.200 -0.248 0.000 0.870 25 S CB 1.095 64.194 63.200 -0.168 0.000 1.331 25 S HN 0.458 nan 8.310 nan 0.000 0.635 26 H N -0.525 118.473 119.070 -0.120 0.000 3.016 26 H HA 0.724 5.279 4.556 -0.001 0.000 0.362 26 H C -0.583 174.753 175.328 0.015 0.000 1.233 26 H CA -0.346 55.661 56.048 -0.068 0.000 1.124 26 H CB 1.461 31.208 29.762 -0.024 0.000 1.850 26 H HN 0.716 nan 8.280 nan 0.000 0.549 27 I N -2.341 118.327 120.570 0.163 0.000 3.354 27 I HA 0.717 4.887 4.170 -0.001 0.000 0.316 27 I C -1.085 175.116 176.117 0.141 0.000 1.182 27 I CA -1.019 60.395 61.300 0.191 0.000 0.942 27 I CB 2.480 40.628 38.000 0.247 0.000 1.299 27 I HN 0.395 nan 8.210 nan 0.000 0.473 28 S N 1.345 117.131 115.700 0.144 0.000 2.541 28 S HA 0.831 5.300 4.470 -0.001 0.000 0.283 28 S C -0.300 174.266 174.600 -0.056 0.000 1.196 28 S CA -0.540 57.658 58.200 -0.004 0.000 1.062 28 S CB 1.498 64.730 63.200 0.052 0.000 1.009 28 S HN 0.863 nan 8.310 nan 0.000 0.502 29 A N 2.230 124.841 122.820 -0.347 0.000 2.356 29 A HA 0.796 5.116 4.320 -0.001 0.000 0.310 29 A C -1.341 175.858 177.584 -0.641 0.000 1.075 29 A CA -0.647 51.115 52.037 -0.459 0.000 0.746 29 A CB 0.487 19.218 19.000 -0.448 0.000 1.221 29 A HN 0.656 nan 8.150 nan 0.000 0.443 30 F N 2.592 122.400 119.950 -0.236 0.000 2.382 30 F HA 0.513 5.040 4.527 -0.001 0.000 0.361 30 F C -0.194 175.481 175.800 -0.209 0.000 1.109 30 F CA -0.365 57.577 58.000 -0.098 0.000 1.031 30 F CB 1.405 40.448 39.000 0.072 0.000 1.234 30 F HN 0.342 nan 8.300 nan 0.000 0.445 31 L N 2.286 123.474 121.223 -0.059 0.000 2.334 31 L HA 0.702 5.042 4.340 -0.001 0.000 0.276 31 L C 0.868 177.775 176.870 0.061 0.000 1.014 31 L CA -1.056 53.733 54.840 -0.085 0.000 0.815 31 L CB 1.754 43.677 42.059 -0.227 0.000 1.268 31 L HN 0.838 nan 8.230 nan 0.000 0.428 32 G N 3.116 111.979 108.800 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 -0.120 174.894 174.900 0.191 0.000 1.067 32 G CA -0.267 44.900 45.100 0.112 0.000 0.902 32 G HN 0.482 nan 8.290 nan 0.000 0.500 33 I N 2.011 122.608 120.570 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 -0.323 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 -0.311 176.617 177.300 -0.620 0.000 1.244 34 P CA -0.033 62.571 63.100 -0.826 0.000 0.784 34 P CB 0.659 31.805 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 38.793 39.000 -0.407 0.000 1.056 35 F HN 0.335 nan 8.300 nan 0.000 0.571 36 A N 0.165 122.667 122.820 -0.530 0.000 2.566 36 A HA 0.620 4.939 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 51.102 52.037 -0.284 0.000 0.707 36 A CB 1.010 19.835 19.000 -0.292 0.000 1.302 36 A HN 0.058 nan 8.150 nan 0.000 0.409 37 E N 0.933 121.046 120.200 -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 -1.326 55.008 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 0.225 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 -0.591 62.442 63.100 -0.112 0.000 0.767 38 P CB -0.053 31.619 31.700 -0.046 0.000 0.770 39 P HA 0.024 nan 4.420 nan 0.000 0.220 39 P C -0.373 176.878 177.300 -0.082 0.000 1.806 39 P CA 0.045 63.098 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 -2.438 117.436 119.914 -0.068 0.000 2.881 40 V HA 0.913 5.032 4.120 -0.001 0.000 0.316 40 V C 0.859 176.918 176.094 -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 3.675 112.438 108.800 -0.061 0.000 2.565 41 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.295 41 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.295 41 G C 0.563 175.432 174.900 -0.051 0.000 1.165 41 G CA 1.007 46.079 45.100 -0.046 0.000 0.977 41 G HN 1.967 nan 8.290 nan 0.000 0.546 42 N N 0.798 119.486 118.700 -0.020 0.000 2.550 42 N HA 0.080 4.819 4.740 -0.001 0.000 0.186 42 N C 1.817 177.323 175.510 -0.006 0.000 1.110 42 N CA 1.861 54.911 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 -0.085 119.497 119.600 -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 -0.014 55.267 55.300 -0.031 0.000 1.069 43 M CB -0.648 31.934 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 4.304 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 30.043 30.300 -0.608 0.000 0.945 44 R HN 0.223 nan 8.270 nan 0.000 0.414 45 F N -0.494 119.450 119.950 -0.010 0.000 2.502 45 F HA -0.293 4.234 4.527 -0.001 0.000 0.480 45 F C 0.485 176.263 175.800 -0.037 0.000 0.543 45 F CA 0.821 58.792 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 0.640 176.964 176.300 0.041 0.000 1.078 46 R CA -0.838 55.302 56.100 0.067 0.000 1.127 46 R CB 0.489 30.814 30.300 0.041 0.000 1.038 46 R HN 0.135 nan 8.270 nan 0.000 0.500 47 R N 2.366 122.890 120.500 0.041 0.000 2.638 47 R HA -0.008 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 -0.794 55.330 56.100 0.040 0.000 1.088 47 R CB -0.246 30.083 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 0.176 63.300 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 2.106 122.322 120.200 0.027 0.000 2.195 49 E HA 0.404 4.754 4.350 -0.001 0.000 0.271 49 E C -2.305 174.324 176.600 0.047 0.000 0.923 49 E CA -2.491 53.932 56.400 0.038 0.000 0.790 49 E CB 0.454 30.169 29.700 0.025 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 -0.226 177.124 177.300 0.083 0.000 1.187 50 P CA -0.084 63.081 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 3.449 123.906 120.400 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 -0.055 32.487 32.500 0.069 0.000 0.938 51 K HN 0.217 nan 8.250 nan 0.000 0.475 52 K N 6.117 126.592 120.400 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 -1.572 54.790 56.287 0.124 0.000 0.989 52 K CB 0.245 32.812 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 -0.116 0.000 0.772 53 P CB 0.258 31.852 31.700 -0.176 0.000 0.855 54 W N 0.657 122.032 121.300 0.125 0.000 2.647 54 W HA 0.726 5.386 4.660 -0.001 0.000 0.353 54 W C -0.711 175.884 176.519 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 1.030 116.919 115.700 0.316 0.000 2.693 55 S HA 0.728 5.197 4.470 -0.001 0.000 0.276 55 S C 0.575 175.371 174.600 0.325 0.000 1.192 55 S CA 0.553 58.880 58.200 0.213 0.000 0.994 55 S CB 0.796 64.078 63.200 0.136 0.000 1.012 55 S HN 1.426 nan 8.310 nan 0.000 0.550 56 G N 0.047 108.980 108.800 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 -0.334 44.894 45.100 0.213 0.000 0.898 56 G HN 0.995 nan 8.290 nan 0.000 0.573 57 V N 0.607 120.671 119.914 0.251 0.000 2.384 57 V HA 0.449 4.569 4.120 -0.001 0.000 0.287 57 V C 0.309 176.542 176.094 0.231 0.000 1.020 57 V CA -0.540 61.931 62.300 0.285 0.000 0.850 57 V CB 1.714 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 5.514 126.898 121.300 0.142 0.000 2.368 58 W HA 0.152 4.811 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 -0.204 57.055 57.345 -0.144 0.000 1.261 58 W CB 0.676 29.859 29.460 -0.463 0.000 1.298 58 W HN 0.620 nan 8.180 nan 0.000 0.539 59 N N 4.808 123.297 118.700 -0.351 0.000 2.399 59 N HA 0.146 4.886 4.740 -0.001 0.000 0.259 59 N C -0.310 175.204 175.510 0.005 0.000 1.160 59 N CA 0.288 53.241 53.050 -0.163 0.000 0.946 59 N CB 0.868 39.199 38.487 -0.260 0.000 1.156 59 N HN 0.396 nan 8.380 nan 0.000 0.489 60 A N 2.731 125.669 122.820 0.198 0.000 2.965 60 A HA 0.164 4.483 4.320 -0.001 0.000 0.304 60 A C 1.153 178.759 177.584 0.036 0.000 1.214 60 A CA -0.390 51.789 52.037 0.237 0.000 0.977 60 A CB -0.394 18.846 19.000 0.401 0.000 1.127 60 A HN 0.628 nan 8.150 nan 0.000 0.572 61 S N -0.878 114.802 115.700 -0.034 0.000 2.517 61 S HA 0.131 4.601 4.470 -0.001 0.000 0.214 61 S C 0.818 175.336 174.600 -0.136 0.000 0.991 61 S CA 0.650 58.787 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 -0.839 113.651 114.554 -0.106 0.000 2.900 62 T HA 0.614 4.963 4.350 -0.001 0.000 0.295 62 T C -0.825 173.848 174.700 -0.044 0.000 1.044 62 T CA -0.772 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 3.350 123.619 120.300 -0.050 0.000 2.805 63 Y HA 0.238 4.787 4.550 -0.001 0.000 0.337 63 Y C -1.452 174.389 175.900 -0.097 0.000 1.252 63 Y CA -1.296 56.778 58.100 -0.044 0.000 1.515 63 Y CB -0.014 38.441 38.460 -0.010 0.000 1.305 63 Y HN 0.544 nan 8.280 nan 0.000 0.600 64 P HA 0.030 nan 4.420 nan 0.000 0.277 64 P C -0.535 176.695 177.300 -0.118 0.000 1.271 64 P CA -0.477 62.514 63.100 -0.182 0.000 0.795 64 P CB 0.739 32.276 31.700 -0.273 0.000 1.101 65 N N 0.494 119.095 118.700 -0.164 0.000 2.374 65 N HA 0.027 4.767 4.740 -0.001 0.000 0.241 65 N C 0.119 175.600 175.510 -0.047 0.000 1.262 65 N CA 0.482 53.480 53.050 -0.087 0.000 0.880 65 N CB -0.377 38.068 38.487 -0.069 0.000 1.105 65 N HN 0.426 nan 8.380 nan 0.000 0.438 66 N N -0.583 118.078 118.700 -0.066 0.000 2.495 66 N HA 0.297 5.036 4.740 -0.001 0.000 0.280 66 N C -0.357 175.108 175.510 -0.074 0.000 1.168 66 N CA -0.663 52.343 53.050 -0.074 0.000 0.978 66 N CB 0.873 39.288 38.487 -0.120 0.000 1.191 66 N HN 0.412 nan 8.380 nan 0.000 0.497 67 c N 1.083 119.639 118.600 -0.074 0.000 2.700 67 c HA 0.058 4.627 4.570 -0.001 0.000 0.397 67 c C 0.601 174.595 174.090 -0.159 0.000 1.301 67 c CA -0.590 55.673 56.329 -0.109 0.000 2.219 67 c CB -0.056 42.416 42.510 -0.063 0.000 2.699 67 c HN 0.531 nan 8.230 nan 0.000 0.669 68 Q N 2.579 122.202 119.800 -0.296 0.000 2.274 68 Q HA 0.216 4.556 4.340 -0.001 0.000 0.280 68 Q C -0.063 175.858 176.000 -0.131 0.000 1.047 68 Q CA 0.916 56.523 55.803 -0.327 0.000 0.907 68 Q CB 0.510 28.798 28.738 -0.751 0.000 1.171 68 Q HN 0.871 nan 8.270 nan 0.000 0.381 69 Q N 1.494 121.310 119.800 0.026 0.000 2.522 69 Q HA 0.277 4.617 4.340 -0.001 0.000 0.285 69 Q C -1.197 174.959 176.000 0.260 0.000 0.982 69 Q CA -1.029 54.887 55.803 0.189 0.000 0.805 69 Q CB 0.765 29.580 28.738 0.128 0.000 1.457 69 Q HN 0.485 nan 8.270 nan 0.000 0.394 70 Y N 1.271 121.745 120.300 0.290 0.000 2.810 70 Y HA 0.223 4.773 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 58.870 58.100 0.338 0.000 1.537 70 Y CB 0.652 39.435 38.460 0.537 0.000 1.265 70 Y HN 0.435 nan 8.280 nan 0.000 0.572 71 V N 7.025 126.682 119.914 -0.430 0.000 2.417 71 V HA 0.117 4.237 4.120 -0.001 0.000 0.291 71 V C -0.503 175.293 176.094 -0.496 0.000 1.024 71 V CA -1.054 61.068 62.300 -0.296 0.000 0.861 71 V CB 1.522 33.257 31.823 -0.147 0.000 0.985 71 V HN 0.755 nan 8.190 nan 0.000 0.436 72 D N 3.814 124.128 120.400 -0.142 0.000 2.358 72 D HA 0.094 4.734 4.640 -0.001 0.000 0.258 72 D C 0.562 176.887 176.300 0.042 0.000 1.223 72 D CA 0.390 54.416 54.000 0.042 0.000 0.886 72 D CB 0.863 41.826 40.800 0.272 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 0.001 0.000 2.651 73 E HA -0.032 4.317 4.350 -0.001 0.000 0.208 73 E C 0.791 177.372 176.600 -0.032 0.000 0.997 73 E CA -0.134 56.268 56.400 0.004 0.000 1.020 73 E CB 0.672 30.352 29.700 -0.034 0.000 1.052 73 E HN 0.389 nan 8.360 nan 0.000 0.465 74 Q N 0.059 119.817 119.800 -0.070 0.000 2.119 74 Q HA -0.069 4.270 4.340 -0.001 0.000 0.201 74 Q C -0.243 175.334 176.000 -0.705 0.000 0.972 74 Q CA 1.368 56.902 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 0.640 120.661 119.950 0.118 0.000 2.660 75 F HA 0.440 4.967 4.527 -0.001 0.000 0.352 75 F C -2.247 173.629 175.800 0.125 0.000 1.257 75 F CA -2.933 55.115 58.000 0.079 0.000 1.200 75 F CB 1.132 40.158 39.000 0.044 0.000 1.473 75 F HN -0.125 nan 8.300 nan 0.000 0.561 76 P HA 0.179 nan 4.420 nan 0.000 0.264 76 P C 1.012 178.399 177.300 0.146 0.000 1.193 76 P CA 1.062 64.242 63.100 0.134 0.000 0.763 76 P CB 0.835 32.577 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 2.938 122.887 119.950 -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 -0.126 57.820 58.000 -0.090 0.000 1.162 78 F CB 1.294 40.229 39.000 -0.108 0.000 1.118 78 F HN 0.223 nan 8.300 nan 0.000 0.510 79 S N 3.374 118.639 115.700 -0.725 0.000 2.402 79 S HA -0.077 4.392 4.470 -0.001 0.000 0.229 79 S C 2.167 176.350 174.600 -0.695 0.000 1.021 79 S CA 0.875 58.720 58.200 -0.592 0.000 0.974 79 S CB -1.169 61.741 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 -1.412 0.000 2.442 80 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.219 80 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.219 80 G C 1.737 176.832 174.900 0.326 0.000 1.141 80 G CA 1.387 45.970 45.100 -0.861 0.000 0.763 80 G HN 0.804 nan 8.290 nan 0.000 0.554 81 S N -0.293 115.625 115.700 0.362 0.000 2.468 81 S HA 0.137 4.607 4.470 -0.001 0.000 0.226 81 S C 1.843 176.711 174.600 0.448 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 4.310 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 1.135 57.571 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 -1.621 117.843 119.600 -0.227 0.000 2.446 83 M HA -0.097 4.383 4.480 -0.001 0.000 0.263 83 M C 0.955 176.898 176.300 -0.595 0.000 1.066 83 M CA 1.424 56.435 55.300 -0.483 0.000 1.087 83 M CB -0.363 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 0.812 122.072 121.300 -0.067 0.000 3.114 84 W HA 0.283 4.943 4.660 -0.001 0.000 0.279 84 W C 0.400 176.841 176.519 -0.129 0.000 1.277 84 W CA -0.944 56.330 57.345 -0.119 0.000 1.630 84 W CB -0.043 29.380 29.460 -0.061 0.000 1.087 84 W HN 0.104 nan 8.180 nan 0.000 0.637 85 N N 1.538 120.282 118.700 0.074 0.000 2.503 85 N HA 0.155 4.895 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 -1.625 51.436 53.050 0.017 0.000 0.959 85 N CB -0.027 38.474 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 0.118 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 2.193 120.819 118.700 -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 0.012 53.001 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 0.309 120.757 120.500 -0.087 0.000 2.919 88 R HA 0.318 4.658 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 -0.769 55.292 56.100 -0.066 0.000 1.003 88 R CB 0.753 31.012 30.300 -0.069 0.000 1.192 88 R HN 0.252 nan 8.270 nan 0.000 0.488 89 E N 1.228 121.393 120.200 -0.058 0.000 2.442 89 E HA -0.015 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 0.229 56.595 56.400 -0.057 0.000 0.928 89 E CB 0.590 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 2.678 122.237 119.600 -0.068 0.000 2.233 90 M HA 0.226 4.705 4.480 -0.001 0.000 0.355 90 M C -0.289 175.956 176.300 -0.092 0.000 1.191 90 M CA -0.055 55.194 55.300 -0.085 0.000 1.101 90 M CB 1.686 34.234 32.600 -0.087 0.000 1.592 90 M HN 0.360 nan 8.290 nan 0.000 0.461 91 S N 0.837 116.473 115.700 -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 -0.664 57.471 58.200 -0.107 0.000 0.870 91 S CB 1.530 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 0.956 121.048 120.200 -0.180 0.000 2.268 92 E HA -0.089 4.260 4.350 -0.001 0.000 0.195 92 E C -0.278 176.259 176.600 -0.106 0.000 0.995 92 E CA 0.535 56.814 56.400 -0.202 0.000 0.836 92 E CB 0.098 29.681 29.700 -0.195 0.000 0.763 92 E HN 0.507 nan 8.360 nan 0.000 0.491 93 D N 0.426 120.797 120.400 -0.047 0.000 2.470 93 D HA -0.012 4.627 4.640 -0.001 0.000 0.226 93 D C -0.008 176.379 176.300 0.144 0.000 1.196 93 D CA -0.227 53.790 54.000 0.027 0.000 0.979 93 D CB -0.092 40.746 40.800 0.063 0.000 1.059 93 D HN 0.146 nan 8.370 nan 0.000 0.515 94 c N 2.366 121.016 118.600 0.084 0.000 3.722 94 c HA 0.387 4.957 4.570 -0.001 0.000 0.279 94 c C 0.463 174.623 174.090 0.116 0.000 1.819 94 c CA -0.712 55.726 56.329 0.182 0.000 1.744 94 c CB -1.286 41.252 42.510 0.047 0.000 3.247 94 c HN 0.403 nan 8.230 nan 0.000 0.549 95 L N 2.534 123.559 121.223 -0.331 0.000 2.358 95 L HA 0.480 4.819 4.340 -0.001 0.000 0.274 95 L C -0.968 175.125 176.870 -1.295 0.000 1.136 95 L CA 0.325 54.712 54.840 -0.755 0.000 0.970 95 L CB -0.399 41.100 42.059 -0.933 0.000 1.314 95 L HN 0.364 nan 8.230 nan 0.000 0.427 96 Y N 2.307 122.470 120.300 -0.229 0.000 2.581 96 Y HA 0.655 5.205 4.550 -0.001 0.000 0.345 96 Y C -0.204 175.869 175.900 0.289 0.000 1.036 96 Y CA -1.217 56.858 58.100 -0.042 0.000 1.042 96 Y CB 2.071 40.510 38.460 -0.036 0.000 1.289 96 Y HN 0.228 nan 8.280 nan 0.000 0.471 97 L N -0.152 121.262 121.223 0.318 0.000 2.327 97 L HA 0.780 5.120 4.340 -0.001 0.000 0.258 97 L C -1.324 175.605 176.870 0.098 0.000 1.024 97 L CA -1.148 53.812 54.840 0.200 0.000 0.825 97 L CB 1.842 43.933 42.059 0.054 0.000 1.386 97 L HN 0.473 nan 8.230 nan 0.000 0.417 98 N N 1.424 120.182 118.700 0.096 0.000 2.238 98 N HA 0.719 5.458 4.740 -0.001 0.000 0.302 98 N C -1.359 174.074 175.510 -0.129 0.000 1.072 98 N CA -0.214 52.796 53.050 -0.067 0.000 0.792 98 N CB 2.751 41.203 38.487 -0.059 0.000 1.425 98 N HN 0.656 nan 8.380 nan 0.000 0.478 99 I N 0.524 120.932 120.570 -0.270 0.000 2.499 99 I HA 0.388 4.557 4.170 -0.001 0.000 0.288 99 I C -0.694 175.350 176.117 -0.122 0.000 1.048 99 I CA -0.729 60.517 61.300 -0.089 0.000 1.062 99 I CB 2.123 40.023 38.000 -0.166 0.000 1.238 99 I HN 0.237 nan 8.210 nan 0.000 0.426 100 W N 5.711 127.143 121.300 0.221 0.000 2.433 100 W HA 0.598 5.258 4.660 -0.001 0.000 0.315 100 W C -0.903 175.757 176.519 0.234 0.000 1.087 100 W CA -0.715 56.755 57.345 0.207 0.000 1.205 100 W CB 2.129 31.681 29.460 0.153 0.000 1.288 100 W HN 0.097 nan 8.180 nan 0.000 0.504 101 V N 4.760 124.937 119.914 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 34.028 31.823 0.498 0.000 0.995 101 V HN 0.264 nan 8.190 nan 0.000 0.424 102 P HA 0.057 nan 4.420 nan 0.000 0.267 102 P C -0.464 176.965 177.300 0.214 0.000 1.201 102 P CA 0.325 63.561 63.100 0.227 0.000 0.775 102 P CB 0.495 32.292 31.700 0.162 0.000 0.854 103 S N 1.691 117.514 115.700 0.206 0.000 2.552 103 S HA 0.555 5.024 4.470 -0.001 0.000 0.314 103 S C -2.357 172.331 174.600 0.146 0.000 1.099 103 S CA -1.527 56.777 58.200 0.174 0.000 1.070 103 S CB -0.019 63.286 63.200 0.174 0.000 0.998 103 S HN 0.243 nan 8.310 nan 0.000 0.474 104 P HA 0.217 nan 4.420 nan 0.000 0.272 104 P C -0.512 176.862 177.300 0.123 0.000 1.230 104 P CA -0.642 62.524 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 1.944 122.524 120.500 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 -0.795 55.395 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 0.090 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 -0.406 62.745 63.100 0.084 0.000 0.793 106 P CB 0.712 32.465 31.700 0.088 0.000 1.074 107 K N -0.576 119.849 120.400 0.042 0.000 2.172 107 K HA 0.132 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 1.032 57.332 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 0.380 nan 8.250 nan 0.000 0.464 108 S N 1.191 116.894 115.700 0.006 0.000 2.564 108 S HA 0.163 4.632 4.470 -0.001 0.000 0.141 108 S C -0.979 173.622 174.600 0.002 0.000 1.474 108 S CA -0.393 57.802 58.200 -0.010 0.000 1.236 108 S CB 0.266 63.450 63.200 -0.027 0.000 1.481 108 S HN 0.123 nan 8.310 nan 0.000 0.397 109 T N 1.942 116.509 114.554 0.021 0.000 2.944 109 T HA 0.542 4.892 4.350 -0.001 0.000 0.284 109 T C 0.193 174.909 174.700 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 0.471 nan 8.240 nan 0.000 0.516 110 T N 2.499 117.063 114.554 0.016 0.000 2.933 110 T HA 0.275 4.625 4.350 -0.001 0.000 0.306 110 T C -0.269 174.457 174.700 0.042 0.000 1.045 110 T CA -0.124 61.984 62.100 0.012 0.000 1.143 110 T CB 0.140 69.001 68.868 -0.011 0.000 1.003 110 T HN 0.397 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 -0.017 176.137 176.094 0.101 0.000 1.038 111 V CA -0.788 61.568 62.300 0.093 0.000 0.887 111 V CB 1.736 33.618 31.823 0.099 0.000 0.991 111 V HN 0.829 nan 8.190 nan 0.000 0.434 112 M N 4.393 124.080 119.600 0.146 0.000 2.259 112 M HA 0.591 5.071 4.480 -0.001 0.000 0.304 112 M C -1.346 175.200 176.300 0.410 0.000 1.019 112 M CA -0.689 54.719 55.300 0.181 0.000 0.922 112 M CB 2.304 34.878 32.600 -0.044 0.000 1.600 112 M HN 0.348 nan 8.290 nan 0.000 0.433 113 V N 2.813 123.012 119.914 0.475 0.000 2.378 113 V HA 0.346 4.466 4.120 -0.001 0.000 0.288 113 V C -0.854 175.532 176.094 0.486 0.000 1.016 113 V CA -0.634 61.919 62.300 0.421 0.000 0.840 113 V CB 1.619 33.559 31.823 0.196 0.000 0.994 113 V HN 0.874 nan 8.190 nan 0.000 0.431 114 W N 6.913 128.314 121.300 0.169 0.000 2.316 114 W HA 0.618 5.277 4.660 -0.001 0.000 0.311 114 W C -1.283 175.136 176.519 -0.166 0.000 1.217 114 W CA -0.710 56.482 57.345 -0.254 0.000 1.199 114 W CB 1.158 30.509 29.460 -0.181 0.000 1.202 114 W HN 0.442 nan 8.180 nan 0.000 0.528 115 I N 9.211 129.163 120.570 -1.030 0.000 2.382 115 I HA 0.062 4.231 4.170 -0.001 0.000 0.285 115 I C -0.255 175.130 176.117 -1.220 0.000 1.007 115 I CA -1.126 59.656 61.300 -0.863 0.000 1.142 115 I CB 0.688 38.347 38.000 -0.568 0.000 1.289 115 I HN 0.298 nan 8.210 nan 0.000 0.453 116 Y N 4.628 124.521 120.300 -0.678 0.000 2.457 116 Y HA 0.636 5.186 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 -0.868 56.936 58.100 -0.494 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 -0.586 108.252 108.800 0.062 0.000 2.543 117 G HA2 0.488 4.447 3.960 -0.001 0.000 0.267 117 G HA3 0.488 4.447 3.960 -0.001 0.000 0.267 117 G C 0.326 175.193 174.900 -0.054 0.000 1.406 117 G CA -0.904 44.164 45.100 -0.054 0.000 1.048 117 G HN 1.741 nan 8.290 nan 0.000 0.548 118 G N -2.895 105.713 108.800 -0.319 0.000 2.165 118 G HA2 0.399 4.359 3.960 -0.001 0.000 0.144 118 G HA3 0.399 4.359 3.960 -0.001 0.000 0.144 118 G C 1.055 175.422 174.900 -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 -0.458 107.863 108.800 -0.799 0.000 2.203 119 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.263 119 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.263 119 G C 0.939 175.632 174.900 -0.345 0.000 1.012 119 G CA 0.841 45.329 45.100 -1.020 0.000 0.749 119 G HN 1.772 nan 8.290 nan 0.000 0.512 120 F N -3.520 116.353 119.950 -0.129 0.000 2.825 120 F HA -0.335 4.192 4.527 -0.001 0.000 0.358 120 F C 1.522 177.404 175.800 0.136 0.000 0.639 120 F CA 2.214 60.230 58.000 0.026 0.000 1.153 120 F CB -2.086 36.778 39.000 -0.228 0.000 1.610 120 F HN 0.866 nan 8.300 nan 0.000 0.305 121 Y N -0.867 119.491 120.300 0.097 0.000 2.445 121 Y HA 0.649 5.198 4.550 -0.001 0.000 0.247 121 Y C 0.678 176.665 175.900 0.145 0.000 1.129 121 Y CA 0.262 58.439 58.100 0.128 0.000 1.251 121 Y CB 0.029 38.475 38.460 -0.023 0.000 1.176 121 Y HN 0.106 nan 8.280 nan 0.000 0.522 122 S N -0.839 114.637 115.700 -0.373 0.000 2.672 122 S HA 0.880 5.350 4.470 -0.001 0.000 0.271 122 S C -0.274 174.150 174.600 -0.294 0.000 1.171 122 S CA -0.461 57.568 58.200 -0.285 0.000 0.817 122 S CB 1.461 64.416 63.200 -0.408 0.000 1.150 122 S HN 1.302 nan 8.310 nan 0.000 0.478 123 G N -0.353 108.243 108.800 -0.339 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 -1.073 173.183 174.900 -1.072 0.000 1.391 123 G CA -0.281 44.461 45.100 -0.598 0.000 0.949 123 G HN 1.431 nan 8.290 nan 0.000 0.646 124 S N -1.121 113.906 115.700 -1.122 0.000 2.537 124 S HA 0.666 5.135 4.470 -0.001 0.000 0.270 124 S C 0.950 175.387 174.600 -0.272 0.000 1.142 124 S CA 0.142 57.924 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 0.074 115.816 115.700 0.069 0.000 2.527 125 S HA -0.065 4.405 4.470 -0.001 0.000 0.222 125 S C 1.394 176.092 174.600 0.164 0.000 0.985 125 S CA 1.012 59.447 58.200 0.392 0.000 0.921 125 S CB -0.624 62.829 63.200 0.421 0.000 0.772 125 S HN 0.848 nan 8.310 nan 0.000 0.529 126 T N 0.092 114.532 114.554 -0.189 0.000 3.086 126 T HA 0.400 4.749 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 -0.579 67.777 68.868 -0.853 0.000 0.988 126 T HN 0.311 nan 8.240 nan 0.000 0.530 127 L N 2.231 123.264 121.223 -0.317 0.000 2.514 127 L HA 0.117 4.457 4.340 -0.001 0.000 0.280 127 L C 1.286 177.926 176.870 -0.383 0.000 1.223 127 L CA -0.426 54.147 54.840 -0.445 0.000 0.864 127 L CB 0.303 41.878 42.059 -0.807 0.000 1.118 127 L HN 0.073 nan 8.230 nan 0.000 0.494 128 D N 1.478 121.685 120.400 -0.321 0.000 2.158 128 D HA -0.162 4.477 4.640 -0.001 0.000 0.197 128 D C 1.921 178.038 176.300 -0.304 0.000 0.995 128 D CA 1.017 54.886 54.000 -0.219 0.000 0.846 128 D CB 0.125 40.807 40.800 -0.197 0.000 0.941 128 D HN 0.397 nan 8.370 nan 0.000 0.456 129 V N 0.109 119.703 119.914 -0.532 0.000 3.141 129 V HA -0.189 3.930 4.120 -0.001 0.000 0.265 129 V C 0.613 176.267 176.094 -0.734 0.000 1.126 129 V CA 1.092 63.037 62.300 -0.591 0.000 1.141 129 V CB -0.437 30.944 31.823 -0.737 0.000 0.743 129 V HN 0.158 nan 8.190 nan 0.000 0.492 130 Y N -0.734 119.111 120.300 -0.758 0.000 2.555 130 Y HA 0.412 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 -1.539 55.807 58.100 -1.256 0.000 1.230 130 Y CB -1.011 37.030 38.460 -0.698 0.000 1.146 130 Y HN 0.197 nan 8.280 nan 0.000 0.526 131 N N 1.592 120.131 118.700 -0.268 0.000 2.418 131 N HA -0.033 4.706 4.740 -0.001 0.000 0.277 131 N C 1.366 176.558 175.510 -0.530 0.000 1.317 131 N CA 0.647 53.550 53.050 -0.246 0.000 0.922 131 N CB 1.030 39.465 38.487 -0.088 0.000 1.194 131 N HN 0.491 nan 8.380 nan 0.000 0.485 132 G N 3.475 111.368 108.800 -1.512 0.000 2.744 132 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.211 132 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.211 132 G C 1.447 175.713 174.900 -1.056 0.000 1.143 132 G CA 0.506 44.874 45.100 -1.219 0.000 0.788 132 G HN 0.752 nan 8.290 nan 0.000 0.534 133 K N -0.291 119.320 120.400 -1.315 0.000 2.057 133 K HA -0.166 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 -0.581 31.579 32.500 -0.567 0.000 0.714 133 K HN 0.327 nan 8.250 nan 0.000 0.440 134 Y N 1.193 121.419 120.300 -0.123 0.000 2.200 134 Y HA -0.131 4.419 4.550 -0.001 0.000 0.290 134 Y C 2.396 178.301 175.900 0.007 0.000 1.137 134 Y CA 0.746 58.833 58.100 -0.021 0.000 1.163 134 Y CB -0.648 37.776 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 0.064 0.000 2.027 135 L HA -0.042 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 1.865 56.698 54.840 -0.010 0.000 0.745 135 L CB -1.216 40.751 42.059 -0.154 0.000 0.898 135 L HN 0.142 nan 8.230 nan 0.000 0.433 136 A N -1.256 121.594 122.820 0.051 0.000 1.883 136 A HA -0.306 4.014 4.320 -0.001 0.000 0.217 136 A C 2.328 180.001 177.584 0.150 0.000 1.186 136 A CA 1.999 54.114 52.037 0.131 0.000 0.624 136 A CB -1.263 17.876 19.000 0.231 0.000 0.822 136 A HN 0.631 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 -0.168 4.381 4.550 -0.001 0.000 0.286 137 Y C 2.638 178.568 175.900 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 0.226 114.755 114.554 -0.042 0.000 2.812 138 T HA -0.095 4.254 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 1.596 63.615 62.100 -0.136 0.000 1.140 138 T CB -0.085 68.800 68.868 0.029 0.000 0.870 138 T HN 0.309 nan 8.240 nan 0.000 0.445 139 E N 0.656 120.838 120.200 -0.031 0.000 2.481 139 E HA 0.099 4.449 4.350 -0.001 0.000 0.198 139 E C -0.007 176.595 176.600 0.003 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 0.186 120.379 120.200 -0.012 0.000 2.271 140 E HA -0.158 4.191 4.350 -0.001 0.000 0.223 140 E C -0.115 176.514 176.600 0.047 0.000 1.223 140 E CA 0.454 56.863 56.400 0.015 0.000 0.704 140 E CB -2.010 27.688 29.700 -0.004 0.000 1.194 140 E HN 0.127 nan 8.360 nan 0.000 0.375 141 V N -3.553 116.402 119.914 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 4.474 124.480 119.914 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 -0.246 62.178 62.300 0.208 0.000 0.937 142 V CB 0.969 32.901 31.823 0.181 0.000 0.999 142 V HN 0.759 nan 8.190 nan 0.000 0.472 143 L N 7.645 129.071 121.223 0.338 0.000 2.287 143 L HA 0.608 4.947 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 0.005 55.097 54.840 0.420 0.000 0.814 143 L CB 1.733 44.038 42.059 0.410 0.000 1.217 143 L HN 0.402 nan 8.230 nan 0.000 0.420 144 V N 3.921 124.110 119.914 0.459 0.000 2.581 144 V HA 0.565 4.684 4.120 -0.001 0.000 0.303 144 V C 0.106 176.500 176.094 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 4.836 120.837 115.700 0.501 0.000 2.519 145 S HA 0.829 5.298 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 1.554 65.156 63.200 0.669 0.000 1.008 145 S HN 0.673 nan 8.310 nan 0.000 0.478 146 L N 0.838 122.183 121.223 0.204 0.000 2.440 146 L HA 0.991 5.330 4.340 -0.001 0.000 0.262 146 L C 0.162 177.177 176.870 0.241 0.000 1.072 146 L CA -0.671 54.242 54.840 0.122 0.000 0.798 146 L CB 0.269 42.263 42.059 -0.107 0.000 1.307 146 L HN 0.888 nan 8.230 nan 0.000 0.475 147 S N -1.513 114.396 115.700 0.349 0.000 2.661 147 S HA 0.915 5.384 4.470 -0.001 0.000 0.285 147 S C -1.257 173.613 174.600 0.450 0.000 1.138 147 S CA -0.459 57.979 58.200 0.397 0.000 0.855 147 S CB 1.590 65.067 63.200 0.461 0.000 1.136 147 S HN 1.249 nan 8.310 nan 0.000 0.484 148 Y N -1.916 118.516 120.300 0.221 0.000 2.604 148 Y HA 0.664 5.214 4.550 -0.001 0.000 0.331 148 Y C -0.874 175.166 175.900 0.233 0.000 1.158 148 Y CA -1.362 56.853 58.100 0.191 0.000 1.056 148 Y CB 0.613 39.135 38.460 0.102 0.000 1.330 148 Y HN 0.781 nan 8.280 nan 0.000 0.457 149 R N 1.930 122.565 120.500 0.224 0.000 2.537 149 R HA 0.535 4.874 4.340 -0.001 0.000 0.280 149 R C -0.142 176.328 176.300 0.283 0.000 1.058 149 R CA -0.139 56.052 56.100 0.152 0.000 1.057 149 R CB 0.883 31.244 30.300 0.102 0.000 0.973 149 R HN 0.694 nan 8.270 nan 0.000 0.438 150 V N -0.265 119.834 119.914 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 1.164 33.164 31.823 0.295 0.000 1.110 150 V HN 0.971 nan 8.190 nan 0.000 0.450 151 G N 0.513 109.675 108.800 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 1.023 176.135 174.900 0.354 0.000 1.264 151 G CA 1.035 46.444 45.100 0.516 0.000 0.935 151 G HN 2.222 nan 8.290 nan 0.000 0.568 152 A N -1.254 121.471 122.820 -0.157 0.000 1.940 152 A HA 0.209 4.529 4.320 -0.001 0.000 0.219 152 A C 2.239 179.711 177.584 -0.185 0.000 1.176 152 A CA 2.551 54.152 52.037 -0.728 0.000 0.631 152 A CB -0.544 17.759 19.000 -1.161 0.000 0.814 152 A HN 0.991 nan 8.150 nan 0.000 0.446 153 F N 0.119 120.127 119.950 0.095 0.000 2.202 153 F HA -0.043 4.484 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 59.106 58.000 0.036 0.000 1.313 153 F CB -0.729 38.241 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 0.050 4.010 3.960 -0.001 0.000 0.211 154 G HA3 0.050 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 0.190 45.127 45.100 -0.272 0.000 0.790 154 G HN 0.355 nan 8.290 nan 0.000 0.529 155 F N -0.796 119.244 119.950 0.151 0.000 2.915 155 F HA 0.414 4.940 4.527 -0.001 0.000 0.347 155 F C 0.345 176.203 175.800 0.096 0.000 1.104 155 F CA -1.025 57.044 58.000 0.115 0.000 1.126 155 F CB 0.328 39.415 39.000 0.144 0.000 1.145 155 F HN -0.091 nan 8.300 nan 0.000 0.541 156 L N 2.355 123.589 121.223 0.018 0.000 2.559 156 L HA 0.415 4.755 4.340 -0.001 0.000 0.274 156 L C 0.145 176.977 176.870 -0.063 0.000 1.205 156 L CA 0.266 55.005 54.840 -0.168 0.000 0.907 156 L CB 0.264 41.911 42.059 -0.687 0.000 1.153 156 L HN 0.155 nan 8.230 nan 0.000 0.490 157 A N 7.018 129.854 122.820 0.027 0.000 2.332 157 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 157 A C -0.823 176.772 177.584 0.018 0.000 1.153 157 A CA -0.502 51.558 52.037 0.039 0.000 0.764 157 A CB 0.653 19.706 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 0.891 nan 8.230 nan 0.000 0.453 159 H N 1.875 120.942 119.070 -0.005 0.000 3.034 159 H HA 0.318 4.873 4.556 -0.001 0.000 0.324 159 H C 1.120 176.451 175.328 0.005 0.000 1.015 159 H CA 1.396 57.448 56.048 0.007 0.000 1.429 159 H CB 0.890 30.660 29.762 0.014 0.000 1.429 159 H HN 0.686 nan 8.280 nan 0.000 0.585 160 G N 2.788 111.280 108.800 -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 0.425 175.229 174.900 -0.160 0.000 1.001 160 G CA 0.184 45.079 45.100 -0.341 0.000 0.627 160 G HN 0.905 nan 8.290 nan 0.000 0.501 161 S N 0.050 115.689 115.700 -0.101 0.000 2.586 161 S HA 0.586 5.056 4.470 -0.001 0.000 0.274 161 S C 1.137 175.717 174.600 -0.033 0.000 1.281 161 S CA 0.180 58.350 58.200 -0.049 0.000 1.035 161 S CB 1.443 64.626 63.200 -0.030 0.000 0.962 161 S HN 0.203 nan 8.310 nan 0.000 0.512 162 Q N 1.623 121.415 119.800 -0.012 0.000 2.384 162 Q HA 0.186 4.525 4.340 -0.001 0.000 0.207 162 Q C 1.161 177.177 176.000 0.027 0.000 0.904 162 Q CA 0.402 56.209 55.803 0.006 0.000 0.933 162 Q CB 0.163 28.904 28.738 0.006 0.000 1.077 162 Q HN 0.710 nan 8.270 nan 0.000 0.522 163 E N 0.438 120.657 120.200 0.032 0.000 2.170 163 E HA 0.086 4.436 4.350 -0.001 0.000 0.191 163 E C 0.160 176.814 176.600 0.089 0.000 0.981 163 E CA 0.515 56.952 56.400 0.062 0.000 0.830 163 E CB 0.526 30.265 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 -2.102 175.484 177.584 0.003 0.000 1.003 164 A CA -0.951 51.095 52.037 0.015 0.000 0.882 164 A CB 0.649 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 0.189 nan 4.420 nan 0.000 0.236 165 P C 0.864 178.214 177.300 0.082 0.000 1.177 165 P CA 1.576 64.710 63.100 0.057 0.000 0.773 165 P CB 0.279 32.016 31.700 0.061 0.000 0.878 166 G N 0.739 109.569 108.800 0.050 0.000 2.663 166 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.686 166 G HA3 -0.164 3.795 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 -2.466 116.241 118.700 0.012 0.000 2.778 167 N HA -0.286 4.454 4.740 -0.001 0.000 0.249 167 N C 1.924 177.280 175.510 -0.256 0.000 1.069 167 N CA 2.560 55.545 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 1.908 nan 8.380 nan 0.000 0.573 168 V N -2.801 116.947 119.914 -0.278 0.000 2.515 168 V HA 0.022 4.141 4.120 -0.001 0.000 0.250 168 V C 2.318 178.272 176.094 -0.234 0.000 1.058 168 V CA 2.283 64.472 62.300 -0.185 0.000 1.064 168 V CB -0.931 30.843 31.823 -0.082 0.000 0.675 168 V HN 0.268 nan 8.190 nan 0.000 0.461 169 G N 0.406 108.857 108.800 -0.582 0.000 2.422 169 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.218 169 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.218 169 G C 1.557 176.451 174.900 -0.011 0.000 1.146 169 G CA 1.125 46.059 45.100 -0.276 0.000 0.769 169 G HN 0.533 nan 8.290 nan 0.000 0.547 170 L N -0.152 121.020 121.223 -0.086 0.000 2.093 170 L HA 0.065 4.405 4.340 -0.001 0.000 0.208 170 L C 2.804 179.730 176.870 0.094 0.000 1.085 170 L CA 0.418 55.208 54.840 -0.083 0.000 0.755 170 L CB -0.249 41.479 42.059 -0.552 0.000 0.904 170 L HN 0.185 nan 8.230 nan 0.000 0.435 171 L N -0.727 120.530 121.223 0.056 0.000 2.141 171 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 171 L C 2.141 179.105 176.870 0.156 0.000 1.094 171 L CA 0.731 55.666 54.840 0.158 0.000 0.763 171 L CB -0.617 41.512 42.059 0.117 0.000 0.908 171 L HN 0.265 nan 8.230 nan 0.000 0.437 172 D N 0.120 120.611 120.400 0.152 0.000 2.104 172 D HA -0.212 4.428 4.640 -0.001 0.000 0.194 172 D C 2.274 178.694 176.300 0.201 0.000 0.994 172 D CA 1.244 55.408 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 0.400 nan 8.370 nan 0.000 0.452 173 Q N 0.109 119.973 119.800 0.107 0.000 2.050 173 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 173 Q C 2.309 178.233 176.000 -0.126 0.000 0.980 173 Q CA 1.034 56.809 55.803 -0.046 0.000 0.840 173 Q CB -0.087 28.641 28.738 -0.017 0.000 0.898 173 Q HN 0.209 nan 8.270 nan 0.000 0.424 174 R N 0.677 121.186 120.500 0.014 0.000 2.081 174 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 174 R C 2.217 178.507 176.300 -0.018 0.000 1.131 174 R CA 1.491 57.578 56.100 -0.022 0.000 0.960 174 R CB -0.180 30.208 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 -0.113 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 1.915 57.274 55.300 0.099 0.000 1.110 175 M CB -0.043 32.711 32.600 0.257 0.000 1.374 175 M HN 0.305 nan 8.290 nan 0.000 0.411 176 A N 0.528 123.057 122.820 -0.485 0.000 1.902 176 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 176 A C 1.974 179.428 177.584 -0.218 0.000 1.181 176 A CA 1.461 53.008 52.037 -0.818 0.000 0.623 176 A CB -1.004 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 -1.042 120.084 121.223 -0.161 0.000 2.083 177 L HA -0.234 4.105 4.340 -0.001 0.000 0.209 177 L C 2.827 179.738 176.870 0.069 0.000 1.083 177 L CA 1.683 56.500 54.840 -0.039 0.000 0.752 177 L CB -0.516 41.485 42.059 -0.097 0.000 0.899 177 L HN 0.490 nan 8.230 nan 0.000 0.433 178 Q N -0.250 119.590 119.800 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 1.972 57.842 55.803 0.112 0.000 0.844 178 Q CB -0.480 28.315 28.738 0.095 0.000 0.898 178 Q HN 0.483 nan 8.270 nan 0.000 0.426 179 W N -0.749 120.576 121.300 0.041 0.000 2.358 179 W HA -0.149 4.510 4.660 -0.001 0.000 0.303 179 W C 1.829 178.396 176.519 0.080 0.000 1.208 179 W CA 1.607 58.998 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 0.017 nan 8.180 nan 0.000 0.515 180 V N -0.132 119.983 119.914 0.336 0.000 2.295 180 V HA -0.367 3.752 4.120 -0.001 0.000 0.246 180 V C 2.176 178.306 176.094 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 30.564 31.823 0.184 0.000 0.648 180 V HN 0.308 nan 8.190 nan 0.000 0.447 181 H N 0.615 119.686 119.070 0.002 0.000 2.319 181 H HA -0.197 4.359 4.556 -0.001 0.000 0.297 181 H C 1.954 177.218 175.328 -0.106 0.000 1.097 181 H CA 2.295 58.321 56.048 -0.037 0.000 1.285 181 H CB -0.092 29.661 29.762 -0.015 0.000 1.368 181 H HN 0.408 nan 8.280 nan 0.000 0.495 182 D N -0.949 119.396 120.400 -0.091 0.000 2.277 182 D HA -0.046 4.594 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 0.733 54.620 54.000 -0.187 0.000 0.865 182 D CB 0.106 40.833 40.800 -0.121 0.000 0.939 182 D HN 0.505 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 1.411 176.839 175.510 -0.136 0.000 1.259 183 N CA -0.159 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 3.142 123.642 120.570 -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 1.305 62.658 61.300 0.090 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 -0.573 119.045 119.800 -0.304 0.000 2.181 185 Q HA -0.254 4.086 4.340 -0.001 0.000 0.205 185 Q C 1.906 177.675 176.000 -0.385 0.000 0.980 185 Q CA 1.832 57.389 55.803 -0.410 0.000 0.862 185 Q CB -0.924 27.432 28.738 -0.636 0.000 0.905 185 Q HN 0.428 nan 8.270 nan 0.000 0.429 186 F N -0.065 119.814 119.950 -0.117 0.000 2.502 186 F HA 0.079 4.606 4.527 -0.001 0.000 0.298 186 F C 1.120 176.679 175.800 -0.402 0.000 1.111 186 F CA 0.344 58.172 58.000 -0.287 0.000 1.445 186 F CB -0.204 38.542 39.000 -0.424 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 0.391 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 0.392 58.384 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 0.257 109.130 108.800 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 0.542 175.486 174.900 0.075 0.000 0.984 188 G CA -0.277 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 -0.507 108.340 108.800 0.078 0.000 2.425 189 G HA2 0.504 4.464 3.960 -0.001 0.000 0.302 189 G HA3 0.504 4.464 3.960 -0.001 0.000 0.302 189 G C -0.740 174.149 174.900 -0.019 0.000 1.159 189 G CA 0.224 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 1.544 121.934 120.400 -0.016 0.000 2.396 190 D HA 0.276 4.916 4.640 -0.001 0.000 0.225 190 D C -1.116 175.153 176.300 -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 0.521 63.558 63.100 -0.106 0.000 0.769 191 P CB 0.395 31.917 31.700 -0.298 0.000 0.807 192 K N -0.558 119.817 120.400 -0.041 0.000 2.404 192 K HA 0.131 4.450 4.320 -0.001 0.000 0.194 192 K C 0.431 177.029 176.600 -0.004 0.000 1.023 192 K CA 0.570 56.850 56.287 -0.011 0.000 1.094 192 K CB -0.083 32.399 32.500 -0.029 0.000 0.841 192 K HN 0.101 nan 8.250 nan 0.000 0.523 193 T N 1.150 115.704 114.554 -0.000 0.000 3.630 193 T HA 0.233 4.583 4.350 -0.001 0.000 0.238 193 T C -0.392 174.325 174.700 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 69.508 68.868 -0.026 0.000 0.940 193 T HN -0.295 nan 8.240 nan 0.000 0.641 194 V N 2.148 122.106 119.914 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 -0.419 61.953 62.300 0.121 0.000 0.889 194 V CB 1.411 33.332 31.823 0.163 0.000 0.985 194 V HN 0.506 nan 8.190 nan 0.000 0.459 195 T N 6.692 121.325 114.554 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 2.071 122.724 120.570 0.137 0.000 2.396 196 I HA 0.793 4.963 4.170 -0.001 0.000 0.292 196 I C -0.744 175.530 176.117 0.263 0.000 0.999 196 I CA -0.834 60.522 61.300 0.095 0.000 1.310 196 I CB 0.552 38.389 38.000 -0.272 0.000 1.404 196 I HN 0.453 nan 8.210 nan 0.000 0.496 197 F N 3.533 123.512 119.950 0.048 0.000 2.601 197 F HA 1.005 5.532 4.527 -0.001 0.000 0.309 197 F C -0.428 175.332 175.800 -0.066 0.000 1.089 197 F CA -1.457 56.612 58.000 0.115 0.000 0.940 197 F CB 1.361 40.554 39.000 0.323 0.000 1.273 197 F HN 0.812 nan 8.300 nan 0.000 0.450 198 G N 1.341 109.995 108.800 -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 -2.525 172.158 174.900 -0.362 0.000 1.445 198 G CA -0.800 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 0.506 120.461 120.200 -0.409 0.000 2.212 199 E HA 0.629 4.979 4.350 -0.001 0.000 0.268 199 E C 0.674 177.236 176.600 -0.064 0.000 0.902 199 E CA 0.317 56.711 56.400 -0.010 0.000 0.779 199 E CB 2.073 31.932 29.700 0.265 0.000 1.172 199 E HN 0.872 nan 8.360 nan 0.000 0.409 200 S N 3.055 118.778 115.700 0.039 0.000 4.140 200 S HA -0.395 4.074 4.470 -0.001 0.000 0.618 200 S C 1.489 176.204 174.600 0.191 0.000 1.896 200 S CA 2.164 60.459 58.200 0.159 0.000 4.240 200 S CB -1.655 61.564 63.200 0.032 0.000 0.208 200 S HN 0.978 nan 8.310 nan 0.000 0.487 201 A N 1.109 123.935 122.820 0.011 0.000 1.978 201 A HA 0.138 4.457 4.320 -0.001 0.000 0.220 201 A C 2.494 179.847 177.584 -0.385 0.000 1.170 201 A CA 2.505 54.358 52.037 -0.307 0.000 0.636 201 A CB -1.565 16.851 19.000 -0.973 0.000 0.810 201 A HN 1.632 nan 8.150 nan 0.000 0.448 202 G N -0.753 107.868 108.800 -0.300 0.000 2.422 202 G HA2 0.087 4.046 3.960 -0.001 0.000 0.218 202 G HA3 0.087 4.046 3.960 -0.001 0.000 0.218 202 G C 1.456 176.183 174.900 -0.290 0.000 1.140 202 G CA 1.158 46.032 45.100 -0.378 0.000 0.775 202 G HN 0.662 nan 8.290 nan 0.000 0.545 203 G N 1.148 109.841 108.800 -0.178 0.000 2.404 203 G HA2 0.077 4.036 3.960 -0.001 0.000 0.215 203 G HA3 0.077 4.036 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 1.472 46.504 45.100 -0.115 0.000 0.780 203 G HN 0.582 nan 8.290 nan 0.000 0.537 204 A N 0.959 123.715 122.820 -0.107 0.000 1.892 204 A HA -0.082 4.238 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 2.481 54.429 52.037 -0.147 0.000 0.631 204 A CB -0.864 18.073 19.000 -0.105 0.000 0.822 204 A HN 0.320 nan 8.150 nan 0.000 0.447 205 S N -0.589 115.075 115.700 -0.060 0.000 2.359 205 S HA -0.166 4.303 4.470 -0.001 0.000 0.224 205 S C 1.923 176.449 174.600 -0.122 0.000 1.035 205 S CA 1.487 59.631 58.200 -0.093 0.000 1.018 205 S CB -0.639 62.460 63.200 -0.169 0.000 0.876 205 S HN 0.357 nan 8.310 nan 0.000 0.448 206 V N 1.629 121.476 119.914 -0.111 0.000 2.282 206 V HA -0.239 3.880 4.120 -0.001 0.000 0.249 206 V C 2.621 178.664 176.094 -0.085 0.000 1.057 206 V CA 2.114 64.354 62.300 -0.100 0.000 1.032 206 V CB -1.537 30.208 31.823 -0.130 0.000 0.645 206 V HN 0.616 nan 8.190 nan 0.000 0.447 207 G N -1.145 107.551 108.800 -0.173 0.000 2.442 207 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.219 207 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.219 207 G C 1.597 176.497 174.900 -0.001 0.000 1.141 207 G CA 1.134 46.105 45.100 -0.215 0.000 0.763 207 G HN 0.466 nan 8.290 nan 0.000 0.554 208 M N -0.239 119.369 119.600 0.014 0.000 2.229 208 M HA 0.012 4.491 4.480 -0.001 0.000 0.264 208 M C 2.300 178.694 176.300 0.156 0.000 1.063 208 M CA 0.888 56.318 55.300 0.216 0.000 1.114 208 M CB -0.257 32.477 32.600 0.223 0.000 1.387 208 M HN 0.197 nan 8.290 nan 0.000 0.420 209 H N -0.065 119.120 119.070 0.192 0.000 2.428 209 H HA 0.031 4.587 4.556 -0.001 0.000 0.296 209 H C 2.128 177.664 175.328 0.347 0.000 1.062 209 H CA 1.255 57.409 56.048 0.177 0.000 1.350 209 H CB -0.286 29.468 29.762 -0.013 0.000 1.403 209 H HN 0.410 nan 8.280 nan 0.000 0.533 210 I N 0.509 121.358 120.570 0.465 0.000 2.208 210 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 210 I C 2.261 178.623 176.117 0.408 0.000 1.097 210 I CA 1.078 62.693 61.300 0.526 0.000 1.363 210 I CB -0.157 38.103 38.000 0.433 0.000 1.051 210 I HN 0.110 nan 8.210 nan 0.000 0.413 211 L N -0.463 120.965 121.223 0.341 0.000 2.068 211 L HA -0.067 4.273 4.340 -0.001 0.000 0.204 211 L C 1.566 178.534 176.870 0.163 0.000 1.076 211 L CA 0.419 55.454 54.840 0.324 0.000 0.753 211 L CB -0.303 41.986 42.059 0.383 0.000 0.910 211 L HN 0.080 nan 8.230 nan 0.000 0.439 212 S N 0.099 115.797 115.700 -0.002 0.000 2.481 212 S HA 0.089 4.559 4.470 -0.001 0.000 0.282 212 S C -1.477 172.995 174.600 -0.214 0.000 1.243 212 S CA -1.357 56.638 58.200 -0.342 0.000 1.078 212 S CB 0.774 63.313 63.200 -1.101 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 1.402 178.615 177.300 -0.146 0.000 1.151 213 P CA 1.275 64.303 63.100 -0.120 0.000 0.849 213 P CB -0.120 31.517 31.700 -0.104 0.000 0.787 214 G N -1.685 106.978 108.800 -0.227 0.000 2.679 214 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.212 214 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.212 214 G C 1.364 176.180 174.900 -0.139 0.000 1.137 214 G CA 0.536 45.522 45.100 -0.189 0.000 0.787 214 G HN 0.240 nan 8.290 nan 0.000 0.534 215 S N -0.648 114.984 115.700 -0.113 0.000 2.514 215 S HA 0.131 4.601 4.470 -0.001 0.000 0.223 215 S C 2.175 176.853 174.600 0.130 0.000 1.046 215 S CA -0.446 57.794 58.200 0.066 0.000 0.914 215 S CB 0.228 63.597 63.200 0.282 0.000 0.807 215 S HN 0.315 nan 8.310 nan 0.000 0.497 216 R N 1.778 122.298 120.500 0.033 0.000 2.117 216 R HA -0.122 4.218 4.340 -0.001 0.000 0.243 216 R C 0.820 176.915 176.300 -0.340 0.000 1.143 216 R CA 1.675 57.701 56.100 -0.123 0.000 0.968 216 R CB -0.366 29.879 30.300 -0.092 0.000 0.863 216 R HN 0.280 nan 8.270 nan 0.000 0.444 217 D N 0.165 120.444 120.400 -0.202 0.000 2.363 217 D HA -0.028 4.611 4.640 -0.001 0.000 0.220 217 D C 1.278 177.451 176.300 -0.211 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 0.225 nan 8.370 nan 0.000 0.530 218 L N -0.319 120.827 121.223 -0.129 0.000 2.592 218 L HA 0.165 4.504 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 -0.096 54.740 54.840 -0.007 0.000 0.884 218 L CB -0.197 41.881 42.059 0.033 0.000 1.065 218 L HN -0.056 nan 8.230 nan 0.000 0.457 219 F N -4.498 115.455 119.950 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 40.148 39.000 0.032 0.000 1.349 219 F HN -0.413 nan 8.300 nan 0.000 0.464 220 R N 0.688 121.270 120.500 0.137 0.000 2.103 220 R HA 0.459 4.798 4.340 -0.001 0.000 0.212 220 R C -0.070 176.287 176.300 0.096 0.000 1.107 220 R CA 1.298 57.413 56.100 0.024 0.000 1.025 220 R CB 0.243 30.559 30.300 0.028 0.000 0.929 220 R HN 0.870 nan 8.270 nan 0.000 0.456 221 R N -1.904 118.763 120.500 0.278 0.000 2.844 221 R HA 0.792 5.132 4.340 -0.001 0.000 0.264 221 R C -1.661 174.884 176.300 0.408 0.000 1.077 221 R CA -0.762 55.512 56.100 0.289 0.000 0.953 221 R CB 0.959 31.272 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 0.205 0.000 1.282 222 A HN 0.587 nan 8.150 nan 0.000 0.400 223 I N 1.569 122.212 120.570 0.121 0.000 2.498 223 I HA 0.458 4.627 4.170 -0.001 0.000 0.290 223 I C -1.437 174.732 176.117 0.088 0.000 1.032 223 I CA -0.676 60.628 61.300 0.007 0.000 1.073 223 I CB 2.008 39.992 38.000 -0.028 0.000 1.251 223 I HN 0.452 nan 8.210 nan 0.000 0.426 224 L N 6.365 127.614 121.223 0.042 0.000 2.343 224 L HA 0.443 4.783 4.340 -0.001 0.000 0.278 224 L C -0.544 176.418 176.870 0.152 0.000 0.996 224 L CA -0.247 54.617 54.840 0.041 0.000 0.831 224 L CB 1.614 43.621 42.059 -0.087 0.000 1.232 224 L HN 0.489 nan 8.230 nan 0.000 0.413 225 Q N 1.828 121.771 119.800 0.237 0.000 2.347 225 Q HA 0.463 4.803 4.340 -0.001 0.000 0.262 225 Q C 0.069 176.203 176.000 0.224 0.000 0.980 225 Q CA -0.520 55.500 55.803 0.360 0.000 0.867 225 Q CB 1.441 30.485 28.738 0.510 0.000 1.242 225 Q HN 0.657 nan 8.270 nan 0.000 0.453 226 S N 1.099 116.919 115.700 0.198 0.000 3.614 226 S HA -0.177 4.293 4.470 -0.001 0.000 0.360 226 S C -0.001 174.754 174.600 0.258 0.000 1.023 226 S CA 0.594 58.929 58.200 0.225 0.000 1.114 226 S CB -1.110 62.245 63.200 0.258 0.000 0.907 226 S HN 0.949 nan 8.310 nan 0.000 0.470 227 G N -0.712 108.175 108.800 0.144 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 0.864 116.438 115.700 -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 -0.466 0.000 1.133 228 S CA -1.133 56.808 58.200 -0.432 0.000 0.876 228 S CB 2.475 65.476 63.200 -0.332 0.000 1.105 228 S HN 0.340 nan 8.310 nan 0.000 0.470 229 P HA -0.051 nan 4.420 nan 0.000 0.221 229 P C 0.545 177.619 177.300 -0.376 0.000 1.150 229 P CA 0.928 63.806 63.100 -0.370 0.000 0.800 229 P CB -0.225 31.319 31.700 -0.261 0.000 0.787 230 N N -0.773 117.735 118.700 -0.320 0.000 2.370 230 N HA -0.017 4.722 4.740 -0.001 0.000 0.198 230 N C 0.072 175.345 175.510 -0.394 0.000 1.156 230 N CA -0.187 52.697 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 0.018 nan 8.380 nan 0.000 0.468 231 C N 2.794 121.749 119.300 -0.575 0.000 2.634 231 C HA 0.071 4.531 4.460 -0.001 0.000 0.417 231 C C -0.211 174.281 174.990 -0.830 0.000 1.334 231 C CA -0.873 57.664 59.018 -0.801 0.000 1.829 231 C CB 1.000 27.960 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 1.260 178.356 177.300 -0.341 0.000 1.147 232 P CA 1.704 64.521 63.100 -0.472 0.000 0.790 232 P CB -0.106 31.313 31.700 -0.469 0.000 0.780 233 W N -0.904 120.246 121.300 -0.250 0.000 3.139 233 W HA 0.502 5.162 4.660 -0.000 0.000 0.260 233 W C 1.176 177.720 176.519 0.041 0.000 1.312 233 W CA 0.405 57.679 57.345 -0.119 0.000 1.606 233 W CB -1.235 28.175 29.460 -0.083 0.000 1.118 233 W HN -0.106 nan 8.180 nan 0.000 0.675 234 A N 1.245 123.731 122.820 -0.557 0.000 2.178 234 A HA 0.189 4.509 4.320 -0.001 0.000 0.211 234 A C 1.009 178.379 177.584 -0.357 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 -1.670 113.826 115.700 -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 -1.103 118.690 119.914 -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 -0.510 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 1.453 nan 8.190 nan 0.000 0.441 237 S N 0.505 116.136 115.700 -0.114 0.000 2.624 237 S HA 0.347 4.817 4.470 -0.001 0.000 0.263 237 S C 1.290 175.836 174.600 -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 64.369 63.200 -0.084 0.000 0.950 237 S HN 2.073 nan 8.310 nan 0.000 0.561 238 V N -1.302 118.549 119.914 -0.105 0.000 2.515 238 V HA 0.010 4.130 4.120 -0.001 0.000 0.250 238 V C 2.579 178.654 176.094 -0.032 0.000 1.058 238 V CA 1.617 63.864 62.300 -0.088 0.000 1.064 238 V CB -2.062 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 0.688 123.485 122.820 -0.038 0.000 1.902 239 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 239 A C 2.220 179.781 177.584 -0.038 0.000 1.181 239 A CA 2.068 54.090 52.037 -0.024 0.000 0.623 239 A CB -0.632 18.352 19.000 -0.026 0.000 0.818 239 A HN 0.633 nan 8.150 nan 0.000 0.443 240 E N 0.063 120.229 120.200 -0.057 0.000 2.072 240 E HA -0.007 4.343 4.350 -0.001 0.000 0.191 240 E C 1.986 178.542 176.600 -0.074 0.000 0.985 240 E CA 1.492 57.845 56.400 -0.080 0.000 0.801 240 E CB -0.842 28.799 29.700 -0.098 0.000 0.750 240 E HN 0.374 nan 8.360 nan 0.000 0.452 241 G N 0.825 109.596 108.800 -0.049 0.000 2.446 241 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.217 241 G HA3 -0.365 3.594 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 0.958 46.052 45.100 -0.010 0.000 0.771 241 G HN 0.338 nan 8.290 nan 0.000 0.551 242 R N 0.266 120.770 120.500 0.007 0.000 2.083 242 R HA -0.062 4.278 4.340 -0.001 0.000 0.237 242 R C 2.583 178.878 176.300 -0.008 0.000 1.137 242 R CA 1.651 57.755 56.100 0.007 0.000 0.951 242 R CB -0.395 29.914 30.300 0.014 0.000 0.851 242 R HN 0.322 nan 8.270 nan 0.000 0.434 243 R N 0.359 120.843 120.500 -0.027 0.000 2.083 243 R HA -0.158 4.182 4.340 -0.001 0.000 0.237 243 R C 2.282 178.555 176.300 -0.045 0.000 1.137 243 R CA 2.054 58.129 56.100 -0.043 0.000 0.951 243 R CB -0.119 30.141 30.300 -0.067 0.000 0.851 243 R HN 0.305 nan 8.270 nan 0.000 0.434 244 R N -0.368 120.096 120.500 -0.059 0.000 2.092 244 R HA -0.037 4.302 4.340 -0.001 0.000 0.231 244 R C 2.336 178.676 176.300 0.067 0.000 1.119 244 R CA 1.147 57.203 56.100 -0.074 0.000 0.970 244 R CB -0.279 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 0.830 123.717 122.820 0.111 0.000 1.902 245 A HA -0.110 4.210 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 1.351 53.442 52.037 0.090 0.000 0.623 245 A CB -0.492 18.502 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 -0.213 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 2.329 64.623 62.300 -0.009 0.000 1.035 246 V CB -0.676 31.139 31.823 -0.013 0.000 0.658 246 V HN 0.682 nan 8.190 nan 0.000 0.452 247 E N 0.328 120.529 120.200 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 1.265 57.667 56.400 0.003 0.000 0.804 247 E CB -0.448 29.239 29.700 -0.022 0.000 0.745 247 E HN 0.431 nan 8.360 nan 0.000 0.458 248 L N -0.139 121.124 121.223 0.066 0.000 2.012 248 L HA -0.059 4.281 4.340 -0.001 0.000 0.210 248 L C 2.225 179.113 176.870 0.031 0.000 1.073 248 L CA 2.412 57.302 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 0.273 nan 8.230 nan 0.000 0.431 249 G N -1.098 107.706 108.800 0.006 0.000 2.440 249 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 249 G HA3 -0.275 3.684 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 0.734 45.834 45.100 -0.001 0.000 0.767 249 G HN 0.334 nan 8.290 nan 0.000 0.552 250 R N 0.217 120.724 120.500 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 -0.453 29.854 30.300 0.010 0.000 0.856 250 R HN 0.378 nan 8.270 nan 0.000 0.437 251 N N 0.595 119.312 118.700 0.029 0.000 2.364 251 N HA -0.119 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 53.974 53.050 0.038 0.000 0.883 251 N CB 0.125 38.642 38.487 0.051 0.000 0.965 251 N HN 0.222 nan 8.380 nan 0.000 0.438 252 L N 0.268 121.511 121.223 0.032 0.000 2.769 252 L HA 0.190 4.530 4.340 -0.001 0.000 0.240 252 L C -0.457 176.429 176.870 0.027 0.000 1.163 252 L CA -0.102 54.757 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 -1.231 117.484 118.700 0.026 0.000 2.740 253 N HA -0.178 4.562 4.740 -0.001 0.000 0.248 253 N C -0.171 175.354 175.510 0.025 0.000 1.062 253 N CA 0.328 53.392 53.050 0.024 0.000 0.704 253 N CB -1.719 36.783 38.487 0.025 0.000 0.968 253 N HN 0.282 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 4.813 4.570 -0.001 0.000 0.385 254 c C 1.291 175.396 174.090 0.026 0.000 1.264 254 c CA -1.006 55.339 56.329 0.026 0.000 2.342 254 c CB 0.599 43.121 42.510 0.020 0.000 2.564 254 c HN 0.462 nan 8.230 nan 0.000 0.603 255 N N 1.655 120.375 118.700 0.035 0.000 2.440 255 N HA 0.067 4.806 4.740 -0.001 0.000 0.265 255 N C 0.042 175.565 175.510 0.022 0.000 1.239 255 N CA 0.348 53.416 53.050 0.029 0.000 0.909 255 N CB 0.351 38.861 38.487 0.037 0.000 1.066 255 N HN 0.614 nan 8.380 nan 0.000 0.474 256 L N 2.853 124.084 121.223 0.013 0.000 2.769 256 L HA 0.210 4.550 4.340 -0.001 0.000 0.240 256 L C 1.161 178.033 176.870 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 0.472 119.176 118.700 0.006 0.000 2.396 257 N HA -0.053 4.687 4.740 -0.001 0.000 0.180 257 N C 0.718 176.228 175.510 0.000 0.000 1.028 257 N CA 0.744 53.795 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 -1.600 114.101 115.700 0.001 0.000 2.596 258 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 258 S C -0.053 174.546 174.600 -0.001 0.000 1.155 258 S CA -0.843 57.356 58.200 -0.001 0.000 0.827 258 S CB 1.680 64.879 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 -0.018 0.000 0.947 259 D HN 0.690 nan 8.370 nan 0.000 0.452 260 E N 0.764 120.971 120.200 0.011 0.000 2.077 260 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 260 E C 2.059 178.692 176.600 0.054 0.000 0.989 260 E CA 0.957 57.374 56.400 0.029 0.000 0.800 260 E CB -0.220 29.487 29.700 0.011 0.000 0.746 260 E HN 0.429 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 1.920 178.571 176.600 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 1.048 122.296 121.223 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 0.018 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 0.121 nan 8.230 nan 0.000 0.431 263 I N -0.923 119.661 120.570 0.023 0.000 2.226 263 I HA -0.340 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 1.620 62.953 61.300 0.055 0.000 1.374 263 I CB -0.502 37.535 38.000 0.061 0.000 1.057 263 I HN 0.474 nan 8.210 nan 0.000 0.413 264 H N 0.174 119.276 119.070 0.053 0.000 2.321 264 H HA -0.245 4.310 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 2.262 58.342 56.048 0.054 0.000 1.319 264 H CB -0.360 29.422 29.762 0.033 0.000 1.379 264 H HN 0.467 nan 8.280 nan 0.000 0.501 265 c N 0.208 118.830 118.600 0.036 0.000 2.413 265 c HA -0.122 4.447 4.570 -0.001 0.000 0.276 265 c C 2.743 176.815 174.090 -0.031 0.000 1.236 265 c CA 1.246 57.567 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 0.144 121.384 121.223 0.028 0.000 2.131 266 L HA -0.085 4.255 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 1.436 56.333 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 0.372 nan 8.230 nan 0.000 0.435 267 R N -0.133 120.413 120.500 0.076 0.000 2.189 267 R HA -0.086 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 -0.026 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 0.412 120.530 120.200 -0.137 0.000 2.299 268 E HA -0.024 4.326 4.350 -0.001 0.000 0.193 268 E C 0.025 176.598 176.600 -0.044 0.000 0.998 268 E CA 0.463 56.791 56.400 -0.120 0.000 0.851 268 E CB 0.301 29.902 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 4.463 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 0.125 56.422 56.287 0.017 0.000 0.953 269 K CB 0.618 33.136 32.500 0.031 0.000 0.956 269 K HN -0.043 nan 8.250 nan 0.000 0.477 270 K N 2.598 123.028 120.400 0.049 0.000 2.319 270 K HA 0.006 4.325 4.320 -0.001 0.000 0.265 270 K C -1.541 175.136 176.600 0.129 0.000 1.000 270 K CA -1.401 54.926 56.287 0.066 0.000 0.943 270 K CB 0.144 32.674 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 1.129 178.624 177.300 0.326 0.000 1.153 271 P CA 1.237 64.547 63.100 0.350 0.000 0.858 271 P CB 0.255 32.003 31.700 0.080 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 1.915 178.008 176.000 0.156 0.000 0.975 272 Q CA 1.634 57.533 55.803 0.159 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 -0.811 119.467 120.200 0.130 0.000 2.110 273 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 273 E C 1.641 178.306 176.600 0.108 0.000 0.988 273 E CA 1.072 57.535 56.400 0.104 0.000 0.804 273 E CB -0.045 29.700 29.700 0.076 0.000 0.745 273 E HN 0.247 nan 8.360 nan 0.000 0.458 274 L N 0.557 121.847 121.223 0.111 0.000 2.027 274 L HA -0.144 4.196 4.340 -0.001 0.000 0.206 274 L C 2.231 179.172 176.870 0.118 0.000 1.074 274 L CA 1.404 56.273 54.840 0.049 0.000 0.745 274 L CB -0.460 41.524 42.059 -0.126 0.000 0.898 274 L HN 0.140 nan 8.230 nan 0.000 0.433 275 I N -0.460 120.240 120.570 0.217 0.000 2.226 275 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 275 I C 1.900 178.191 176.117 0.289 0.000 1.100 275 I CA 1.125 62.598 61.300 0.287 0.000 1.374 275 I CB -0.395 37.811 38.000 0.344 0.000 1.057 275 I HN 0.255 nan 8.210 nan 0.000 0.413 276 D N 0.184 120.725 120.400 0.235 0.000 2.218 276 D HA -0.119 4.521 4.640 -0.001 0.000 0.204 276 D C 1.907 178.335 176.300 0.212 0.000 0.976 276 D CA 1.460 55.594 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 -2.571 117.449 119.914 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 0.017 62.407 62.300 0.152 0.000 1.065 277 V CB 0.326 32.214 31.823 0.108 0.000 0.904 277 V HN -0.064 nan 8.190 nan 0.000 0.435 278 E N 0.834 121.117 120.200 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 -0.133 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 0.807 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 0.120 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 0.141 118.929 118.700 0.145 0.000 2.550 280 N HA -0.095 4.645 4.740 -0.001 0.000 0.186 280 N C 1.689 177.207 175.510 0.014 0.000 1.110 280 N CA 1.366 54.465 53.050 0.082 0.000 0.912 280 N CB -0.483 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 -2.351 117.536 119.914 -0.044 0.000 3.647 281 V HA 0.254 4.373 4.120 -0.001 0.000 0.279 281 V C 0.775 176.771 176.094 -0.163 0.000 1.314 281 V CA -0.110 62.124 62.300 -0.109 0.000 1.125 281 V CB -0.573 31.154 31.823 -0.159 0.000 0.907 281 V HN -0.024 nan 8.190 nan 0.000 0.434 282 L N 2.330 123.475 121.223 -0.130 0.000 2.485 282 L HA 0.213 4.553 4.340 -0.001 0.000 0.275 282 L C -0.415 176.349 176.870 -0.178 0.000 1.207 282 L CA -0.830 53.926 54.840 -0.140 0.000 0.855 282 L CB 0.682 42.721 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 -0.278 176.687 177.300 -0.559 0.000 1.161 283 P CA 0.949 63.723 63.100 -0.544 0.000 0.788 283 P CB 0.322 31.482 31.700 -0.901 0.000 0.822 284 F N -0.398 119.547 119.950 -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 -1.794 56.207 58.000 0.001 0.000 0.954 284 F CB 0.269 39.275 39.000 0.010 0.000 1.301 284 F HN -0.371 nan 8.300 nan 0.000 0.482 285 D N 1.508 122.043 120.400 0.224 0.000 2.342 285 D HA 0.336 4.975 4.640 -0.001 0.000 0.260 285 D C -0.660 175.704 176.300 0.106 0.000 1.278 285 D CA 0.423 54.495 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 2.834 118.588 115.700 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 0.029 0.000 1.138 286 S CA -1.039 57.203 58.200 0.069 0.000 0.844 286 S CB 1.131 64.401 63.200 0.117 0.000 1.127 286 S HN 0.435 nan 8.310 nan 0.000 0.474 287 I N -2.462 118.119 120.570 0.018 0.000 2.910 287 I HA 0.769 4.939 4.170 -0.001 0.000 0.310 287 I C -0.317 175.794 176.117 -0.011 0.000 1.043 287 I CA -1.136 60.171 61.300 0.010 0.000 1.053 287 I CB 1.052 39.076 38.000 0.041 0.000 1.242 287 I HN 0.747 nan 8.210 nan 0.000 0.452 288 F N 1.829 121.590 119.950 -0.315 0.000 3.091 288 F HA -0.180 4.347 4.527 -0.001 0.000 0.288 288 F C -0.343 174.930 175.800 -0.878 0.000 0.907 288 F CA 0.603 58.147 58.000 -0.760 0.000 1.028 288 F CB -0.671 37.863 39.000 -0.777 0.000 1.022 288 F HN 0.594 nan 8.300 nan 0.000 0.665 289 R N 0.422 120.535 120.500 -0.645 0.000 2.628 289 R HA 0.647 4.987 4.340 -0.001 0.000 0.288 289 R C -0.921 175.023 176.300 -0.593 0.000 0.980 289 R CA -0.558 55.213 56.100 -0.549 0.000 0.891 289 R CB 1.375 31.604 30.300 -0.119 0.000 1.188 289 R HN -0.010 nan 8.270 nan 0.000 0.450 290 F N -0.865 119.169 119.950 0.140 0.000 2.563 290 F HA 0.397 4.923 4.527 -0.001 0.000 0.316 290 F C 1.522 177.209 175.800 -0.189 0.000 1.076 290 F CA -0.889 57.096 58.000 -0.026 0.000 0.921 290 F CB 1.693 40.791 39.000 0.163 0.000 1.209 290 F HN 0.335 nan 8.300 nan 0.000 0.462 291 S N 0.419 115.949 115.700 -0.284 0.000 2.345 291 S HA 0.037 4.506 4.470 -0.001 0.000 0.219 291 S C 0.018 174.167 174.600 -0.753 0.000 1.031 291 S CA 1.078 58.907 58.200 -0.619 0.000 0.984 291 S CB -0.190 62.480 63.200 -0.883 0.000 0.874 291 S HN 0.342 nan 8.310 nan 0.000 0.451 292 F N 1.886 121.838 119.950 0.003 0.000 2.347 292 F HA 0.540 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 -1.011 57.031 58.000 0.070 0.000 1.058 292 F CB 1.088 40.165 39.000 0.128 0.000 1.236 292 F HN -0.095 nan 8.300 nan 0.000 0.456 293 V N 0.848 120.761 119.914 -0.001 0.000 3.141 293 V HA 0.755 4.875 4.120 -0.001 0.000 0.312 293 V C -2.886 172.937 176.094 -0.451 0.000 1.157 293 V CA -3.383 58.631 62.300 -0.477 0.000 1.041 293 V CB 2.037 33.699 31.823 -0.268 0.000 1.071 293 V HN 0.233 nan 8.190 nan 0.000 0.441 294 P HA 0.153 nan 4.420 nan 0.000 0.264 294 P C -0.734 176.477 177.300 -0.148 0.000 1.179 294 P CA 0.436 63.347 63.100 -0.314 0.000 0.763 294 P CB 0.450 31.877 31.700 -0.454 0.000 0.806 295 V N 5.081 125.005 119.914 0.016 0.000 2.555 295 V HA 0.239 4.359 4.120 -0.001 0.000 0.302 295 V C 0.318 176.452 176.094 0.067 0.000 1.038 295 V CA -0.722 61.576 62.300 -0.003 0.000 0.887 295 V CB 1.777 33.615 31.823 0.025 0.000 0.991 295 V HN 0.339 nan 8.190 nan 0.000 0.434 296 I N 5.411 125.951 120.570 -0.050 0.000 2.357 296 I HA 0.134 4.304 4.170 -0.001 0.000 0.300 296 I C 0.972 177.097 176.117 0.014 0.000 1.159 296 I CA 0.198 61.493 61.300 -0.009 0.000 1.339 296 I CB 0.016 37.931 38.000 -0.141 0.000 1.458 296 I HN 0.785 nan 8.210 nan 0.000 0.577 297 D N 3.356 123.835 120.400 0.132 0.000 2.379 297 D HA 0.058 4.698 4.640 -0.001 0.000 0.208 297 D C 1.360 177.678 176.300 0.031 0.000 1.065 297 D CA 0.634 54.626 54.000 -0.013 0.000 0.848 297 D CB 0.532 41.406 40.800 0.123 0.000 0.949 297 D HN 0.631 nan 8.370 nan 0.000 0.509 298 G N 0.845 109.707 108.800 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 0.612 175.578 174.900 0.110 0.000 0.976 298 G CA 0.818 45.978 45.100 0.100 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 0.351 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 -0.076 56.377 56.400 0.088 0.000 1.335 299 E CB -0.170 29.598 29.700 0.112 0.000 1.680 299 E HN 0.227 nan 8.360 nan 0.000 0.503 300 F N 0.875 120.759 119.950 -0.109 0.000 2.095 300 F HA 0.009 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 1.283 59.083 58.000 -0.334 0.000 1.232 300 F CB 0.194 38.914 39.000 -0.467 0.000 0.987 300 F HN -0.041 nan 8.300 nan 0.000 0.475 301 F N 1.492 121.595 119.950 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 -2.894 55.187 58.000 0.135 0.000 1.058 301 F CB 0.539 39.617 39.000 0.130 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 31.952 31.700 0.045 0.000 0.787 303 T N -4.196 110.421 114.554 0.105 0.000 2.693 303 T HA 0.458 4.808 4.350 -0.001 0.000 0.278 303 T C -0.050 174.689 174.700 0.065 0.000 0.994 303 T CA -0.604 61.537 62.100 0.068 0.000 1.033 303 T CB 0.891 69.785 68.868 0.043 0.000 1.342 303 T HN 0.051 nan 8.240 nan 0.000 0.538 304 S N 0.092 115.805 115.700 0.022 0.000 2.566 304 S HA 0.164 4.633 4.470 -0.001 0.000 0.280 304 S C 1.515 176.113 174.600 -0.004 0.000 1.343 304 S CA -0.723 57.467 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 0.487 121.670 121.223 -0.066 0.000 2.042 305 L HA -0.122 4.217 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 1.938 56.758 54.840 -0.034 0.000 0.749 305 L CB -0.776 41.198 42.059 -0.142 0.000 0.893 305 L HN 0.813 nan 8.230 nan 0.000 0.432 306 E N 0.729 120.950 120.200 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 1.773 58.226 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 0.492 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 -0.158 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 1.253 59.486 58.200 0.055 0.000 0.981 307 S CB -0.408 62.812 63.200 0.033 0.000 0.818 307 S HN 0.251 nan 8.310 nan 0.000 0.472 308 M N 1.106 120.759 119.600 0.089 0.000 2.080 308 M HA -0.014 4.465 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 1.548 56.923 55.300 0.125 0.000 1.109 308 M CB -0.733 31.976 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 2.212 179.243 176.870 0.269 0.000 1.085 309 L CA 0.857 55.883 54.840 0.309 0.000 0.755 309 L CB -0.760 41.401 42.059 0.170 0.000 0.904 309 L HN 0.352 nan 8.230 nan 0.000 0.435 310 N N -0.248 118.550 118.700 0.163 0.000 2.188 310 N HA -0.136 4.603 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 1.704 54.843 53.050 0.148 0.000 0.858 310 N CB -0.145 38.408 38.487 0.111 0.000 0.989 310 N HN 0.330 nan 8.380 nan 0.000 0.426 311 S N -1.174 114.509 115.700 -0.029 0.000 2.575 311 S HA 0.254 4.724 4.470 -0.001 0.000 0.215 311 S C 1.269 175.478 174.600 -0.652 0.000 0.966 311 S CA 0.395 58.492 58.200 -0.172 0.000 0.911 311 S CB 0.156 63.283 63.200 -0.121 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 3.674 3.960 -0.001 0.000 0.252 312 G HA3 -0.286 3.674 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 0.591 118.871 118.700 -0.699 0.000 2.895 313 N HA 0.510 5.250 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 -0.127 52.713 53.050 -0.350 0.000 1.106 313 N CB -0.848 37.560 38.487 -0.132 0.000 1.422 313 N HN 0.670 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 0.411 4.937 4.527 -0.000 0.000 0.316 314 F C -0.259 175.555 175.800 0.024 0.000 1.162 314 F CA -1.447 56.569 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 1.831 122.470 120.400 0.398 0.000 2.447 315 K HA 0.184 4.504 4.320 -0.001 0.000 0.281 315 K C -0.971 175.874 176.600 0.409 0.000 1.031 315 K CA -0.144 56.298 56.287 0.259 0.000 1.019 315 K CB 0.476 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 3.193 123.708 120.400 0.192 0.000 2.264 316 K HA 0.156 4.475 4.320 -0.001 0.000 0.277 316 K C -0.244 176.476 176.600 0.200 0.000 1.067 316 K CA -0.345 56.053 56.287 0.184 0.000 0.900 316 K CB 1.741 34.259 32.500 0.030 0.000 1.124 316 K HN 0.621 nan 8.250 nan 0.000 0.469 317 T N 1.386 116.146 114.554 0.344 0.000 2.630 317 T HA 0.206 4.556 4.350 -0.001 0.000 0.300 317 T C -1.502 173.401 174.700 0.339 0.000 1.261 317 T CA -0.675 61.579 62.100 0.256 0.000 1.060 317 T CB 0.915 69.899 68.868 0.193 0.000 1.670 317 T HN 0.402 nan 8.240 nan 0.000 0.473 318 Q N 1.183 121.144 119.800 0.269 0.000 2.230 318 Q HA 0.730 5.070 4.340 -0.001 0.000 0.253 318 Q C -0.320 175.965 176.000 0.474 0.000 0.919 318 Q CA -0.443 55.574 55.803 0.356 0.000 0.908 318 Q CB 1.219 30.137 28.738 0.300 0.000 1.245 318 Q HN 0.672 nan 8.270 nan 0.000 0.437 319 I N -1.258 119.537 120.570 0.374 0.000 2.730 319 I HA 0.715 4.884 4.170 -0.001 0.000 0.298 319 I C -1.409 174.600 176.117 -0.180 0.000 1.089 319 I CA -1.403 59.982 61.300 0.141 0.000 1.041 319 I CB 1.819 39.728 38.000 -0.151 0.000 1.235 319 I HN 0.543 nan 8.210 nan 0.000 0.423 320 L N 6.926 127.791 121.223 -0.596 0.000 2.385 320 L HA 0.816 5.155 4.340 -0.001 0.000 0.273 320 L C -1.252 175.413 176.870 -0.343 0.000 0.990 320 L CA -0.545 53.852 54.840 -0.739 0.000 0.821 320 L CB 1.708 42.798 42.059 -1.614 0.000 1.279 320 L HN 0.880 nan 8.230 nan 0.000 0.412 321 L N 2.471 123.633 121.223 -0.102 0.000 2.892 321 L HA 1.094 5.433 4.340 -0.001 0.000 0.269 321 L C -0.798 175.889 176.870 -0.305 0.000 1.058 321 L CA -0.294 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 -0.222 108.213 108.800 -0.608 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 -1.557 172.983 174.900 -0.601 0.000 1.287 322 G CA 0.046 44.477 45.100 -1.115 0.000 0.850 322 G HN 1.698 nan 8.290 nan 0.000 0.515 323 V N -2.630 117.079 119.914 -0.342 0.000 3.181 323 V HA 0.890 5.010 4.120 -0.001 0.000 0.308 323 V C -0.958 175.217 176.094 0.135 0.000 1.214 323 V CA -1.398 60.928 62.300 0.044 0.000 1.053 323 V CB 1.831 33.707 31.823 0.089 0.000 1.069 323 V HN 0.766 nan 8.190 nan 0.000 0.441 324 N N 0.792 119.586 118.700 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 52.682 53.050 0.095 0.000 0.969 324 N CB 1.657 40.312 38.487 0.280 0.000 1.201 324 N HN 0.942 nan 8.380 nan 0.000 0.523 325 K N -0.023 120.223 120.400 -0.256 0.000 2.057 325 K HA -0.054 4.266 4.320 -0.001 0.000 0.207 325 K C -0.638 176.056 176.600 0.156 0.000 1.049 325 K CA 1.263 57.501 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 1.444 121.926 120.400 0.138 0.000 2.551 326 D HA 0.041 4.681 4.640 -0.001 0.000 0.294 326 D C 0.006 176.421 176.300 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 0.501 120.838 120.200 0.227 0.000 2.208 327 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 327 E C 1.966 178.740 176.600 0.289 0.000 0.988 327 E CA 0.339 56.913 56.400 0.289 0.000 0.828 327 E CB 0.247 30.102 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 3.771 3.960 -0.001 0.000 0.216 328 G HA3 -0.188 3.771 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 0.854 46.099 45.100 0.243 0.000 0.801 328 G HN 0.364 nan 8.290 nan 0.000 0.536 329 S N 0.457 116.260 115.700 0.172 0.000 2.382 329 S HA -0.084 4.386 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 59.049 58.200 0.107 0.000 0.991 329 S CB -0.505 62.676 63.200 -0.031 0.000 0.823 329 S HN 0.103 nan 8.310 nan 0.000 0.469 330 F N 2.067 121.884 119.950 -0.221 0.000 2.095 330 F HA 0.032 4.558 4.527 -0.001 0.000 0.298 330 F C 1.853 177.378 175.800 -0.459 0.000 1.104 330 F CA 0.470 58.171 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 -0.814 119.138 119.950 0.003 0.000 2.293 331 F HA -0.067 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 0.597 58.527 58.000 -0.117 0.000 1.377 331 F CB -1.029 37.801 39.000 -0.282 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 2.498 179.254 176.870 -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 -1.020 120.300 121.223 0.163 0.000 2.013 333 L HA -0.281 4.059 4.340 -0.001 0.000 0.212 333 L C 2.326 179.387 176.870 0.318 0.000 1.073 333 L CA 2.050 57.151 54.840 0.436 0.000 0.753 333 L CB -0.683 41.662 42.059 0.478 0.000 0.890 333 L HN 0.126 nan 8.230 nan 0.000 0.432 334 Y N -0.815 119.557 120.300 0.120 0.000 2.420 334 Y HA 0.167 4.717 4.550 -0.001 0.000 0.292 334 Y C 2.323 178.224 175.900 0.002 0.000 1.119 334 Y CA 1.133 59.268 58.100 0.058 0.000 1.229 334 Y CB -0.252 38.185 38.460 -0.039 0.000 1.026 334 Y HN 0.284 nan 8.280 nan 0.000 0.554 335 G N -1.712 107.173 108.800 0.143 0.000 3.104 335 G HA2 0.455 4.414 3.960 -0.001 0.000 0.237 335 G HA3 0.455 4.414 3.960 -0.001 0.000 0.237 335 G C -0.077 174.855 174.900 0.052 0.000 1.035 335 G CA 0.454 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 0.074 0.000 2.342 336 A HA 0.813 5.132 4.320 -0.001 0.000 0.323 336 A C -2.663 175.075 177.584 0.257 0.000 1.125 336 A CA -1.573 50.541 52.037 0.127 0.000 0.785 336 A CB 1.658 20.693 19.000 0.058 0.000 1.221 336 A HN 0.039 nan 8.150 nan 0.000 0.463 337 P HA 0.294 nan 4.420 nan 0.000 0.268 337 P C 0.876 178.256 177.300 0.133 0.000 1.205 337 P CA 1.467 64.648 63.100 0.135 0.000 0.771 337 P CB 1.113 32.857 31.700 0.073 0.000 0.858 338 G N 1.448 110.260 108.800 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 -0.477 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 2.562 122.456 119.950 -0.094 0.000 2.415 339 F HA 0.661 5.187 4.527 -0.001 0.000 0.348 339 F C 0.787 176.604 175.800 0.028 0.000 1.119 339 F CA 0.010 57.927 58.000 -0.137 0.000 1.069 339 F CB 2.096 41.069 39.000 -0.045 0.000 1.124 339 F HN 0.306 nan 8.300 nan 0.000 0.472 340 S N 1.717 117.544 115.700 0.212 0.000 2.588 340 S HA 0.393 4.863 4.470 -0.001 0.000 0.275 340 S C 0.386 175.230 174.600 0.405 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 -0.074 120.508 120.400 0.304 0.000 2.097 341 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 341 K C -0.086 176.588 176.600 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 32.164 32.500 -0.349 0.000 0.718 341 K HN 0.606 nan 8.250 nan 0.000 0.442 342 D N 0.162 120.616 120.400 0.090 0.000 2.424 342 D HA 0.028 4.668 4.640 -0.001 0.000 0.220 342 D C -0.144 176.203 176.300 0.079 0.000 1.150 342 D CA 0.108 54.136 54.000 0.046 0.000 0.831 342 D CB 0.844 41.638 40.800 -0.011 0.000 0.981 342 D HN 0.152 nan 8.370 nan 0.000 0.500 343 S N -1.085 114.691 115.700 0.126 0.000 2.667 343 S HA 0.326 4.795 4.470 -0.001 0.000 0.292 343 S C 0.747 175.394 174.600 0.079 0.000 1.126 343 S CA -0.695 57.542 58.200 0.062 0.000 0.881 343 S CB 2.339 65.529 63.200 -0.016 0.000 1.132 343 S HN -0.146 nan 8.310 nan 0.000 0.492 344 E N 0.870 121.073 120.200 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 0.585 56.966 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 0.713 nan 8.360 nan 0.000 0.533 345 S N 1.007 116.422 115.700 -0.476 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 58.401 58.200 -0.731 0.000 1.167 345 S CB -1.172 61.204 63.200 -1.374 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 0.256 176.662 176.600 -0.323 0.000 1.018 346 K CA 0.037 56.151 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 2.868 123.266 120.570 -0.286 0.000 2.362 347 I HA 0.040 4.210 4.170 -0.001 0.000 0.289 347 I C 0.827 176.868 176.117 -0.128 0.000 0.994 347 I CA -0.366 60.776 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 6.004 121.644 115.700 -0.100 0.000 2.589 348 S HA 0.169 4.638 4.470 -0.001 0.000 0.265 348 S C 1.252 175.851 174.600 -0.001 0.000 1.342 348 S CA -0.299 57.868 58.200 -0.054 0.000 1.005 348 S CB 1.360 64.535 63.200 -0.040 0.000 0.909 348 S HN 0.628 nan 8.310 nan 0.000 0.555 349 R N 1.013 121.507 120.500 -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 2.231 58.343 56.100 0.020 0.000 0.967 349 R CB -0.766 29.535 30.300 0.000 0.000 0.861 349 R HN 0.941 nan 8.270 nan 0.000 0.442 350 E N -0.397 119.847 120.200 0.073 0.000 2.072 350 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 350 E C 0.771 177.419 176.600 0.080 0.000 0.985 350 E CA 1.526 57.970 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 -0.184 120.256 120.400 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 0.346 54.383 54.000 0.062 0.000 0.855 351 D CB -0.315 40.483 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 4.299 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 1.324 59.336 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 -0.445 119.245 119.600 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 -0.018 0.000 1.065 353 M CA 1.522 56.858 55.300 0.059 0.000 1.114 353 M CB -1.727 30.945 32.600 0.119 0.000 1.361 353 M HN 0.090 nan 8.290 nan 0.000 0.408 354 S N 0.877 116.583 115.700 0.011 0.000 2.370 354 S HA -0.090 4.380 4.470 -0.001 0.000 0.226 354 S C 2.102 176.687 174.600 -0.025 0.000 1.033 354 S CA 1.490 59.693 58.200 0.004 0.000 1.011 354 S CB -0.870 62.349 63.200 0.031 0.000 0.852 354 S HN 0.683 nan 8.310 nan 0.000 0.457 355 G N 1.307 110.084 108.800 -0.038 0.000 2.446 355 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.217 355 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.217 355 G C 1.471 176.269 174.900 -0.170 0.000 1.168 355 G CA 1.050 46.109 45.100 -0.069 0.000 0.771 355 G HN 0.420 nan 8.290 nan 0.000 0.551 356 V N 0.715 120.456 119.914 -0.288 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 2.255 64.396 62.300 -0.265 0.000 1.038 356 V CB -0.393 31.256 31.823 -0.289 0.000 0.651 356 V HN 0.367 nan 8.190 nan 0.000 0.450 357 K N -0.335 119.999 120.400 -0.109 0.000 2.057 357 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 357 K C 2.120 178.668 176.600 -0.086 0.000 1.049 357 K CA 1.436 57.670 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 0.336 121.523 121.223 -0.061 0.000 2.141 358 L HA -0.138 4.202 4.340 -0.001 0.000 0.209 358 L C 2.265 179.109 176.870 -0.043 0.000 1.094 358 L CA 0.958 55.776 54.840 -0.035 0.000 0.763 358 L CB -0.171 41.880 42.059 -0.014 0.000 0.908 358 L HN 0.098 nan 8.230 nan 0.000 0.437 359 S N -0.997 114.659 115.700 -0.072 0.000 2.436 359 S HA -0.000 4.469 4.470 -0.001 0.000 0.228 359 S C 0.936 175.473 174.600 -0.104 0.000 1.014 359 S CA 0.488 58.645 58.200 -0.072 0.000 0.950 359 S CB 0.256 63.393 63.200 -0.105 0.000 0.784 359 S HN 0.161 nan 8.310 nan 0.000 0.504 360 V N 2.875 122.695 119.914 -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 -0.332 0.000 0.986 360 V CA -1.261 60.870 62.300 -0.282 0.000 1.033 360 V CB 0.817 32.468 31.823 -0.286 0.000 1.282 360 V HN 0.176 nan 8.190 nan 0.000 0.514 361 P HA -0.134 nan 4.420 nan 0.000 0.223 361 P C 1.142 177.958 177.300 -0.806 0.000 1.151 361 P CA 1.282 64.165 63.100 -0.362 0.000 0.787 361 P CB 0.071 31.679 31.700 -0.153 0.000 0.788 362 H N -0.803 117.871 119.070 -0.660 0.000 2.547 362 H HA 0.404 4.959 4.556 -0.001 0.000 0.266 362 H C 0.478 175.600 175.328 -0.342 0.000 0.988 362 H CA -0.169 55.503 56.048 -0.627 0.000 1.147 362 H CB -0.619 28.997 29.762 -0.244 0.000 1.365 362 H HN -0.049 nan 8.280 nan 0.000 0.589 363 A N 2.443 124.875 122.820 -0.648 0.000 2.340 363 A HA 0.245 4.564 4.320 -0.001 0.000 0.268 363 A C 0.435 177.870 177.584 -0.249 0.000 1.100 363 A CA -0.438 51.345 52.037 -0.423 0.000 0.803 363 A CB 0.447 19.212 19.000 -0.391 0.000 1.043 363 A HN 0.656 nan 8.150 nan 0.000 0.488 364 N N 1.156 119.759 118.700 -0.162 0.000 2.322 364 N HA 0.096 4.836 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 -0.189 52.800 53.050 -0.101 0.000 0.948 364 N CB 0.072 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 -0.840 119.531 120.400 -0.048 0.000 2.117 365 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 365 D C 1.705 177.999 176.300 -0.009 0.000 0.987 365 D CA 0.733 54.718 54.000 -0.024 0.000 0.829 365 D CB -0.280 40.514 40.800 -0.009 0.000 0.961 365 D HN 0.447 nan 8.370 nan 0.000 0.460 366 L N 0.630 121.846 121.223 -0.013 0.000 2.042 366 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 366 L C 2.165 179.041 176.870 0.011 0.000 1.076 366 L CA 2.054 56.897 54.840 0.005 0.000 0.749 366 L CB -0.910 41.145 42.059 -0.006 0.000 0.893 366 L HN 0.085 nan 8.230 nan 0.000 0.432 367 G N -0.586 108.192 108.800 -0.036 0.000 2.418 367 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 367 G HA3 -0.232 3.728 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 1.058 46.129 45.100 -0.048 0.000 0.771 367 G HN 0.437 nan 8.290 nan 0.000 0.545 368 L N 0.477 121.689 121.223 -0.019 0.000 2.046 368 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 368 L C 2.538 179.450 176.870 0.070 0.000 1.077 368 L CA 1.234 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 0.279 120.726 120.400 0.079 0.000 2.123 369 D HA -0.172 4.467 4.640 -0.001 0.000 0.196 369 D C 2.239 178.629 176.300 0.150 0.000 0.992 369 D CA 1.526 55.596 54.000 0.116 0.000 0.833 369 D CB -0.099 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 0.524 123.449 122.820 0.175 0.000 1.877 370 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 370 A C 2.542 180.236 177.584 0.184 0.000 1.186 370 A CA 1.430 53.631 52.037 0.273 0.000 0.620 370 A CB -0.804 18.466 19.000 0.451 0.000 0.822 370 A HN 0.150 nan 8.150 nan 0.000 0.443 371 V N -0.273 119.764 119.914 0.206 0.000 2.295 371 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 371 V C 2.754 178.932 176.094 0.140 0.000 1.049 371 V CA 2.517 64.870 62.300 0.089 0.000 1.024 371 V CB -1.396 30.513 31.823 0.143 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 -0.232 4.118 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 2.035 64.309 62.100 0.291 0.000 1.148 372 T CB -0.408 68.638 68.868 0.297 0.000 0.863 372 T HN 0.302 nan 8.240 nan 0.000 0.436 373 L N 1.098 122.442 121.223 0.202 0.000 2.046 373 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 373 L C 2.471 179.354 176.870 0.021 0.000 1.077 373 L CA 1.804 56.764 54.840 0.201 0.000 0.747 373 L CB -0.781 41.370 42.059 0.154 0.000 0.896 373 L HN 0.120 nan 8.230 nan 0.000 0.432 374 Q N -1.439 118.272 119.800 -0.148 0.000 2.167 374 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 374 Q C 1.159 176.898 176.000 -0.435 0.000 0.970 374 Q CA 1.845 57.389 55.803 -0.433 0.000 0.855 374 Q CB -0.177 27.970 28.738 -0.985 0.000 0.911 374 Q HN 0.691 nan 8.270 nan 0.000 0.438 375 Y N -1.264 118.977 120.300 -0.099 0.000 2.531 375 Y HA 0.322 4.871 4.550 -0.001 0.000 0.249 375 Y C -0.182 175.675 175.900 -0.072 0.000 1.168 375 Y CA -0.204 57.899 58.100 0.005 0.000 1.226 375 Y CB 1.001 39.564 38.460 0.171 0.000 1.177 375 Y HN -0.182 nan 8.280 nan 0.000 0.527 376 T N 0.707 115.187 114.554 -0.122 0.000 2.767 376 T HA 0.081 4.430 4.350 -0.001 0.000 0.284 376 T C -0.720 173.684 174.700 -0.493 0.000 0.973 376 T CA -0.644 61.147 62.100 -0.515 0.000 0.996 376 T CB 0.985 69.269 68.868 -0.973 0.000 0.927 376 T HN -0.018 nan 8.240 nan 0.000 0.456 377 D N 1.986 122.127 120.400 -0.432 0.000 2.402 377 D HA 0.099 4.739 4.640 -0.001 0.000 0.235 377 D C 0.045 176.168 176.300 -0.295 0.000 1.226 377 D CA -0.635 53.206 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 4.693 4.660 -0.001 0.000 0.240 378 W C 1.924 178.414 176.519 -0.047 0.000 1.305 378 W CA -0.134 57.177 57.345 -0.056 0.000 1.465 378 W CB 0.045 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 -0.683 118.991 119.600 0.123 0.000 2.595 379 M HA 0.009 4.489 4.480 -0.001 0.000 0.248 379 M C 0.113 176.432 176.300 0.030 0.000 1.119 379 M CA 1.189 56.532 55.300 0.072 0.000 1.079 379 M CB 0.189 32.811 32.600 0.037 0.000 1.472 379 M HN -0.215 nan 8.290 nan 0.000 0.501 380 D N 0.034 120.425 120.400 -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 -0.055 0.000 1.373 380 D HN 0.232 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 0.554 176.698 176.300 -0.261 0.000 0.976 381 D CA 0.024 53.824 54.000 -0.332 0.000 0.884 381 D CB 0.246 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 0.830 119.446 118.700 -0.141 0.000 2.235 382 N HA -0.031 4.709 4.740 -0.001 0.000 0.209 382 N C -0.063 175.382 175.510 -0.109 0.000 1.122 382 N CA -0.149 52.835 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 0.816 119.439 118.700 -0.129 0.000 2.420 383 N HA 0.055 4.795 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 0.064 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 4.278 113.019 108.800 -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 1.491 176.329 174.900 -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 0.941 121.469 120.570 -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 1.127 62.409 61.300 -0.030 0.000 1.368 385 I CB -1.001 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 -0.175 4.145 4.320 -0.001 0.000 0.207 386 K C 1.872 178.450 176.600 -0.037 0.000 1.049 386 K CA 1.318 57.584 56.287 -0.035 0.000 0.931 386 K CB -0.152 32.294 32.500 -0.090 0.000 0.714 386 K HN 0.303 nan 8.250 nan 0.000 0.440 387 N N 0.785 119.426 118.700 -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 0.961 53.977 53.050 -0.057 0.000 0.852 387 N CB -0.208 38.199 38.487 -0.133 0.000 0.998 387 N HN 0.201 nan 8.380 nan 0.000 0.424 388 R N 0.972 121.522 120.500 0.083 0.000 2.070 388 R HA -0.105 4.234 4.340 -0.001 0.000 0.233 388 R C 0.840 177.310 176.300 0.284 0.000 1.137 388 R CA 1.595 57.770 56.100 0.125 0.000 0.945 388 R CB -0.076 30.180 30.300 -0.072 0.000 0.845 388 R HN 0.092 nan 8.270 nan 0.000 0.430 389 D N -0.515 120.015 120.400 0.217 0.000 2.144 389 D HA -0.092 4.548 4.640 -0.001 0.000 0.199 389 D C 1.720 178.177 176.300 0.261 0.000 0.984 389 D CA 1.428 55.571 54.000 0.237 0.000 0.834 389 D CB -0.543 40.364 40.800 0.178 0.000 0.955 389 D HN 0.517 nan 8.370 nan 0.000 0.465 390 G N 0.751 109.720 108.800 0.281 0.000 2.440 390 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 390 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 390 G C 1.759 176.841 174.900 0.303 0.000 1.154 390 G CA 0.263 45.588 45.100 0.375 0.000 0.767 390 G HN 0.255 nan 8.290 nan 0.000 0.552 391 L N 0.335 121.753 121.223 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 1.589 56.512 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 0.313 nan 8.230 nan 0.000 0.433 392 D N -0.034 120.487 120.400 0.202 0.000 2.116 392 D HA -0.261 4.378 4.640 -0.001 0.000 0.193 392 D C 1.709 178.096 176.300 0.144 0.000 0.998 392 D CA 1.717 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 -0.256 120.245 120.400 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 0.023 0.000 0.989 393 D CA 0.703 54.818 54.000 0.192 0.000 0.827 393 D CB -0.304 40.722 40.800 0.377 0.000 0.966 393 D HN 0.392 nan 8.370 nan 0.000 0.456 394 I N 0.528 120.951 120.570 -0.244 0.000 2.163 394 I HA -0.260 3.910 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 0.788 61.855 61.300 -0.390 0.000 1.347 394 I CB -0.158 37.591 38.000 -0.417 0.000 1.044 394 I HN -0.106 nan 8.210 nan 0.000 0.408 395 V N 0.716 120.551 119.914 -0.131 0.000 2.307 395 V HA -0.178 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 -0.130 108.651 108.800 -0.032 0.000 2.421 396 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.216 396 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.216 396 G C 1.237 176.082 174.900 -0.092 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 -0.230 120.116 120.400 -0.090 0.000 2.097 397 D HA -0.098 4.542 4.640 -0.001 0.000 0.195 397 D C 2.095 178.075 176.300 -0.534 0.000 0.989 397 D CA 1.400 55.316 54.000 -0.141 0.000 0.827 397 D CB -0.526 40.352 40.800 0.130 0.000 0.966 397 D HN 0.446 nan 8.370 nan 0.000 0.456 398 H N 0.679 119.117 119.070 -1.053 0.000 2.357 398 H HA 0.032 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 1.689 56.976 56.048 -1.270 0.000 1.342 398 H CB 0.098 28.957 29.762 -1.504 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 1.110 176.356 175.510 -0.441 0.000 1.048 399 N CA 0.989 53.546 53.050 -0.822 0.000 0.895 399 N CB 1.159 38.721 38.487 -1.542 0.000 1.036 399 N HN 0.262 nan 8.380 nan 0.000 0.449 400 V N 0.446 120.183 119.914 -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 -0.042 0.000 1.287 400 V CA -0.012 62.250 62.300 -0.063 0.000 1.302 400 V CB 0.142 32.007 31.823 0.070 0.000 1.228 400 V HN -0.064 nan 8.190 nan 0.000 0.523 401 I N 0.504 121.060 120.570 -0.023 0.000 2.163 401 I HA -0.249 3.921 4.170 -0.001 0.000 0.240 401 I C 2.533 178.660 176.117 0.017 0.000 1.081 401 I CA 1.740 63.057 61.300 0.028 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 0.761 119.359 118.600 -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 -1.911 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 1.166 64.238 63.100 -0.047 0.000 0.853 403 P CB -0.229 31.353 31.700 -0.197 0.000 0.788 404 L N -1.783 119.442 121.223 0.003 0.000 2.046 404 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 404 L C 2.181 179.093 176.870 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 -0.018 0.000 0.896 404 L HN -0.116 nan 8.230 nan 0.000 0.432 405 M N -1.048 118.583 119.600 0.051 0.000 2.159 405 M HA -0.240 4.240 4.480 -0.001 0.000 0.263 405 M C 2.258 178.616 176.300 0.096 0.000 1.063 405 M CA 1.698 57.025 55.300 0.044 0.000 1.110 405 M CB -1.618 31.026 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 1.890 57.980 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 0.348 120.272 119.950 -0.044 0.000 2.095 407 F HA -0.219 4.307 4.527 -0.001 0.000 0.298 407 F C 2.295 178.011 175.800 -0.139 0.000 1.104 407 F CA 1.608 59.537 58.000 -0.119 0.000 1.232 407 F CB -0.838 38.091 39.000 -0.118 0.000 0.987 407 F HN 0.064 nan 8.300 nan 0.000 0.475 408 V N 0.714 120.533 119.914 -0.158 0.000 2.282 408 V HA -0.388 3.731 4.120 -0.001 0.000 0.249 408 V C 2.009 177.931 176.094 -0.287 0.000 1.057 408 V CA 2.582 64.670 62.300 -0.352 0.000 1.032 408 V CB -0.965 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 -0.563 118.047 118.700 -0.149 0.000 2.171 409 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 409 N C 1.853 177.331 175.510 -0.055 0.000 1.021 409 N CA 0.771 53.827 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 0.307 nan 8.380 nan 0.000 0.426 410 K N 0.127 120.415 120.400 -0.186 0.000 2.057 410 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 410 K C 1.766 178.347 176.600 -0.032 0.000 1.049 410 K CA 1.034 57.253 56.287 -0.114 0.000 0.931 410 K CB -0.599 31.785 32.500 -0.194 0.000 0.714 410 K HN 0.341 nan 8.250 nan 0.000 0.440 411 Y N 2.295 122.335 120.300 -0.434 0.000 2.163 411 Y HA -0.196 4.353 4.550 -0.001 0.000 0.288 411 Y C 2.265 178.140 175.900 -0.040 0.000 1.136 411 Y CA 1.868 59.674 58.100 -0.490 0.000 1.147 411 Y CB -0.390 37.460 38.460 -1.017 0.000 0.987 411 Y HN 0.016 nan 8.280 nan 0.000 0.509 412 T N 0.628 115.216 114.554 0.058 0.000 2.849 412 T HA -0.231 4.119 4.350 -0.001 0.000 0.270 412 T C 1.839 176.553 174.700 0.023 0.000 1.066 412 T CA 1.630 63.800 62.100 0.116 0.000 1.130 412 T CB -0.261 68.769 68.868 0.269 0.000 0.864 412 T HN 0.302 nan 8.240 nan 0.000 0.481 413 K N -0.093 120.293 120.400 -0.024 0.000 2.147 413 K HA -0.055 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 1.337 57.490 56.287 -0.223 0.000 0.936 413 K CB -0.079 32.249 32.500 -0.286 0.000 0.722 413 K HN 0.383 nan 8.250 nan 0.000 0.446 414 F N -0.493 119.406 119.950 -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 0.365 39.207 39.000 -0.263 0.000 1.079 414 F HN -0.033 nan 8.300 nan 0.000 0.594 415 G N -0.221 108.526 108.800 -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 -0.086 0.000 1.022 415 G HN 0.242 nan 8.290 nan 0.000 0.501 416 N N -0.599 118.198 118.700 0.162 0.000 2.234 416 N HA 0.283 5.022 4.740 -0.001 0.000 0.227 416 N C 0.278 175.867 175.510 0.131 0.000 1.151 416 N CA 0.464 53.585 53.050 0.119 0.000 0.865 416 N CB 0.405 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 0.516 109.409 108.800 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 -1.267 173.674 174.900 0.069 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 1.910 116.392 114.554 -0.120 0.000 2.812 418 T HA 0.652 5.002 4.350 -0.001 0.000 0.282 418 T C -1.086 173.376 174.700 -0.396 0.000 0.990 418 T CA -0.272 61.762 62.100 -0.109 0.000 0.960 418 T CB 1.097 69.984 68.868 0.032 0.000 0.948 418 T HN 0.411 nan 8.240 nan 0.000 0.438 419 Y N 2.341 122.566 120.300 -0.125 0.000 2.331 419 Y HA 0.639 5.189 4.550 -0.001 0.000 0.334 419 Y C -0.379 175.580 175.900 0.099 0.000 0.960 419 Y CA -1.184 56.790 58.100 -0.210 0.000 1.130 419 Y CB 1.382 39.232 38.460 -1.018 0.000 1.164 419 Y HN 0.419 nan 8.280 nan 0.000 0.458 420 L N 6.049 127.655 121.223 0.638 0.000 2.322 420 L HA 0.595 4.935 4.340 -0.001 0.000 0.281 420 L C -1.176 176.154 176.870 0.766 0.000 1.014 420 L CA -1.068 54.073 54.840 0.502 0.000 0.815 420 L CB 0.616 42.853 42.059 0.298 0.000 1.247 420 L HN 0.540 nan 8.230 nan 0.000 0.421 421 Y N 3.181 123.794 120.300 0.522 0.000 2.602 421 Y HA 0.727 5.277 4.550 -0.001 0.000 0.342 421 Y C -1.723 174.450 175.900 0.454 0.000 1.029 421 Y CA -1.993 56.348 58.100 0.401 0.000 1.080 421 Y CB 1.321 39.949 38.460 0.279 0.000 1.284 421 Y HN 0.524 nan 8.280 nan 0.000 0.485 422 F N 4.135 124.420 119.950 0.559 0.000 2.500 422 F HA 0.462 4.988 4.527 -0.001 0.000 0.349 422 F C -1.837 174.270 175.800 0.510 0.000 1.127 422 F CA -1.701 56.560 58.000 0.435 0.000 0.998 422 F CB 0.678 39.919 39.000 0.402 0.000 1.237 422 F HN 0.575 nan 8.300 nan 0.000 0.439 423 F N 7.967 127.976 119.950 0.097 0.000 2.421 423 F HA 0.302 4.829 4.527 -0.001 0.000 0.358 423 F C 0.197 175.854 175.800 -0.238 0.000 1.115 423 F CA -0.210 57.804 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 3.379 121.710 118.700 -0.614 0.000 2.466 424 N HA 0.070 4.810 4.740 -0.001 0.000 0.272 424 N C -1.299 173.972 175.510 -0.398 0.000 1.455 424 N CA -0.498 52.312 53.050 -0.400 0.000 0.875 424 N CB -0.749 37.697 38.487 -0.068 0.000 1.372 424 N HN 0.636 nan 8.380 nan 0.000 0.492 425 H N 0.689 119.214 119.070 -0.908 0.000 2.519 425 H HA 0.522 5.077 4.556 -0.001 0.000 0.316 425 H C -0.344 174.817 175.328 -0.278 0.000 1.065 425 H CA -0.597 55.097 56.048 -0.589 0.000 1.264 425 H CB 1.005 30.320 29.762 -0.746 0.000 1.413 425 H HN 0.153 nan 8.280 nan 0.000 0.465 426 R N 4.175 124.256 120.500 -0.699 0.000 2.216 426 R HA 0.515 4.855 4.340 -0.001 0.000 0.332 426 R C -0.820 175.175 176.300 -0.507 0.000 1.056 426 R CA -0.301 55.562 56.100 -0.396 0.000 0.901 426 R CB 0.252 30.416 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 0.137 4.456 4.320 -0.001 0.000 0.246 427 A C 1.227 178.881 177.584 0.116 0.000 1.078 427 A CA 0.312 52.513 52.037 0.272 0.000 0.770 427 A CB 0.208 19.538 19.000 0.549 0.000 1.011 427 A HN 1.074 nan 8.150 nan 0.000 0.494 428 S N 1.627 117.436 115.700 0.183 0.000 2.419 428 S HA -0.185 4.285 4.470 -0.001 0.000 0.233 428 S C 0.918 175.507 174.600 -0.018 0.000 1.016 428 S CA 1.357 59.601 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 0.941 nan 8.310 nan 0.000 0.492 429 N N 0.692 119.344 118.700 -0.080 0.000 2.238 429 N HA 0.203 4.943 4.740 -0.001 0.000 0.222 429 N C 0.004 175.428 175.510 -0.143 0.000 1.133 429 N CA -0.423 52.525 53.050 -0.171 0.000 0.854 429 N CB -0.376 37.897 38.487 -0.356 0.000 1.041 429 N HN 0.333 nan 8.380 nan 0.000 0.510 430 L N 1.911 123.091 121.223 -0.071 0.000 2.490 430 L HA 0.012 4.352 4.340 -0.001 0.000 0.274 430 L C 1.412 178.213 176.870 -0.115 0.000 1.201 430 L CA 0.285 55.085 54.840 -0.067 0.000 0.869 430 L CB 1.186 43.218 42.059 -0.046 0.000 1.123 430 L HN 0.166 nan 8.230 nan 0.000 0.484 431 V N 1.255 121.053 119.914 -0.193 0.000 3.354 431 V HA 0.045 4.164 4.120 -0.001 0.000 0.258 431 V C 0.680 176.684 176.094 -0.150 0.000 1.159 431 V CA -0.457 61.698 62.300 -0.240 0.000 1.125 431 V CB -0.735 30.806 31.823 -0.469 0.000 0.774 431 V HN 0.652 nan 8.190 nan 0.000 0.464 432 W N 1.943 123.186 121.300 -0.095 0.000 2.161 432 W HA 0.492 5.152 4.660 -0.001 0.000 0.344 432 W C -1.761 174.613 176.519 -0.241 0.000 1.262 432 W CA -2.058 55.186 57.345 -0.169 0.000 1.270 432 W CB -0.171 29.056 29.460 -0.388 0.000 1.126 432 W HN 0.004 nan 8.180 nan 0.000 0.598 433 P HA -0.062 nan 4.420 nan 0.000 0.269 433 P C 0.256 177.440 177.300 -0.192 0.000 1.215 433 P CA 0.220 63.256 63.100 -0.107 0.000 0.780 433 P CB 1.127 32.768 31.700 -0.098 0.000 0.898 434 E N 2.390 122.559 120.200 -0.053 0.000 2.130 434 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 434 E C 1.731 178.342 176.600 0.018 0.000 0.998 434 E CA 1.713 58.103 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 -0.420 120.905 121.300 0.041 0.000 2.364 435 W HA -0.167 4.492 4.660 -0.001 0.000 0.281 435 W C 1.355 177.912 176.519 0.064 0.000 1.219 435 W CA 0.655 58.035 57.345 0.058 0.000 1.220 435 W CB -0.824 28.680 29.460 0.073 0.000 1.127 435 W HN 0.078 nan 8.180 nan 0.000 0.556 436 M N 1.273 120.515 119.600 -0.596 0.000 2.476 436 M HA 0.109 4.589 4.480 -0.001 0.000 0.262 436 M C 1.793 177.942 176.300 -0.251 0.000 1.079 436 M CA 1.706 56.608 55.300 -0.664 0.000 1.104 436 M CB -0.669 31.310 32.600 -1.035 0.000 1.409 436 M HN 0.205 nan 8.290 nan 0.000 0.467 437 G N 0.375 109.089 108.800 -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 -0.210 174.647 174.900 -0.072 0.000 1.177 437 G CA -0.229 44.840 45.100 -0.053 0.000 0.978 437 G HN 0.205 nan 8.290 nan 0.000 0.554 438 V N 1.854 121.765 119.914 -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 0.117 0.000 1.061 438 V CA -0.151 62.186 62.300 0.061 0.000 0.872 438 V CB 0.410 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 2.982 123.601 120.570 0.082 0.000 2.581 439 I HA 0.207 4.376 4.170 -0.001 0.000 0.288 439 I C 0.878 177.208 176.117 0.355 0.000 1.047 439 I CA -0.707 60.633 61.300 0.066 0.000 1.374 439 I CB 0.377 38.170 38.000 -0.346 0.000 1.423 439 I HN 0.566 nan 8.210 nan 0.000 0.549 440 H N 4.527 123.746 119.070 0.247 0.000 3.237 440 H HA 0.043 4.598 4.556 -0.001 0.000 0.263 440 H C 0.973 176.492 175.328 0.317 0.000 0.854 440 H CA 1.238 57.466 56.048 0.301 0.000 1.416 440 H CB -0.171 29.803 29.762 0.354 0.000 1.432 440 H HN 0.772 nan 8.280 nan 0.000 0.529 441 G N 3.515 112.305 108.800 -0.017 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 0.650 175.579 174.900 0.048 0.000 0.992 441 G CA 0.264 45.320 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 0.209 4.758 4.550 -0.001 0.000 0.272 442 Y C 2.395 178.412 175.900 0.196 0.000 1.169 442 Y CA 1.015 59.300 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 0.466 nan 8.280 nan 0.000 0.523 443 E N 0.534 120.682 120.200 -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 56.846 56.400 -0.636 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 0.097 0.000 1.100 444 I CA 1.958 63.343 61.300 0.141 0.000 1.374 444 I CB -0.446 37.703 38.000 0.248 0.000 1.057 444 I HN 0.221 nan 8.210 nan 0.000 0.413 445 E N 0.978 121.188 120.200 0.017 0.000 2.153 445 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 445 E C 2.030 178.465 176.600 -0.274 0.000 0.988 445 E CA 1.407 57.732 56.400 -0.125 0.000 0.811 445 E CB -0.504 29.120 29.700 -0.128 0.000 0.746 445 E HN 0.424 nan 8.360 nan 0.000 0.466 446 F N 1.325 121.179 119.950 -0.159 0.000 2.187 446 F HA -0.061 4.466 4.527 -0.001 0.000 0.295 446 F C 2.436 178.064 175.800 -0.287 0.000 1.091 446 F CA 0.675 58.541 58.000 -0.223 0.000 1.308 446 F CB -0.279 38.630 39.000 -0.152 0.000 1.030 446 F HN -0.143 nan 8.300 nan 0.000 0.487 447 V N -0.963 118.855 119.914 -0.160 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 -0.393 0.000 1.049 447 V CB -0.671 30.936 31.823 -0.361 0.000 0.662 447 V HN 0.216 nan 8.190 nan 0.000 0.455 448 F N 0.334 120.154 119.950 -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 -0.191 38.693 39.000 -0.194 0.000 1.081 448 F HN 0.257 nan 8.300 nan 0.000 0.565 449 G N 0.504 109.230 108.800 -0.123 0.000 2.160 449 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.251 449 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.251 449 G C 1.194 175.791 174.900 -0.504 0.000 1.008 449 G CA 0.430 45.385 45.100 -0.243 0.000 0.724 449 G HN 0.421 nan 8.290 nan 0.000 0.514 450 L N -0.456 120.450 121.223 -0.528 0.000 2.131 450 L HA -0.056 4.283 4.340 -0.001 0.000 0.210 450 L C 0.025 176.499 176.870 -0.660 0.000 1.092 450 L CA 1.836 56.312 54.840 -0.605 0.000 0.759 450 L CB -1.016 40.823 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 1.280 178.341 177.300 -0.398 0.000 1.184 451 P CA 0.792 63.319 63.100 -0.954 0.000 0.760 451 P CB 0.118 31.140 31.700 -1.131 0.000 0.884 452 L N -2.078 118.916 121.223 -0.382 0.000 2.509 452 L HA 0.011 4.351 4.340 -0.001 0.000 0.222 452 L C 0.686 177.432 176.870 -0.207 0.000 1.123 452 L CA 0.682 55.378 54.840 -0.240 0.000 0.856 452 L CB -0.525 41.413 42.059 -0.202 0.000 0.985 452 L HN -0.242 nan 8.230 nan 0.000 0.456 453 V N 0.253 120.002 119.914 -0.275 0.000 2.389 453 V HA 0.044 4.164 4.120 -0.001 0.000 0.264 453 V C 1.596 177.645 176.094 -0.074 0.000 1.049 453 V CA -0.353 61.838 62.300 -0.182 0.000 0.932 453 V CB 0.855 32.534 31.823 -0.241 0.000 1.011 453 V HN 0.288 nan 8.190 nan 0.000 0.475 454 K N 3.778 124.148 120.400 -0.050 0.000 2.034 454 K HA -0.253 4.067 4.320 -0.001 0.000 0.214 454 K C 1.605 178.188 176.600 -0.027 0.000 1.051 454 K CA 2.322 58.593 56.287 -0.028 0.000 0.931 454 K CB 0.125 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 0.501 120.680 120.200 -0.036 0.000 2.401 455 E HA -0.121 4.229 4.350 -0.001 0.000 0.199 455 E C 1.458 178.021 176.600 -0.061 0.000 1.023 455 E CA 0.703 57.076 56.400 -0.044 0.000 0.859 455 E CB 0.017 29.691 29.700 -0.042 0.000 0.780 455 E HN 0.385 nan 8.360 nan 0.000 0.523 456 L N 0.200 121.393 121.223 -0.050 0.000 2.558 456 L HA 0.096 4.435 4.340 -0.001 0.000 0.225 456 L C -0.040 176.717 176.870 -0.187 0.000 1.128 456 L CA -0.134 54.654 54.840 -0.087 0.000 0.868 456 L CB -0.166 41.900 42.059 0.011 0.000 1.006 456 L HN 0.105 nan 8.230 nan 0.000 0.454 457 N N -1.172 117.467 118.700 -0.102 0.000 2.780 457 N HA -0.216 4.524 4.740 -0.001 0.000 0.248 457 N C -0.557 174.859 175.510 -0.157 0.000 1.102 457 N CA 0.791 53.768 53.050 -0.123 0.000 0.697 457 N CB -1.767 36.627 38.487 -0.155 0.000 1.028 457 N HN 0.299 nan 8.380 nan 0.000 0.554 458 Y N 0.656 120.919 120.300 -0.063 0.000 2.298 458 Y HA 0.283 4.832 4.550 -0.001 0.000 0.329 458 Y C 1.933 177.828 175.900 -0.008 0.000 1.293 458 Y CA 0.076 58.156 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 0.094 nan 8.280 nan 0.000 0.544 459 T N -1.795 112.886 114.554 0.211 0.000 2.788 459 T HA 0.395 4.745 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 0.758 123.611 122.820 0.055 0.000 1.908 460 A HA -0.091 4.229 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 1.874 53.929 52.037 0.029 0.000 0.627 460 A CB -1.122 17.889 19.000 0.019 0.000 0.818 460 A HN 0.917 nan 8.150 nan 0.000 0.445 461 E N 0.022 120.242 120.200 0.033 0.000 2.150 461 E HA -0.120 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 1.365 57.771 56.400 0.010 0.000 0.814 461 E CB -0.213 29.494 29.700 0.010 0.000 0.752 461 E HN 0.778 nan 8.360 nan 0.000 0.466 462 E N 0.325 120.565 120.200 0.067 0.000 2.107 462 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 462 E C 2.021 178.667 176.600 0.075 0.000 0.982 462 E CA 0.936 57.433 56.400 0.161 0.000 0.809 462 E CB -0.003 29.905 29.700 0.347 0.000 0.756 462 E HN 0.334 nan 8.360 nan 0.000 0.459 463 E N 1.052 121.243 120.200 -0.015 0.000 2.058 463 E HA -0.247 4.102 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 1.297 57.648 56.400 -0.081 0.000 0.801 463 E CB -0.104 29.558 29.700 -0.064 0.000 0.746 463 E HN 0.210 nan 8.360 nan 0.000 0.450 464 A N 1.006 123.810 122.820 -0.027 0.000 1.902 464 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 464 A C 2.193 179.757 177.584 -0.034 0.000 1.181 464 A CA 1.457 53.473 52.037 -0.035 0.000 0.623 464 A CB -0.789 18.192 19.000 -0.031 0.000 0.818 464 A HN 0.421 nan 8.150 nan 0.000 0.443 465 L N -0.094 121.121 121.223 -0.013 0.000 2.042 465 L HA -0.125 4.214 4.340 -0.001 0.000 0.210 465 L C 2.586 179.494 176.870 0.063 0.000 1.076 465 L CA 2.651 57.486 54.840 -0.009 0.000 0.749 465 L CB -0.933 41.071 42.059 -0.092 0.000 0.893 465 L HN 0.355 nan 8.230 nan 0.000 0.432 466 S N -0.772 115.015 115.700 0.145 0.000 2.356 466 S HA -0.213 4.257 4.470 -0.001 0.000 0.223 466 S C 2.178 176.749 174.600 -0.048 0.000 1.032 466 S CA 1.405 59.646 58.200 0.069 0.000 1.005 466 S CB -0.221 62.908 63.200 -0.118 0.000 0.867 466 S HN 0.540 nan 8.310 nan 0.000 0.449 467 R N 0.343 120.806 120.500 -0.062 0.000 2.081 467 R HA -0.039 4.301 4.340 -0.001 0.000 0.235 467 R C 2.733 178.987 176.300 -0.078 0.000 1.131 467 R CA 1.533 57.590 56.100 -0.070 0.000 0.960 467 R CB -0.345 29.908 30.300 -0.078 0.000 0.856 467 R HN 0.394 nan 8.270 nan 0.000 0.436 468 R N 0.907 121.341 120.500 -0.109 0.000 2.081 468 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 468 R C 2.159 178.313 176.300 -0.244 0.000 1.131 468 R CA 1.466 57.432 56.100 -0.223 0.000 0.960 468 R CB -0.183 30.001 30.300 -0.194 0.000 0.856 468 R HN 0.180 nan 8.270 nan 0.000 0.436 469 I N 0.287 120.805 120.570 -0.086 0.000 2.163 469 I HA -0.297 3.872 4.170 -0.001 0.000 0.240 469 I C 2.498 178.582 176.117 -0.055 0.000 1.081 469 I CA 1.282 62.550 61.300 -0.054 0.000 1.353 469 I CB -0.176 37.651 38.000 -0.288 0.000 1.054 469 I HN 0.261 nan 8.210 nan 0.000 0.407 470 M N -0.473 119.060 119.600 -0.112 0.000 2.144 470 M HA -0.295 4.184 4.480 -0.001 0.000 0.260 470 M C 2.426 178.788 176.300 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 31.783 32.600 -0.066 0.000 1.365 470 M HN 0.306 nan 8.290 nan 0.000 0.406 471 H N -0.513 118.554 119.070 -0.005 0.000 2.363 471 H HA -0.125 4.430 4.556 -0.001 0.000 0.301 471 H C 1.565 176.990 175.328 0.162 0.000 1.074 471 H CA 1.821 57.879 56.048 0.016 0.000 1.354 471 H CB -0.022 29.692 29.762 -0.081 0.000 1.397 471 H HN 0.263 nan 8.280 nan 0.000 0.516 472 Y N -0.666 119.790 120.300 0.260 0.000 2.097 472 Y HA -0.282 4.268 4.550 -0.001 0.000 0.282 472 Y C 2.590 178.670 175.900 0.299 0.000 1.152 472 Y CA 1.257 59.549 58.100 0.320 0.000 1.136 472 Y CB -1.088 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 -0.516 120.886 121.300 0.169 0.000 2.354 473 W HA -0.230 4.430 4.660 -0.001 0.000 0.315 473 W C 2.610 179.123 176.519 -0.010 0.000 1.206 473 W CA 1.230 58.604 57.345 0.048 0.000 1.290 473 W CB -0.557 28.877 29.460 -0.042 0.000 1.152 473 W HN 0.066 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 -0.154 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 2.192 54.236 52.037 0.012 0.000 0.627 474 A CB -1.142 17.856 19.000 -0.004 0.000 0.815 474 A HN 0.212 nan 8.150 nan 0.000 0.443 475 T N -0.813 113.668 114.554 -0.122 0.000 2.777 475 T HA -0.099 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 1.432 63.427 62.100 -0.176 0.000 1.141 475 T CB -0.392 68.296 68.868 -0.300 0.000 0.868 475 T HN 0.486 nan 8.240 nan 0.000 0.444 476 F N 2.445 122.280 119.950 -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 1.149 59.005 58.000 -0.239 0.000 1.232 476 F CB -0.664 38.127 39.000 -0.348 0.000 0.987 476 F HN 0.144 nan 8.300 nan 0.000 0.475 477 A N 0.128 122.871 122.820 -0.128 0.000 1.940 477 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 477 A C 2.221 179.674 177.584 -0.217 0.000 1.176 477 A CA 2.023 53.949 52.037 -0.186 0.000 0.631 477 A CB -0.692 18.265 19.000 -0.073 0.000 0.814 477 A HN 0.503 nan 8.150 nan 0.000 0.446 478 K N -1.220 119.078 120.400 -0.169 0.000 2.062 478 K HA -0.074 4.246 4.320 -0.001 0.000 0.205 478 K C 1.843 178.346 176.600 -0.161 0.000 1.051 478 K CA 1.777 57.985 56.287 -0.132 0.000 0.941 478 K CB -0.078 32.364 32.500 -0.096 0.000 0.719 478 K HN 0.713 nan 8.250 nan 0.000 0.440 479 T N -5.379 109.043 114.554 -0.220 0.000 2.986 479 T HA 0.251 4.600 4.350 -0.001 0.000 0.264 479 T C 1.234 175.790 174.700 -0.239 0.000 0.964 479 T CA 0.310 62.299 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 -0.178 174.607 174.900 -0.193 0.000 0.979 480 G CA 0.066 44.852 45.100 -0.524 0.000 0.650 480 G HN 0.852 nan 8.290 nan 0.000 0.529 481 N N -0.329 118.256 118.700 -0.193 0.000 2.478 481 N HA 0.428 5.168 4.740 -0.001 0.000 0.291 481 N C -1.821 173.532 175.510 -0.262 0.000 1.090 481 N CA -1.462 51.457 53.050 -0.218 0.000 0.911 481 N CB 2.424 40.870 38.487 -0.068 0.000 1.546 481 N HN -0.067 nan 8.380 nan 0.000 0.500 482 P HA -0.013 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 0.503 63.483 63.100 -0.200 0.000 0.770 482 P CB 0.310 31.704 31.700 -0.509 0.000 0.837 483 N N 1.847 120.534 118.700 -0.021 0.000 2.472 483 N HA 0.075 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 -0.032 53.088 53.050 0.116 0.000 0.973 483 N CB 0.897 39.453 38.487 0.116 0.000 1.105 483 N HN 0.076 nan 8.380 nan 0.000 0.470 484 E N 2.508 122.761 120.200 0.087 0.000 2.417 484 E HA 0.103 4.452 4.350 -0.001 0.000 0.261 484 E C -2.001 174.567 176.600 -0.053 0.000 1.000 484 E CA -1.162 55.251 56.400 0.022 0.000 0.919 484 E CB 0.309 30.063 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 -0.172 176.843 177.300 -0.475 0.000 1.205 485 P CA 0.326 63.290 63.100 -0.226 0.000 0.771 485 P CB 0.119 31.674 31.700 -0.241 0.000 0.858 486 H N -0.290 118.817 119.070 0.062 0.000 2.655 486 H HA -0.164 4.391 4.556 -0.001 0.000 0.313 486 H C -0.751 174.612 175.328 0.058 0.000 1.141 486 H CA 0.324 56.405 56.048 0.055 0.000 1.138 486 H CB -2.097 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 -0.605 115.152 115.700 0.095 0.000 2.690 487 S HA 0.375 4.844 4.470 -0.001 0.000 0.291 487 S C 1.020 175.682 174.600 0.104 0.000 1.138 487 S CA -0.199 58.063 58.200 0.103 0.000 1.013 487 S CB 2.455 65.704 63.200 0.081 0.000 1.053 487 S HN 0.421 nan 8.310 nan 0.000 0.539 488 Q N 0.334 120.187 119.800 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 0.078 0.000 0.933 488 Q CA 0.494 56.343 55.803 0.077 0.000 0.901 488 Q CB -0.020 28.754 28.738 0.060 0.000 1.007 488 Q HN 0.627 nan 8.270 nan 0.000 0.495 489 E N 1.413 121.665 120.200 0.086 0.000 2.438 489 E HA 0.012 4.361 4.350 -0.001 0.000 0.261 489 E C -0.139 176.534 176.600 0.123 0.000 1.103 489 E CA 0.115 56.573 56.400 0.097 0.000 0.959 489 E CB 0.415 30.177 29.700 0.103 0.000 0.958 489 E HN 0.218 nan 8.360 nan 0.000 0.447 490 S N 1.632 117.406 115.700 0.125 0.000 2.549 490 S HA 0.144 4.614 4.470 -0.001 0.000 0.283 490 S C 0.202 174.917 174.600 0.192 0.000 1.320 490 S CA -0.472 57.806 58.200 0.130 0.000 1.058 490 S CB 0.673 63.933 63.200 0.100 0.000 0.882 490 S HN 0.213 nan 8.310 nan 0.000 0.498 491 K N 1.533 122.042 120.400 0.182 0.000 2.205 491 K HA 0.133 4.453 4.320 -0.001 0.000 0.279 491 K C -0.536 176.241 176.600 0.296 0.000 1.027 491 K CA -0.481 55.949 56.287 0.238 0.000 0.932 491 K CB 0.619 33.237 32.500 0.196 0.000 1.032 491 K HN 0.721 nan 8.250 nan 0.000 0.466 492 W N 7.187 128.554 121.300 0.112 0.000 2.481 492 W HA 0.158 4.817 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 -2.684 54.717 57.345 0.094 0.000 1.400 492 W CB -0.083 29.322 29.460 -0.092 0.000 1.361 492 W HN 0.422 nan 8.180 nan 0.000 0.456 493 P HA 0.018 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 -0.573 62.754 63.100 0.378 0.000 0.790 493 P CB 1.336 33.174 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 0.115 4.455 4.340 -0.001 0.000 0.274 494 L C 0.150 177.013 176.870 -0.011 0.000 1.201 494 L CA -0.215 54.492 54.840 -0.221 0.000 0.869 494 L CB -1.190 40.754 42.059 -0.192 0.000 1.123 494 L HN 0.256 nan 8.230 nan 0.000 0.484 495 F N 4.323 124.189 119.950 -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 -0.003 0.000 1.188 495 F CB 0.454 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 1.263 115.517 114.554 -0.499 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 -0.538 0.000 1.034 496 T CA -0.401 61.502 62.100 -0.329 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 0.786 115.215 114.554 -0.209 0.000 2.737 497 T HA -0.131 4.219 4.350 -0.001 0.000 0.269 497 T C 1.713 176.317 174.700 -0.160 0.000 1.040 497 T CA 1.729 63.752 62.100 -0.128 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 0.585 120.892 120.400 -0.156 0.000 2.044 498 K HA -0.012 4.307 4.320 -0.001 0.000 0.204 498 K C 2.035 178.560 176.600 -0.126 0.000 1.049 498 K CA 1.096 57.316 56.287 -0.111 0.000 0.945 498 K CB 0.149 32.600 32.500 -0.082 0.000 0.724 498 K HN 0.347 nan 8.250 nan 0.000 0.440 499 E N -0.083 120.009 120.200 -0.180 0.000 2.447 499 E HA 0.000 4.350 4.350 -0.001 0.000 0.204 499 E C -0.405 176.082 176.600 -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 1.275 120.803 119.800 -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 -0.036 0.000 1.286 500 Q CA 0.712 56.148 55.803 -0.612 0.000 0.872 500 Q CB -1.380 27.245 28.738 -0.189 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 -0.006 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 0.526 0.000 1.015 501 K CA -0.024 56.390 56.287 0.211 0.000 0.949 501 K CB 0.520 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 -0.167 119.953 119.950 0.284 0.000 2.685 502 F HA 0.591 5.118 4.527 -0.001 0.000 0.315 502 F C -0.946 174.972 175.800 0.198 0.000 1.126 502 F CA -1.626 56.570 58.000 0.326 0.000 0.950 502 F CB 0.615 39.819 39.000 0.340 0.000 1.360 502 F HN 0.414 nan 8.300 nan 0.000 0.469 503 I N -0.611 120.047 120.570 0.147 0.000 2.750 503 I HA 0.634 4.803 4.170 -0.001 0.000 0.308 503 I C -0.864 175.382 176.117 0.215 0.000 1.016 503 I CA -0.786 60.467 61.300 -0.078 0.000 1.098 503 I CB 1.727 39.458 38.000 -0.448 0.000 1.279 503 I HN 0.442 nan 8.210 nan 0.000 0.454 504 D N 3.788 124.325 120.400 0.228 0.000 2.354 504 D HA 0.518 5.157 4.640 -0.001 0.000 0.247 504 D C -0.640 175.749 176.300 0.148 0.000 1.138 504 D CA 0.152 54.348 54.000 0.327 0.000 0.958 504 D CB 1.877 42.872 40.800 0.325 0.000 1.144 504 D HN 0.447 nan 8.370 nan 0.000 0.458 505 L N 2.267 123.570 121.223 0.135 0.000 2.427 505 L HA 0.308 4.648 4.340 -0.001 0.000 0.264 505 L C -0.564 176.204 176.870 -0.169 0.000 0.989 505 L CA -0.609 54.252 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 -1.192 117.429 118.700 -0.133 0.000 3.243 506 N HA 0.236 4.975 4.740 -0.001 0.000 0.280 506 N C 0.448 175.860 175.510 -0.162 0.000 1.545 506 N CA -0.326 52.603 53.050 -0.201 0.000 0.854 506 N CB 0.680 39.115 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 0.648 62.666 62.100 -0.136 0.000 1.090 507 T CB -0.501 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 -2.690 53.717 56.400 0.012 0.000 0.900 508 E CB 0.434 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 -0.425 176.887 177.300 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 3.791 123.408 119.600 0.028 0.000 2.261 510 M HA -0.031 4.448 4.480 -0.001 0.000 0.350 510 M C -0.310 175.971 176.300 -0.031 0.000 1.343 510 M CA 1.129 56.439 55.300 0.017 0.000 1.003 510 M CB 0.013 32.641 32.600 0.045 0.000 1.848 510 M HN 0.268 nan 8.290 nan 0.000 0.456 511 K N 3.693 124.044 120.400 -0.080 0.000 2.259 511 K HA 0.597 4.916 4.320 -0.001 0.000 0.249 511 K C -1.343 175.003 176.600 -0.422 0.000 0.942 511 K CA -0.957 55.184 56.287 -0.243 0.000 0.816 511 K CB 2.470 34.789 32.500 -0.300 0.000 1.155 511 K HN 0.516 nan 8.250 nan 0.000 0.428 512 V N 3.591 123.229 119.914 -0.460 0.000 2.481 512 V HA 0.270 4.389 4.120 -0.001 0.000 0.286 512 V C -0.096 175.553 176.094 -0.741 0.000 1.042 512 V CA -0.475 61.556 62.300 -0.449 0.000 0.928 512 V CB 0.965 32.670 31.823 -0.198 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 -1.059 173.970 175.328 -0.498 0.000 1.208 513 H CA -0.833 54.826 56.048 -0.648 0.000 1.191 513 H CB 2.309 31.442 29.762 -1.049 0.000 1.889 513 H HN 0.569 nan 8.280 nan 0.000 0.574 514 Q N 0.242 120.055 119.800 0.021 0.000 2.423 514 Q HA 0.387 4.727 4.340 -0.001 0.000 0.278 514 Q C -0.622 175.630 176.000 0.420 0.000 1.097 514 Q CA -0.943 55.000 55.803 0.233 0.000 0.809 514 Q CB 2.890 31.688 28.738 0.099 0.000 1.391 514 Q HN 0.476 nan 8.270 nan 0.000 0.428 515 R N 0.883 121.626 120.500 0.406 0.000 3.144 515 R HA -0.194 4.146 4.340 -0.001 0.000 0.255 515 R C -0.738 175.706 176.300 0.240 0.000 0.949 515 R CA -0.154 56.111 56.100 0.275 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 2.238 123.538 121.223 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 0.845 55.569 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 0.412 nan 8.230 nan 0.000 0.490 517 R N 2.305 122.806 120.500 0.000 0.000 3.502 517 R HA -0.221 4.119 4.340 -0.001 0.000 0.266 517 R C 1.190 177.561 176.300 0.118 0.000 1.077 517 R CA 0.694 56.836 56.100 0.070 0.000 0.718 517 R CB -2.095 28.265 30.300 0.100 0.000 1.120 517 R HN 0.677 nan 8.270 nan 0.000 0.457 518 V N 0.415 120.394 119.914 0.108 0.000 2.343 518 V HA -0.331 3.788 4.120 -0.001 0.000 0.247 518 V C 2.375 178.544 176.094 0.126 0.000 1.051 518 V CA 2.623 64.998 62.300 0.125 0.000 1.036 518 V CB -0.052 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 2.131 178.195 176.000 0.107 0.000 0.988 519 Q CA 2.498 58.343 55.803 0.069 0.000 0.843 519 Q CB -0.370 28.378 28.738 0.016 0.000 0.908 519 Q HN 0.523 nan 8.270 nan 0.000 0.420 520 M N -0.868 118.816 119.600 0.139 0.000 2.213 520 M HA -0.138 4.342 4.480 -0.001 0.000 0.263 520 M C 2.309 178.888 176.300 0.464 0.000 1.062 520 M CA 0.924 56.380 55.300 0.260 0.000 1.105 520 M CB -1.209 31.605 32.600 0.356 0.000 1.385 520 M HN 0.352 nan 8.290 nan 0.000 0.417 521 c N -0.584 118.237 118.600 0.369 0.000 2.448 521 c HA -0.010 4.559 4.570 -0.001 0.000 0.280 521 c C 2.909 177.181 174.090 0.304 0.000 1.398 521 c CA 0.131 56.687 56.329 0.378 0.000 1.774 521 c CB -0.906 41.766 42.510 0.270 0.000 1.888 521 c HN 0.319 nan 8.230 nan 0.000 0.519 522 V N 0.658 120.714 119.914 0.237 0.000 2.427 522 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 522 V C 2.065 178.280 176.094 0.202 0.000 1.051 522 V CA 2.158 64.573 62.300 0.191 0.000 1.048 522 V CB -0.796 31.112 31.823 0.142 0.000 0.666 522 V HN 0.564 nan 8.190 nan 0.000 0.456 523 F N -0.048 119.939 119.950 0.062 0.000 2.075 523 F HA -0.197 4.329 4.527 -0.001 0.000 0.297 523 F C 1.996 177.787 175.800 -0.015 0.000 1.113 523 F CA 1.786 59.773 58.000 -0.023 0.000 1.218 523 F CB -0.379 38.482 39.000 -0.231 0.000 0.984 523 F HN 0.160 nan 8.300 nan 0.000 0.472 524 W N 0.430 121.842 121.300 0.186 0.000 2.436 524 W HA -0.078 4.581 4.660 -0.001 0.000 0.284 524 W C 2.056 178.558 176.519 -0.028 0.000 1.225 524 W CA 0.752 58.135 57.345 0.064 0.000 1.271 524 W CB -0.375 29.232 29.460 0.245 0.000 1.114 524 W HN -0.028 nan 8.180 nan 0.000 0.559 525 N N -0.750 118.074 118.700 0.207 0.000 2.415 525 N HA -0.011 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 0.906 53.995 53.050 0.065 0.000 0.895 525 N CB 0.067 38.622 38.487 0.114 0.000 1.036 525 N HN 0.216 nan 8.380 nan 0.000 0.449 526 Q N -1.083 118.745 119.800 0.046 0.000 2.644 526 Q HA 0.298 4.637 4.340 -0.001 0.000 0.220 526 Q C 1.320 177.325 176.000 0.009 0.000 0.866 526 Q CA -0.035 55.794 55.803 0.044 0.000 0.915 526 Q CB -0.175 28.623 28.738 0.100 0.000 1.191 526 Q HN 0.144 nan 8.270 nan 0.000 0.641 527 F N 0.771 120.633 119.950 -0.146 0.000 2.074 527 F HA -0.103 4.424 4.527 -0.001 0.000 0.293 527 F C 1.763 177.381 175.800 -0.303 0.000 1.116 527 F CA 0.972 58.856 58.000 -0.194 0.000 1.212 527 F CB -0.339 38.570 39.000 -0.152 0.000 0.998 527 F HN 0.144 nan 8.300 nan 0.000 0.471 528 L N 1.287 122.122 121.223 -0.648 0.000 2.012 528 L HA -0.084 4.256 4.340 -0.001 0.000 0.210 528 L C -0.850 175.765 176.870 -0.425 0.000 1.073 528 L CA 2.205 56.613 54.840 -0.720 0.000 0.748 528 L CB -1.975 39.559 42.059 -0.876 0.000 0.891 528 L HN 0.010 nan 8.230 nan 0.000 0.431 529 P HA -0.212 nan 4.420 nan 0.000 0.216 529 P C 1.491 178.677 177.300 -0.190 0.000 1.150 529 P CA 1.620 64.627 63.100 -0.155 0.000 0.837 529 P CB -0.059 31.581 31.700 -0.100 0.000 0.786 530 K N -0.182 120.072 120.400 -0.243 0.000 2.026 530 K HA -0.142 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 1.076 57.224 56.287 -0.231 0.000 0.929 530 K CB -0.842 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 1.172 122.078 121.223 -0.527 0.000 2.013 531 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 531 L C 2.124 178.835 176.870 -0.264 0.000 1.073 531 L CA 1.437 55.991 54.840 -0.477 0.000 0.753 531 L CB -0.209 41.433 42.059 -0.695 0.000 0.890 531 L HN 0.267 nan 8.230 nan 0.000 0.432 532 L N -0.276 120.806 121.223 -0.235 0.000 2.093 532 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 532 L C 2.407 179.219 176.870 -0.097 0.000 1.085 532 L CA 1.539 56.295 54.840 -0.140 0.000 0.755 532 L CB -0.834 41.165 42.059 -0.100 0.000 0.904 532 L HN 0.496 nan 8.230 nan 0.000 0.435 533 N N 0.260 118.899 118.700 -0.102 0.000 2.396 533 N HA -0.120 4.620 4.740 -0.001 0.000 0.180 533 N C 1.694 177.166 175.510 -0.065 0.000 1.028 533 N CA 1.060 54.068 53.050 -0.070 0.000 0.893 533 N CB 0.336 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 0.229 122.998 122.820 -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