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 2ace_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 EXXXXXSKWP 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 0.000 174.661 174.600 0.102 0.000 1.055 4 S CA 0.000 58.241 58.200 0.068 0.000 1.107 4 S CB 0.000 63.241 63.200 0.068 0.000 0.593 5 E N 1.954 122.220 120.200 0.110 0.000 2.333 5 E HA -0.036 4.313 4.350 -0.001 0.000 0.198 5 E C 1.042 177.803 176.600 0.269 0.000 1.007 5 E CA 1.262 57.758 56.400 0.160 0.000 0.845 5 E CB -0.078 29.701 29.700 0.131 0.000 0.766 5 E HN 0.681 nan 8.360 nan 0.000 0.507 6 L N 0.311 121.664 121.223 0.216 0.000 2.590 6 L HA 0.200 4.539 4.340 -0.001 0.000 0.227 6 L C 0.305 177.413 176.870 0.396 0.000 1.099 6 L CA -0.404 54.585 54.840 0.249 0.000 0.872 6 L CB 0.432 42.512 42.059 0.035 0.000 1.088 6 L HN 0.101 nan 8.230 nan 0.000 0.479 7 L N 1.016 122.397 121.223 0.263 0.000 2.275 7 L HA 0.541 4.880 4.340 -0.001 0.000 0.288 7 L C -0.586 176.365 176.870 0.135 0.000 1.046 7 L CA -0.109 54.858 54.840 0.211 0.000 0.805 7 L CB 1.497 43.626 42.059 0.116 0.000 1.193 7 L HN -0.312 nan 8.230 nan 0.000 0.426 8 V N 5.004 124.961 119.914 0.071 0.000 2.876 8 V HA 0.531 4.650 4.120 -0.001 0.000 0.312 8 V C -0.449 175.524 176.094 -0.202 0.000 1.085 8 V CA -0.932 61.246 62.300 -0.204 0.000 0.945 8 V CB 2.279 33.700 31.823 -0.671 0.000 1.017 8 V HN 0.761 nan 8.190 nan 0.000 0.428 9 N N 1.655 120.164 118.700 -0.317 0.000 2.405 9 N HA 0.715 5.455 4.740 -0.001 0.000 0.299 9 N C -0.601 174.547 175.510 -0.603 0.000 1.075 9 N CA -0.075 52.752 53.050 -0.372 0.000 0.884 9 N CB 2.369 40.616 38.487 -0.400 0.000 1.194 9 N HN 0.941 nan 8.380 nan 0.000 0.491 10 T N -1.945 112.320 114.554 -0.482 0.000 2.865 10 T HA 0.360 4.710 4.350 -0.001 0.000 0.294 10 T C 0.683 175.111 174.700 -0.453 0.000 1.119 10 T CA -0.769 61.053 62.100 -0.462 0.000 1.007 10 T CB 1.619 70.448 68.868 -0.066 0.000 1.225 10 T HN 0.302 nan 8.240 nan 0.000 0.515 11 K N 0.404 120.603 120.400 -0.335 0.000 2.515 11 K HA 0.046 4.366 4.320 -0.001 0.000 0.196 11 K C 1.637 178.071 176.600 -0.277 0.000 1.038 11 K CA 0.686 56.815 56.287 -0.263 0.000 0.967 11 K CB -0.103 32.310 32.500 -0.144 0.000 0.780 11 K HN 0.413 nan 8.250 nan 0.000 0.483 12 S N -0.327 115.170 115.700 -0.339 0.000 2.497 12 S HA 0.176 4.646 4.470 -0.001 0.000 0.221 12 S C 0.636 174.509 174.600 -1.212 0.000 1.037 12 S CA 0.321 58.177 58.200 -0.574 0.000 0.920 12 S CB 0.931 63.912 63.200 -0.364 0.000 0.800 12 S HN 0.546 nan 8.310 nan 0.000 0.505 13 G N 0.833 109.049 108.800 -0.974 0.000 2.337 13 G HA2 0.264 4.224 3.960 -0.001 0.000 0.298 13 G HA3 0.264 4.224 3.960 -0.001 0.000 0.298 13 G C -1.939 172.827 174.900 -0.223 0.000 1.335 13 G CA -1.099 43.455 45.100 -0.911 0.000 0.875 13 G HN 0.100 nan 8.290 nan 0.000 0.579 14 K N -1.014 119.436 120.400 0.083 0.000 2.107 14 K HA 0.693 5.013 4.320 -0.001 0.000 0.251 14 K C -0.645 176.272 176.600 0.529 0.000 1.012 14 K CA -0.616 55.796 56.287 0.209 0.000 0.920 14 K CB 1.947 34.539 32.500 0.153 0.000 1.033 14 K HN 0.313 nan 8.250 nan 0.000 0.478 15 V N 2.110 122.287 119.914 0.439 0.000 2.808 15 V HA 0.285 4.405 4.120 -0.001 0.000 0.308 15 V C -1.427 174.959 176.094 0.487 0.000 1.099 15 V CA -0.849 61.798 62.300 0.578 0.000 0.920 15 V CB 1.958 34.166 31.823 0.642 0.000 1.014 15 V HN 0.706 nan 8.190 nan 0.000 0.425 16 M N 4.717 124.573 119.600 0.426 0.000 2.043 16 M HA 0.734 5.213 4.480 -0.001 0.000 0.322 16 M C 0.233 176.647 176.300 0.191 0.000 0.962 16 M CA 0.084 55.554 55.300 0.283 0.000 0.927 16 M CB 0.919 33.611 32.600 0.154 0.000 1.466 16 M HN 0.708 nan 8.290 nan 0.000 0.412 17 G N 1.719 110.543 108.800 0.041 0.000 2.504 17 G HA2 0.604 4.564 3.960 -0.001 0.000 0.257 17 G HA3 0.604 4.564 3.960 -0.001 0.000 0.257 17 G C -0.862 173.843 174.900 -0.325 0.000 1.451 17 G CA -0.166 44.643 45.100 -0.486 0.000 1.059 17 G HN 0.680 nan 8.290 nan 0.000 0.550 18 T N -1.703 112.607 114.554 -0.406 0.000 2.853 18 T HA 0.546 4.895 4.350 -0.001 0.000 0.311 18 T C -1.065 173.500 174.700 -0.225 0.000 1.307 18 T CA -0.750 61.212 62.100 -0.230 0.000 1.019 18 T CB 1.398 70.158 68.868 -0.179 0.000 1.264 18 T HN 0.839 nan 8.240 nan 0.000 0.497 19 R N 1.830 122.255 120.500 -0.125 0.000 2.393 19 R HA 0.772 5.112 4.340 -0.001 0.000 0.310 19 R C -0.477 175.793 176.300 -0.050 0.000 0.968 19 R CA -0.787 55.268 56.100 -0.074 0.000 0.867 19 R CB 1.159 31.441 30.300 -0.031 0.000 1.124 19 R HN 0.446 nan 8.270 nan 0.000 0.450 20 V N -0.045 119.857 119.914 -0.020 0.000 2.630 20 V HA 0.672 4.792 4.120 -0.001 0.000 0.305 20 V C -2.401 173.676 176.094 -0.028 0.000 1.046 20 V CA -2.792 59.498 62.300 -0.017 0.000 0.934 20 V CB 1.366 33.205 31.823 0.027 0.000 1.003 20 V HN 0.813 nan 8.190 nan 0.000 0.451 21 P HA 0.489 nan 4.420 nan 0.000 0.284 21 P C -1.041 176.171 177.300 -0.147 0.000 1.253 21 P CA -0.294 62.760 63.100 -0.076 0.000 0.800 21 P CB 1.741 33.404 31.700 -0.061 0.000 0.961 22 V N 3.656 123.438 119.914 -0.220 0.000 2.808 22 V HA 0.183 4.303 4.120 -0.001 0.000 0.308 22 V C 0.641 176.465 176.094 -0.450 0.000 1.099 22 V CA -1.126 60.941 62.300 -0.388 0.000 0.920 22 V CB 1.576 33.069 31.823 -0.549 0.000 1.014 22 V HN 0.438 nan 8.190 nan 0.000 0.425 23 L N 3.929 124.966 121.223 -0.310 0.000 4.178 23 L HA -0.247 4.092 4.340 -0.001 0.000 0.482 23 L C 0.966 177.710 176.870 -0.209 0.000 1.093 23 L CA 0.941 55.645 54.840 -0.226 0.000 0.638 23 L CB -1.561 40.351 42.059 -0.246 0.000 1.413 23 L HN 1.364 nan 8.230 nan 0.000 0.754 24 S N -1.458 114.165 115.700 -0.129 0.000 3.711 24 S HA -0.154 4.315 4.470 -0.001 0.000 0.374 24 S C 0.024 174.586 174.600 -0.062 0.000 0.969 24 S CA 0.874 59.032 58.200 -0.070 0.000 1.198 24 S CB -1.204 61.978 63.200 -0.030 0.000 0.903 24 S HN 1.360 nan 8.310 nan 0.000 0.493 25 S N -0.784 114.858 115.700 -0.096 0.000 2.655 25 S HA 0.687 5.157 4.470 -0.001 0.000 0.273 25 S C -0.978 173.598 174.600 -0.039 0.000 1.177 25 S CA 0.131 58.319 58.200 -0.020 0.000 0.918 25 S CB 0.758 64.002 63.200 0.074 0.000 1.217 25 S HN 1.512 nan 8.310 nan 0.000 0.492 26 H N -0.573 118.530 119.070 0.054 0.000 2.960 26 H HA 0.867 5.423 4.556 -0.001 0.000 0.323 26 H C -0.549 174.858 175.328 0.133 0.000 1.326 26 H CA -0.357 55.718 56.048 0.045 0.000 1.124 26 H CB 1.059 30.841 29.762 0.033 0.000 1.853 26 H HN 0.992 nan 8.280 nan 0.000 0.536 27 I N -2.532 118.105 120.570 0.112 0.000 3.229 27 I HA 0.764 4.934 4.170 -0.001 0.000 0.313 27 I C -0.975 175.210 176.117 0.113 0.000 1.317 27 I CA -1.044 60.353 61.300 0.162 0.000 0.940 27 I CB 2.144 40.284 38.000 0.233 0.000 1.315 27 I HN 0.566 nan 8.210 nan 0.000 0.484 28 S N 1.058 116.840 115.700 0.137 0.000 2.646 28 S HA 0.889 5.358 4.470 -0.001 0.000 0.276 28 S C -0.294 174.277 174.600 -0.050 0.000 1.222 28 S CA -0.360 57.843 58.200 0.005 0.000 1.014 28 S CB 1.567 64.849 63.200 0.137 0.000 0.991 28 S HN 0.946 nan 8.310 nan 0.000 0.533 29 A N 1.451 124.042 122.820 -0.383 0.000 2.459 29 A HA 0.727 5.046 4.320 -0.001 0.000 0.296 29 A C -1.608 175.577 177.584 -0.665 0.000 1.039 29 A CA -0.635 51.130 52.037 -0.454 0.000 0.698 29 A CB 0.598 19.363 19.000 -0.391 0.000 1.261 29 A HN 0.603 nan 8.150 nan 0.000 0.405 30 F N 2.475 122.292 119.950 -0.221 0.000 2.382 30 F HA 0.563 5.089 4.527 -0.001 0.000 0.361 30 F C -0.252 175.427 175.800 -0.201 0.000 1.109 30 F CA -0.376 57.589 58.000 -0.057 0.000 1.031 30 F CB 1.508 40.594 39.000 0.144 0.000 1.234 30 F HN 0.372 nan 8.300 nan 0.000 0.445 31 L N 2.208 123.367 121.223 -0.107 0.000 2.329 31 L HA 0.763 5.102 4.340 -0.001 0.000 0.279 31 L C 0.796 177.684 176.870 0.030 0.000 1.014 31 L CA -0.956 53.802 54.840 -0.137 0.000 0.814 31 L CB 1.830 43.711 42.059 -0.298 0.000 1.257 31 L HN 0.802 nan 8.230 nan 0.000 0.424 32 G N 2.855 111.700 108.800 0.076 0.000 2.182 32 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.248 32 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.248 32 G C -0.163 174.848 174.900 0.185 0.000 1.042 32 G CA -0.405 44.772 45.100 0.128 0.000 0.775 32 G HN 0.457 nan 8.290 nan 0.000 0.501 33 I N 2.455 123.023 120.570 -0.003 0.000 2.471 33 I HA 0.286 4.455 4.170 -0.001 0.000 0.286 33 I C -1.268 174.574 176.117 -0.459 0.000 1.079 33 I CA -2.094 59.019 61.300 -0.312 0.000 1.398 33 I CB 1.108 38.934 38.000 -0.290 0.000 1.403 33 I HN -0.010 nan 8.210 nan 0.000 0.530 34 P HA 0.120 nan 4.420 nan 0.000 0.282 34 P C -0.393 176.508 177.300 -0.664 0.000 1.249 34 P CA -0.148 62.398 63.100 -0.923 0.000 0.806 34 P CB 0.890 31.936 31.700 -1.089 0.000 0.984 35 F N -0.313 119.319 119.950 -0.529 0.000 2.746 35 F HA 0.756 5.283 4.527 -0.001 0.000 0.320 35 F C -0.105 175.613 175.800 -0.137 0.000 1.097 35 F CA -1.141 56.650 58.000 -0.348 0.000 1.195 35 F CB -0.116 38.689 39.000 -0.324 0.000 1.056 35 F HN 0.385 nan 8.300 nan 0.000 0.562 36 A N -0.117 122.527 122.820 -0.293 0.000 2.609 36 A HA 0.628 4.948 4.320 -0.001 0.000 0.291 36 A C -0.949 176.513 177.584 -0.204 0.000 1.096 36 A CA -0.769 51.200 52.037 -0.113 0.000 0.684 36 A CB 1.027 19.997 19.000 -0.050 0.000 1.282 36 A HN 0.035 nan 8.150 nan 0.000 0.412 37 E N 0.942 121.093 120.200 -0.083 0.000 2.373 37 E HA 0.291 4.641 4.350 -0.001 0.000 0.267 37 E C -2.368 174.162 176.600 -0.116 0.000 1.032 37 E CA -1.507 54.848 56.400 -0.075 0.000 0.889 37 E CB 0.155 29.847 29.700 -0.014 0.000 0.984 37 E HN 0.223 nan 8.360 nan 0.000 0.425 38 P HA -0.004 nan 4.420 nan 0.000 0.262 38 P C -2.035 175.224 177.300 -0.067 0.000 1.199 38 P CA -0.659 62.382 63.100 -0.098 0.000 0.763 38 P CB 0.079 31.756 31.700 -0.038 0.000 0.790 39 P HA -0.036 nan 4.420 nan 0.000 0.269 39 P C 0.154 177.412 177.300 -0.069 0.000 1.601 39 P CA 0.213 63.279 63.100 -0.057 0.000 0.831 39 P CB -0.233 31.438 31.700 -0.049 0.000 1.688 40 V N -3.639 116.240 119.914 -0.059 0.000 3.403 40 V HA 0.738 4.858 4.120 -0.001 0.000 0.305 40 V C 1.321 177.385 176.094 -0.051 0.000 1.060 40 V CA 0.143 62.406 62.300 -0.062 0.000 1.053 40 V CB -0.207 31.589 31.823 -0.044 0.000 1.198 40 V HN 0.443 nan 8.190 nan 0.000 0.447 41 G N 0.383 109.157 108.800 -0.043 0.000 2.652 41 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.318 41 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.318 41 G C 0.952 175.836 174.900 -0.028 0.000 1.295 41 G CA 1.765 46.850 45.100 -0.024 0.000 0.999 41 G HN 2.062 nan 8.290 nan 0.000 0.548 42 N N -0.310 118.386 118.700 -0.008 0.000 2.585 42 N HA 0.171 4.911 4.740 -0.001 0.000 0.188 42 N C 2.263 177.774 175.510 0.001 0.000 1.102 42 N CA 2.103 55.155 53.050 0.004 0.000 0.920 42 N CB -0.356 38.135 38.487 0.006 0.000 0.963 42 N HN 0.636 nan 8.380 nan 0.000 0.447 43 M N -0.342 119.247 119.600 -0.019 0.000 2.556 43 M HA 0.068 4.547 4.480 -0.001 0.000 0.245 43 M C 1.099 177.372 176.300 -0.044 0.000 1.128 43 M CA -0.114 55.178 55.300 -0.014 0.000 1.069 43 M CB 0.117 32.709 32.600 -0.013 0.000 1.469 43 M HN 0.323 nan 8.290 nan 0.000 0.494 44 R N 0.716 121.137 120.500 -0.132 0.000 2.538 44 R HA -0.074 4.266 4.340 -0.001 0.000 0.282 44 R C -0.366 175.753 176.300 -0.301 0.000 1.009 44 R CA 0.721 56.618 56.100 -0.338 0.000 1.063 44 R CB 0.200 30.142 30.300 -0.597 0.000 0.945 44 R HN 0.228 nan 8.270 nan 0.000 0.414 45 F N -0.551 119.421 119.950 0.038 0.000 2.496 45 F HA -0.283 4.244 4.527 -0.001 0.000 0.523 45 F C 0.632 176.425 175.800 -0.011 0.000 0.526 45 F CA 0.859 58.853 58.000 -0.009 0.000 1.272 45 F CB -1.425 37.560 39.000 -0.025 0.000 1.968 45 F HN 0.631 nan 8.300 nan 0.000 0.263 46 R N 1.682 122.270 120.500 0.146 0.000 2.679 46 R HA 0.409 4.749 4.340 -0.001 0.000 0.269 46 R C 0.759 177.098 176.300 0.064 0.000 1.076 46 R CA -0.662 55.492 56.100 0.091 0.000 1.160 46 R CB 0.481 30.818 30.300 0.062 0.000 1.054 46 R HN 0.133 nan 8.270 nan 0.000 0.507 47 R N 1.996 122.530 120.500 0.057 0.000 2.694 47 R HA 0.098 4.438 4.340 -0.001 0.000 0.268 47 R C -1.910 174.425 176.300 0.058 0.000 1.061 47 R CA -1.225 54.908 56.100 0.056 0.000 1.133 47 R CB -0.174 30.160 30.300 0.058 0.000 1.020 47 R HN 0.432 nan 8.270 nan 0.000 0.475 48 P HA 0.022 nan 4.420 nan 0.000 0.271 48 P C -1.014 176.333 177.300 0.079 0.000 1.218 48 P CA -0.020 63.131 63.100 0.085 0.000 0.780 48 P CB 0.761 32.545 31.700 0.141 0.000 0.901 49 E N 3.278 123.518 120.200 0.067 0.000 2.183 49 E HA 0.447 4.796 4.350 -0.001 0.000 0.271 49 E C -2.514 174.133 176.600 0.079 0.000 0.919 49 E CA -2.904 53.533 56.400 0.061 0.000 0.781 49 E CB 1.079 30.803 29.700 0.039 0.000 1.140 49 E HN 0.240 nan 8.360 nan 0.000 0.402 50 P HA 0.018 nan 4.420 nan 0.000 0.269 50 P C -1.320 176.045 177.300 0.110 0.000 1.209 50 P CA -0.295 62.879 63.100 0.123 0.000 0.776 50 P CB 0.434 32.201 31.700 0.111 0.000 0.876 51 K N 3.931 124.415 120.400 0.141 0.000 2.363 51 K HA 0.049 4.369 4.320 -0.001 0.000 0.289 51 K C -0.109 176.592 176.600 0.169 0.000 1.063 51 K CA 0.058 56.424 56.287 0.132 0.000 0.967 51 K CB -0.276 32.323 32.500 0.166 0.000 0.987 51 K HN 0.161 nan 8.250 nan 0.000 0.473 52 K N 5.625 126.110 120.400 0.141 0.000 2.524 52 K HA 0.047 4.366 4.320 -0.001 0.000 0.279 52 K C -2.211 174.505 176.600 0.193 0.000 0.993 52 K CA -1.453 54.913 56.287 0.132 0.000 1.030 52 K CB -0.360 32.213 32.500 0.122 0.000 0.891 52 K HN 0.519 nan 8.250 nan 0.000 0.488 53 P HA 0.070 nan 4.420 nan 0.000 0.272 53 P C -0.725 176.675 177.300 0.168 0.000 1.248 53 P CA -0.091 62.993 63.100 -0.027 0.000 0.799 53 P CB 0.308 31.919 31.700 -0.147 0.000 0.997 54 W N -1.367 120.002 121.300 0.115 0.000 3.055 54 W HA 0.741 5.401 4.660 -0.001 0.000 0.340 54 W C -1.345 175.247 176.519 0.121 0.000 1.180 54 W CA -0.879 56.554 57.345 0.147 0.000 1.077 54 W CB 0.175 29.792 29.460 0.261 0.000 1.479 54 W HN 0.373 nan 8.180 nan 0.000 0.593 55 S N 0.989 116.907 115.700 0.364 0.000 2.536 55 S HA 0.893 5.362 4.470 -0.001 0.000 0.287 55 S C -0.226 174.557 174.600 0.305 0.000 1.101 55 S CA -0.185 58.143 58.200 0.214 0.000 0.950 55 S CB 1.177 64.447 63.200 0.117 0.000 1.056 55 S HN 2.350 nan 8.310 nan 0.000 0.481 56 G N 0.508 109.455 108.800 0.245 0.000 2.612 56 G HA2 0.089 4.049 3.960 -0.001 0.000 0.686 56 G HA3 0.089 4.049 3.960 -0.001 0.000 0.686 56 G C -0.940 174.152 174.900 0.320 0.000 1.274 56 G CA -0.592 44.637 45.100 0.215 0.000 0.849 56 G HN 1.596 nan 8.290 nan 0.000 0.595 57 V N 1.671 121.720 119.914 0.226 0.000 2.555 57 V HA 0.391 4.510 4.120 -0.001 0.000 0.286 57 V C 0.887 177.148 176.094 0.278 0.000 1.044 57 V CA -0.297 62.171 62.300 0.281 0.000 1.026 57 V CB 1.384 33.310 31.823 0.172 0.000 0.981 57 V HN 0.697 nan 8.190 nan 0.000 0.480 58 W N 5.221 126.678 121.300 0.262 0.000 2.272 58 W HA 0.253 4.912 4.660 -0.001 0.000 0.318 58 W C 0.113 176.659 176.519 0.046 0.000 1.255 58 W CA -0.594 56.739 57.345 -0.019 0.000 1.200 58 W CB 0.997 30.311 29.460 -0.244 0.000 1.170 58 W HN 0.614 nan 8.180 nan 0.000 0.549 59 N N 4.619 123.087 118.700 -0.386 0.000 2.521 59 N HA 0.234 4.974 4.740 -0.001 0.000 0.236 59 N C -0.451 175.069 175.510 0.016 0.000 1.067 59 N CA 0.063 53.025 53.050 -0.147 0.000 0.939 59 N CB 0.754 39.088 38.487 -0.255 0.000 1.201 59 N HN 0.386 nan 8.380 nan 0.000 0.511 60 A N 2.577 125.525 122.820 0.214 0.000 3.282 60 A HA 0.171 4.490 4.320 -0.001 0.000 0.287 60 A C 1.103 178.695 177.584 0.014 0.000 1.366 60 A CA -0.433 51.733 52.037 0.215 0.000 1.069 60 A CB -0.574 18.627 19.000 0.335 0.000 1.109 60 A HN 0.596 nan 8.150 nan 0.000 0.638 61 S N -0.794 114.880 115.700 -0.044 0.000 2.556 61 S HA 0.170 4.639 4.470 -0.001 0.000 0.216 61 S C 0.656 175.176 174.600 -0.133 0.000 0.970 61 S CA 0.521 58.656 58.200 -0.108 0.000 0.912 61 S CB -0.331 62.812 63.200 -0.095 0.000 0.790 61 S HN 0.831 nan 8.310 nan 0.000 0.504 62 T N -1.248 113.240 114.554 -0.110 0.000 2.923 62 T HA 0.573 4.922 4.350 -0.001 0.000 0.311 62 T C -0.918 173.755 174.700 -0.046 0.000 1.183 62 T CA -0.817 61.215 62.100 -0.113 0.000 1.020 62 T CB 0.527 69.356 68.868 -0.065 0.000 1.165 62 T HN 0.035 nan 8.240 nan 0.000 0.482 63 Y N 2.907 123.187 120.300 -0.033 0.000 2.788 63 Y HA 0.280 4.830 4.550 -0.001 0.000 0.341 63 Y C -1.398 174.445 175.900 -0.095 0.000 1.258 63 Y CA -0.859 57.222 58.100 -0.032 0.000 1.503 63 Y CB 0.010 38.474 38.460 0.006 0.000 1.325 63 Y HN 0.525 nan 8.280 nan 0.000 0.614 64 P HA 0.128 nan 4.420 nan 0.000 0.281 64 P C -0.633 176.575 177.300 -0.154 0.000 1.281 64 P CA -0.578 62.395 63.100 -0.212 0.000 0.811 64 P CB 0.926 32.389 31.700 -0.395 0.000 1.154 65 N N 0.177 118.747 118.700 -0.218 0.000 2.288 65 N HA 0.101 4.840 4.740 -0.001 0.000 0.237 65 N C 0.159 175.627 175.510 -0.071 0.000 1.311 65 N CA 0.295 53.274 53.050 -0.118 0.000 0.909 65 N CB -0.123 38.303 38.487 -0.101 0.000 1.167 65 N HN 0.434 nan 8.380 nan 0.000 0.476 66 N N -0.892 117.771 118.700 -0.063 0.000 2.404 66 N HA 0.324 5.063 4.740 -0.001 0.000 0.297 66 N C -0.640 174.840 175.510 -0.049 0.000 1.163 66 N CA -0.694 52.323 53.050 -0.055 0.000 0.864 66 N CB 1.428 39.862 38.487 -0.089 0.000 1.247 66 N HN 0.375 nan 8.380 nan 0.000 0.510 67 c N 1.359 119.938 118.600 -0.035 0.000 2.652 67 c HA 0.063 4.632 4.570 -0.001 0.000 0.412 67 c C 0.797 174.842 174.090 -0.074 0.000 1.294 67 c CA -0.672 55.627 56.329 -0.050 0.000 2.127 67 c CB -0.099 42.416 42.510 0.008 0.000 2.691 67 c HN 0.524 nan 8.230 nan 0.000 0.615 68 Q N 2.519 122.210 119.800 -0.183 0.000 2.349 68 Q HA 0.214 4.553 4.340 -0.001 0.000 0.287 68 Q C -0.041 175.993 176.000 0.056 0.000 1.044 68 Q CA 1.020 56.724 55.803 -0.166 0.000 0.918 68 Q CB 0.362 28.775 28.738 -0.542 0.000 1.242 68 Q HN 0.917 nan 8.270 nan 0.000 0.405 69 Q N 0.580 120.477 119.800 0.160 0.000 2.829 69 Q HA 0.209 4.548 4.340 -0.001 0.000 0.296 69 Q C -1.502 174.693 176.000 0.325 0.000 0.893 69 Q CA -0.948 55.032 55.803 0.295 0.000 0.772 69 Q CB 0.370 29.232 28.738 0.207 0.000 1.489 69 Q HN 0.500 nan 8.270 nan 0.000 0.420 70 Y N 1.574 122.094 120.300 0.366 0.000 2.537 70 Y HA 0.368 4.917 4.550 -0.001 0.000 0.339 70 Y C -0.863 175.237 175.900 0.333 0.000 1.066 70 Y CA 0.085 58.422 58.100 0.395 0.000 1.357 70 Y CB 0.665 39.471 38.460 0.576 0.000 1.175 70 Y HN 0.439 nan 8.280 nan 0.000 0.525 71 V N 6.500 126.201 119.914 -0.355 0.000 2.567 71 V HA 0.093 4.212 4.120 -0.001 0.000 0.289 71 V C -0.200 175.601 176.094 -0.488 0.000 1.049 71 V CA -0.750 61.401 62.300 -0.248 0.000 0.969 71 V CB 1.446 33.193 31.823 -0.126 0.000 0.995 71 V HN 0.710 nan 8.190 nan 0.000 0.471 72 D N 2.929 123.252 120.400 -0.128 0.000 2.280 72 D HA 0.241 4.880 4.640 -0.001 0.000 0.243 72 D C 0.540 176.878 176.300 0.063 0.000 1.129 72 D CA -0.123 53.901 54.000 0.041 0.000 0.848 72 D CB 1.026 42.014 40.800 0.314 0.000 1.107 72 D HN 0.634 nan 8.370 nan 0.000 0.471 73 E N 2.855 123.072 120.200 0.028 0.000 2.603 73 E HA -0.024 4.325 4.350 -0.001 0.000 0.211 73 E C 1.057 177.634 176.600 -0.039 0.000 0.995 73 E CA -0.224 56.186 56.400 0.017 0.000 0.990 73 E CB 0.643 30.337 29.700 -0.011 0.000 1.036 73 E HN 0.508 nan 8.360 nan 0.000 0.475 74 Q N -0.165 119.578 119.800 -0.095 0.000 2.152 74 Q HA -0.110 4.230 4.340 -0.001 0.000 0.206 74 Q C 0.061 175.602 176.000 -0.765 0.000 0.985 74 Q CA 1.271 56.766 55.803 -0.514 0.000 0.863 74 Q CB 0.098 28.349 28.738 -0.811 0.000 0.904 74 Q HN 0.219 nan 8.270 nan 0.000 0.422 75 F N -0.120 119.898 119.950 0.113 0.000 2.564 75 F HA 0.350 4.876 4.527 -0.001 0.000 0.329 75 F C -2.164 173.715 175.800 0.132 0.000 1.458 75 F CA -2.902 55.158 58.000 0.100 0.000 1.117 75 F CB 0.835 39.936 39.000 0.169 0.000 1.383 75 F HN -0.163 nan 8.300 nan 0.000 0.571 76 P HA 0.085 nan 4.420 nan 0.000 0.259 76 P C 1.085 178.469 177.300 0.139 0.000 1.163 76 P CA 1.663 64.837 63.100 0.124 0.000 0.760 76 P CB 0.550 32.288 31.700 0.064 0.000 0.762 77 G N 2.887 111.755 108.800 0.114 0.000 2.304 77 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.252 77 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.252 77 G C 0.120 175.095 174.900 0.125 0.000 1.014 77 G CA -0.318 44.834 45.100 0.087 0.000 0.619 77 G HN 0.552 nan 8.290 nan 0.000 0.525 78 F N 3.704 123.656 119.950 0.003 0.000 2.533 78 F HA 0.466 4.993 4.527 -0.001 0.000 0.378 78 F C 1.767 177.512 175.800 -0.092 0.000 1.070 78 F CA -0.207 57.740 58.000 -0.088 0.000 1.172 78 F CB 0.837 39.763 39.000 -0.124 0.000 1.085 78 F HN 0.309 nan 8.300 nan 0.000 0.552 79 S N 3.760 119.151 115.700 -0.515 0.000 2.370 79 S HA -0.147 4.323 4.470 -0.001 0.000 0.226 79 S C 2.313 176.493 174.600 -0.700 0.000 1.033 79 S CA 0.979 58.880 58.200 -0.498 0.000 1.011 79 S CB -1.405 61.559 63.200 -0.393 0.000 0.852 79 S HN 0.813 nan 8.310 nan 0.000 0.457 80 G N 1.379 109.285 108.800 -1.490 0.000 2.532 80 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.222 80 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.222 80 G C 1.606 176.515 174.900 0.016 0.000 1.102 80 G CA 1.509 45.928 45.100 -1.134 0.000 0.742 80 G HN 0.893 nan 8.290 nan 0.000 0.577 81 S N -1.189 114.525 115.700 0.023 0.000 2.575 81 S HA 0.158 4.627 4.470 -0.001 0.000 0.230 81 S C 1.659 176.512 174.600 0.421 0.000 1.062 81 S CA 0.372 58.995 58.200 0.705 0.000 0.913 81 S CB 0.096 63.868 63.200 0.954 0.000 0.837 81 S HN 0.362 nan 8.310 nan 0.000 0.487 82 E N 2.229 122.506 120.200 0.128 0.000 2.358 82 E HA -0.022 4.328 4.350 -0.001 0.000 0.195 82 E C 1.938 178.484 176.600 -0.089 0.000 1.010 82 E CA 1.071 57.501 56.400 0.050 0.000 0.856 82 E CB -0.416 29.283 29.700 -0.002 0.000 0.795 82 E HN 0.863 nan 8.360 nan 0.000 0.504 83 M N -1.920 117.529 119.600 -0.251 0.000 2.539 83 M HA -0.061 4.419 4.480 -0.001 0.000 0.261 83 M C 1.008 176.907 176.300 -0.668 0.000 1.069 83 M CA 1.410 56.401 55.300 -0.515 0.000 1.081 83 M CB -0.372 31.804 32.600 -0.706 0.000 1.412 83 M HN 0.007 nan 8.290 nan 0.000 0.482 84 W N 0.695 121.935 121.300 -0.099 0.000 3.220 84 W HA 0.323 4.982 4.660 -0.001 0.000 0.328 84 W C 0.276 176.728 176.519 -0.112 0.000 1.205 84 W CA -0.932 56.330 57.345 -0.139 0.000 1.773 84 W CB 0.004 29.419 29.460 -0.075 0.000 1.086 84 W HN 0.088 nan 8.180 nan 0.000 0.622 85 N N 1.329 120.078 118.700 0.082 0.000 2.483 85 N HA 0.188 4.928 4.740 -0.001 0.000 0.269 85 N C -2.520 172.964 175.510 -0.044 0.000 1.209 85 N CA -1.612 51.462 53.050 0.041 0.000 0.969 85 N CB 0.195 38.705 38.487 0.038 0.000 1.173 85 N HN -0.375 nan 8.380 nan 0.000 0.475 86 P HA 0.057 nan 4.420 nan 0.000 0.263 86 P C -0.026 177.222 177.300 -0.087 0.000 1.195 86 P CA 0.001 63.050 63.100 -0.085 0.000 0.762 86 P CB 0.203 31.865 31.700 -0.064 0.000 0.799 87 N N 2.935 121.566 118.700 -0.116 0.000 2.321 87 N HA 0.110 4.850 4.740 -0.001 0.000 0.242 87 N C 0.061 175.520 175.510 -0.084 0.000 1.141 87 N CA -0.160 52.828 53.050 -0.102 0.000 0.864 87 N CB 0.270 38.680 38.487 -0.127 0.000 1.100 87 N HN 0.177 nan 8.380 nan 0.000 0.510 88 R N -1.045 119.407 120.500 -0.079 0.000 2.781 88 R HA 0.242 4.581 4.340 -0.001 0.000 0.269 88 R C -1.131 175.134 176.300 -0.058 0.000 1.025 88 R CA -0.652 55.410 56.100 -0.063 0.000 0.914 88 R CB 0.921 31.178 30.300 -0.071 0.000 1.236 88 R HN 0.179 nan 8.270 nan 0.000 0.465 89 E N 1.539 121.707 120.200 -0.053 0.000 2.413 89 E HA 0.106 4.455 4.350 -0.001 0.000 0.263 89 E C -0.142 176.423 176.600 -0.057 0.000 1.015 89 E CA 0.199 56.569 56.400 -0.049 0.000 0.916 89 E CB 0.424 30.095 29.700 -0.048 0.000 0.947 89 E HN 0.352 nan 8.360 nan 0.000 0.440 90 M N 2.891 122.459 119.600 -0.053 0.000 2.342 90 M HA 0.449 4.929 4.480 -0.001 0.000 0.332 90 M C 0.132 176.387 176.300 -0.074 0.000 1.166 90 M CA -0.230 55.032 55.300 -0.063 0.000 1.086 90 M CB 1.857 34.425 32.600 -0.052 0.000 1.541 90 M HN 0.610 nan 8.290 nan 0.000 0.462 91 S N -0.209 115.435 115.700 -0.093 0.000 2.552 91 S HA 0.210 4.680 4.470 -0.001 0.000 0.272 91 S C -0.056 174.460 174.600 -0.140 0.000 1.150 91 S CA -0.673 57.467 58.200 -0.101 0.000 0.849 91 S CB 1.433 64.595 63.200 -0.063 0.000 1.113 91 S HN 0.828 nan 8.310 nan 0.000 0.458 92 E N 0.838 120.934 120.200 -0.174 0.000 2.347 92 E HA -0.073 4.276 4.350 -0.001 0.000 0.196 92 E C -0.303 176.236 176.600 -0.102 0.000 1.008 92 E CA 0.482 56.754 56.400 -0.213 0.000 0.852 92 E CB 0.099 29.661 29.700 -0.230 0.000 0.783 92 E HN 0.486 nan 8.360 nan 0.000 0.505 93 D N 0.460 120.836 120.400 -0.040 0.000 2.522 93 D HA 0.005 4.644 4.640 -0.001 0.000 0.218 93 D C 0.261 176.660 176.300 0.164 0.000 1.149 93 D CA -0.316 53.712 54.000 0.047 0.000 0.981 93 D CB -0.163 40.681 40.800 0.075 0.000 1.041 93 D HN 0.125 nan 8.370 nan 0.000 0.518 94 c N 1.677 120.350 118.600 0.123 0.000 3.642 94 c HA 0.394 4.963 4.570 -0.001 0.000 0.305 94 c C 0.890 175.108 174.090 0.212 0.000 1.492 94 c CA -0.649 55.807 56.329 0.213 0.000 1.809 94 c CB -1.253 41.301 42.510 0.073 0.000 2.639 94 c HN 0.384 nan 8.230 nan 0.000 0.672 95 L N 2.616 123.737 121.223 -0.170 0.000 2.536 95 L HA 0.316 4.656 4.340 -0.001 0.000 0.282 95 L C -0.891 175.262 176.870 -1.194 0.000 1.174 95 L CA 0.823 55.293 54.840 -0.616 0.000 0.989 95 L CB -0.787 40.823 42.059 -0.748 0.000 1.311 95 L HN 0.377 nan 8.230 nan 0.000 0.455 96 Y N 2.416 122.435 120.300 -0.468 0.000 2.588 96 Y HA 0.617 5.167 4.550 -0.001 0.000 0.343 96 Y C -0.179 175.736 175.900 0.024 0.000 1.065 96 Y CA -1.246 56.668 58.100 -0.311 0.000 1.038 96 Y CB 1.964 40.331 38.460 -0.156 0.000 1.297 96 Y HN 0.255 nan 8.280 nan 0.000 0.467 97 L N 0.017 121.337 121.223 0.160 0.000 2.333 97 L HA 0.797 5.136 4.340 -0.001 0.000 0.263 97 L C -1.227 175.686 176.870 0.071 0.000 1.014 97 L CA -1.009 53.935 54.840 0.173 0.000 0.820 97 L CB 1.906 44.030 42.059 0.108 0.000 1.352 97 L HN 0.474 nan 8.230 nan 0.000 0.421 98 N N 1.641 120.388 118.700 0.079 0.000 2.258 98 N HA 0.685 5.425 4.740 -0.001 0.000 0.299 98 N C -1.403 173.997 175.510 -0.182 0.000 1.047 98 N CA -0.184 52.804 53.050 -0.104 0.000 0.814 98 N CB 2.753 41.176 38.487 -0.107 0.000 1.413 98 N HN 0.625 nan 8.380 nan 0.000 0.478 99 I N 0.733 121.118 120.570 -0.307 0.000 2.436 99 I HA 0.399 4.569 4.170 -0.001 0.000 0.289 99 I C -0.644 175.354 176.117 -0.199 0.000 1.010 99 I CA -0.679 60.534 61.300 -0.146 0.000 1.098 99 I CB 2.080 39.945 38.000 -0.225 0.000 1.266 99 I HN 0.235 nan 8.210 nan 0.000 0.434 100 W N 5.899 127.324 121.300 0.209 0.000 2.478 100 W HA 0.630 5.289 4.660 -0.001 0.000 0.318 100 W C -1.045 175.608 176.519 0.223 0.000 1.062 100 W CA -0.653 56.812 57.345 0.201 0.000 1.210 100 W CB 2.096 31.651 29.460 0.159 0.000 1.325 100 W HN 0.075 nan 8.180 nan 0.000 0.496 101 V N 4.614 124.773 119.914 0.408 0.000 2.531 101 V HA 0.276 4.395 4.120 -0.001 0.000 0.301 101 V C -2.120 174.149 176.094 0.292 0.000 1.034 101 V CA -2.407 60.104 62.300 0.352 0.000 0.865 101 V CB 2.020 34.102 31.823 0.432 0.000 0.995 101 V HN 0.264 nan 8.190 nan 0.000 0.424 102 P HA 0.101 nan 4.420 nan 0.000 0.268 102 P C -0.532 176.865 177.300 0.162 0.000 1.208 102 P CA 0.298 63.499 63.100 0.168 0.000 0.777 102 P CB 0.538 32.297 31.700 0.097 0.000 0.875 103 S N 2.212 117.998 115.700 0.143 0.000 2.552 103 S HA 0.518 4.987 4.470 -0.001 0.000 0.314 103 S C -2.501 172.154 174.600 0.091 0.000 1.099 103 S CA -1.635 56.641 58.200 0.127 0.000 1.070 103 S CB 0.175 63.453 63.200 0.130 0.000 0.998 103 S HN 0.233 nan 8.310 nan 0.000 0.474 104 P HA 0.151 nan 4.420 nan 0.000 0.271 104 P C -0.377 176.976 177.300 0.089 0.000 1.216 104 P CA -0.474 62.673 63.100 0.078 0.000 0.771 104 P CB 0.382 32.115 31.700 0.056 0.000 0.864 105 R N 3.924 124.491 120.500 0.112 0.000 2.494 105 R HA 0.027 4.366 4.340 -0.001 0.000 0.291 105 R C -1.930 174.423 176.300 0.088 0.000 0.953 105 R CA -0.682 55.494 56.100 0.127 0.000 1.098 105 R CB -0.385 29.994 30.300 0.131 0.000 0.911 105 R HN 0.378 nan 8.270 nan 0.000 0.407 106 P HA 0.096 nan 4.420 nan 0.000 0.275 106 P C -0.214 177.112 177.300 0.043 0.000 1.266 106 P CA -0.409 62.724 63.100 0.054 0.000 0.793 106 P CB 0.707 32.440 31.700 0.055 0.000 1.074 107 K N -0.965 119.448 120.400 0.022 0.000 2.287 107 K HA 0.222 4.542 4.320 -0.001 0.000 0.199 107 K C 0.222 176.817 176.600 -0.009 0.000 1.061 107 K CA 0.825 57.116 56.287 0.007 0.000 0.976 107 K CB 0.057 32.557 32.500 -0.000 0.000 0.898 107 K HN 0.198 nan 8.250 nan 0.000 0.492 108 S N 1.568 117.265 115.700 -0.006 0.000 2.592 108 S HA 0.158 4.627 4.470 -0.001 0.000 0.151 108 S C -0.820 173.774 174.600 -0.010 0.000 1.280 108 S CA -0.488 57.701 58.200 -0.019 0.000 1.187 108 S CB 0.685 63.863 63.200 -0.036 0.000 1.471 108 S HN 0.225 nan 8.310 nan 0.000 0.409 109 T N 0.442 115.000 114.554 0.007 0.000 2.936 109 T HA 0.542 4.891 4.350 -0.001 0.000 0.282 109 T C 0.348 175.052 174.700 0.007 0.000 1.003 109 T CA -0.845 61.260 62.100 0.008 0.000 1.005 109 T CB 0.788 69.671 68.868 0.026 0.000 1.097 109 T HN 0.291 nan 8.240 nan 0.000 0.532 110 T N 1.585 116.138 114.554 -0.002 0.000 2.934 110 T HA 0.322 4.672 4.350 -0.001 0.000 0.306 110 T C 0.132 174.846 174.700 0.024 0.000 1.042 110 T CA -0.493 61.603 62.100 -0.006 0.000 1.145 110 T CB 0.154 69.005 68.868 -0.030 0.000 0.982 110 T HN 0.464 nan 8.240 nan 0.000 0.544 111 V N 4.723 124.658 119.914 0.035 0.000 2.483 111 V HA 0.425 4.545 4.120 -0.001 0.000 0.295 111 V C 0.119 176.264 176.094 0.085 0.000 1.035 111 V CA -0.685 61.660 62.300 0.076 0.000 0.896 111 V CB 1.474 33.347 31.823 0.083 0.000 0.986 111 V HN 0.853 nan 8.190 nan 0.000 0.447 112 M N 4.889 124.566 119.600 0.128 0.000 2.085 112 M HA 0.458 4.937 4.480 -0.001 0.000 0.309 112 M C -1.188 175.347 176.300 0.391 0.000 0.947 112 M CA -0.529 54.858 55.300 0.145 0.000 0.918 112 M CB 1.867 34.453 32.600 -0.025 0.000 1.504 112 M HN 0.362 nan 8.290 nan 0.000 0.420 113 V N 3.597 123.764 119.914 0.422 0.000 2.350 113 V HA 0.280 4.400 4.120 -0.001 0.000 0.276 113 V C -0.589 175.832 176.094 0.544 0.000 1.028 113 V CA -0.565 61.985 62.300 0.417 0.000 0.860 113 V CB 1.190 33.143 31.823 0.216 0.000 0.990 113 V HN 0.834 nan 8.190 nan 0.000 0.453 114 W N 7.242 128.710 121.300 0.280 0.000 2.331 114 W HA 0.576 5.235 4.660 -0.001 0.000 0.306 114 W C -1.200 175.271 176.519 -0.080 0.000 1.162 114 W CA -0.819 56.481 57.345 -0.076 0.000 1.232 114 W CB 1.151 30.597 29.460 -0.024 0.000 1.235 114 W HN 0.451 nan 8.180 nan 0.000 0.479 115 I N 9.431 129.456 120.570 -0.908 0.000 2.328 115 I HA 0.063 4.233 4.170 -0.001 0.000 0.287 115 I C -0.055 175.362 176.117 -1.166 0.000 1.012 115 I CA -1.111 59.734 61.300 -0.759 0.000 1.195 115 I CB 0.397 38.106 38.000 -0.485 0.000 1.350 115 I HN 0.289 nan 8.210 nan 0.000 0.464 116 Y N 4.625 124.498 120.300 -0.712 0.000 2.511 116 Y HA 0.596 5.145 4.550 -0.001 0.000 0.347 116 Y C 0.806 176.539 175.900 -0.277 0.000 1.257 116 Y CA -0.928 56.844 58.100 -0.547 0.000 1.469 116 Y CB -0.206 38.175 38.460 -0.132 0.000 1.353 116 Y HN 0.538 nan 8.280 nan 0.000 0.617 117 G N -0.768 108.068 108.800 0.060 0.000 2.531 117 G HA2 0.488 4.447 3.960 -0.001 0.000 0.281 117 G HA3 0.488 4.447 3.960 -0.001 0.000 0.281 117 G C 0.309 175.174 174.900 -0.057 0.000 1.382 117 G CA -0.888 44.176 45.100 -0.060 0.000 1.045 117 G HN 1.740 nan 8.290 nan 0.000 0.533 118 G N -2.901 105.719 108.800 -0.300 0.000 2.223 118 G HA2 0.405 4.364 3.960 -0.001 0.000 0.200 118 G HA3 0.405 4.364 3.960 -0.001 0.000 0.200 118 G C 1.058 175.450 174.900 -0.845 0.000 1.061 118 G CA 0.703 45.498 45.100 -0.510 0.000 0.790 118 G HN 2.302 nan 8.290 nan 0.000 0.498 119 G N -0.539 107.750 108.800 -0.852 0.000 2.212 119 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.267 119 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.267 119 G C 1.002 175.616 174.900 -0.477 0.000 1.002 119 G CA 0.984 45.331 45.100 -1.255 0.000 0.729 119 G HN 1.732 nan 8.290 nan 0.000 0.517 120 F N -3.530 116.284 119.950 -0.228 0.000 2.778 120 F HA -0.338 4.188 4.527 -0.001 0.000 0.399 120 F C 1.626 177.497 175.800 0.119 0.000 0.604 120 F CA 2.217 60.206 58.000 -0.018 0.000 1.106 120 F CB -2.009 36.838 39.000 -0.255 0.000 1.643 120 F HN 0.814 nan 8.300 nan 0.000 0.290 121 Y N -0.353 120.034 120.300 0.145 0.000 2.478 121 Y HA 0.605 5.155 4.550 -0.001 0.000 0.261 121 Y C 0.853 176.891 175.900 0.229 0.000 1.127 121 Y CA 0.389 58.607 58.100 0.196 0.000 1.288 121 Y CB -0.099 38.408 38.460 0.079 0.000 1.084 121 Y HN 0.112 nan 8.280 nan 0.000 0.530 122 S N -0.939 114.554 115.700 -0.345 0.000 2.752 122 S HA 0.904 5.373 4.470 -0.001 0.000 0.284 122 S C -0.283 174.176 174.600 -0.235 0.000 1.189 122 S CA -0.455 57.620 58.200 -0.209 0.000 0.835 122 S CB 1.539 64.588 63.200 -0.253 0.000 1.192 122 S HN 1.183 nan 8.310 nan 0.000 0.506 123 G N -0.415 108.198 108.800 -0.313 0.000 2.316 123 G HA2 0.449 4.408 3.960 -0.001 0.000 0.468 123 G HA3 0.449 4.408 3.960 -0.001 0.000 0.468 123 G C -1.285 173.019 174.900 -0.992 0.000 1.523 123 G CA -0.337 44.348 45.100 -0.693 0.000 0.972 123 G HN 1.291 nan 8.290 nan 0.000 0.667 124 S N -0.827 114.287 115.700 -0.976 0.000 2.543 124 S HA 0.623 5.092 4.470 -0.001 0.000 0.271 124 S C 0.787 175.279 174.600 -0.181 0.000 1.148 124 S CA 0.076 57.957 58.200 -0.532 0.000 0.914 124 S CB 1.761 64.808 63.200 -0.256 0.000 1.096 124 S HN 1.893 nan 8.310 nan 0.000 0.471 125 S N 0.028 115.785 115.700 0.095 0.000 2.593 125 S HA -0.021 4.448 4.470 -0.001 0.000 0.217 125 S C 1.214 175.912 174.600 0.164 0.000 0.966 125 S CA 0.611 59.050 58.200 0.398 0.000 0.914 125 S CB -0.586 62.892 63.200 0.464 0.000 0.776 125 S HN 0.801 nan 8.310 nan 0.000 0.523 126 T N 0.039 114.509 114.554 -0.140 0.000 3.069 126 T HA 0.415 4.765 4.350 -0.001 0.000 0.252 126 T C 0.624 175.048 174.700 -0.460 0.000 1.053 126 T CA -0.556 61.179 62.100 -0.608 0.000 0.964 126 T CB -0.421 68.000 68.868 -0.744 0.000 1.005 126 T HN 0.297 nan 8.240 nan 0.000 0.532 127 L N 1.739 122.779 121.223 -0.305 0.000 2.483 127 L HA 0.135 4.474 4.340 -0.001 0.000 0.277 127 L C 1.365 177.986 176.870 -0.415 0.000 1.248 127 L CA -0.253 54.320 54.840 -0.445 0.000 0.825 127 L CB 0.292 41.894 42.059 -0.761 0.000 1.096 127 L HN 0.096 nan 8.230 nan 0.000 0.512 128 D N 0.456 120.610 120.400 -0.411 0.000 2.183 128 D HA -0.093 4.547 4.640 -0.001 0.000 0.203 128 D C 1.959 178.025 176.300 -0.389 0.000 0.969 128 D CA 1.113 54.934 54.000 -0.298 0.000 0.842 128 D CB 0.122 40.774 40.800 -0.247 0.000 0.957 128 D HN 0.506 nan 8.370 nan 0.000 0.484 129 V N -0.876 118.671 119.914 -0.613 0.000 3.078 129 V HA -0.148 3.972 4.120 -0.001 0.000 0.265 129 V C 1.305 176.930 176.094 -0.782 0.000 1.122 129 V CA 0.958 62.872 62.300 -0.644 0.000 1.141 129 V CB -1.117 30.257 31.823 -0.749 0.000 0.735 129 V HN 0.045 nan 8.190 nan 0.000 0.498 130 Y N 0.725 120.544 120.300 -0.801 0.000 2.532 130 Y HA 0.381 4.931 4.550 -0.001 0.000 0.283 130 Y C 1.048 176.473 175.900 -0.793 0.000 1.181 130 Y CA -1.681 55.682 58.100 -1.229 0.000 1.256 130 Y CB -1.382 36.686 38.460 -0.653 0.000 1.112 130 Y HN 0.378 nan 8.280 nan 0.000 0.521 131 N N 0.883 119.345 118.700 -0.396 0.000 2.406 131 N HA 0.092 4.832 4.740 -0.001 0.000 0.269 131 N C 1.418 176.672 175.510 -0.426 0.000 1.210 131 N CA 0.298 53.145 53.050 -0.338 0.000 0.966 131 N CB 0.398 38.825 38.487 -0.100 0.000 1.293 131 N HN 0.357 nan 8.380 nan 0.000 0.491 132 G N 3.032 111.257 108.800 -0.959 0.000 2.882 132 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.206 132 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.206 132 G C 1.269 175.816 174.900 -0.589 0.000 1.155 132 G CA 0.316 45.085 45.100 -0.551 0.000 0.800 132 G HN 0.748 nan 8.290 nan 0.000 0.524 133 K N -0.683 119.193 120.400 -0.873 0.000 2.217 133 K HA -0.038 4.282 4.320 -0.001 0.000 0.202 133 K C 1.539 177.964 176.600 -0.291 0.000 1.051 133 K CA 0.707 56.682 56.287 -0.521 0.000 0.952 133 K CB -0.346 31.815 32.500 -0.565 0.000 0.736 133 K HN 0.360 nan 8.250 nan 0.000 0.453 134 Y N 0.756 121.005 120.300 -0.084 0.000 2.337 134 Y HA -0.039 4.511 4.550 -0.001 0.000 0.293 134 Y C 2.163 178.091 175.900 0.047 0.000 1.123 134 Y CA 0.168 58.265 58.100 -0.005 0.000 1.201 134 Y CB -0.148 38.274 38.460 -0.064 0.000 1.011 134 Y HN 0.005 nan 8.280 nan 0.000 0.545 135 L N 0.180 121.482 121.223 0.132 0.000 2.068 135 L HA 0.012 4.352 4.340 -0.001 0.000 0.204 135 L C 2.395 179.321 176.870 0.092 0.000 1.076 135 L CA 1.738 56.614 54.840 0.060 0.000 0.753 135 L CB -1.324 40.702 42.059 -0.055 0.000 0.910 135 L HN 0.137 nan 8.230 nan 0.000 0.439 136 A N -1.009 121.880 122.820 0.114 0.000 1.849 136 A HA -0.346 3.974 4.320 -0.001 0.000 0.217 136 A C 2.333 180.005 177.584 0.146 0.000 1.202 136 A CA 2.234 54.368 52.037 0.162 0.000 0.629 136 A CB -1.448 17.703 19.000 0.252 0.000 0.834 136 A HN 0.586 nan 8.150 nan 0.000 0.447 137 Y N 1.006 121.336 120.300 0.050 0.000 2.030 137 Y HA -0.248 4.301 4.550 -0.001 0.000 0.274 137 Y C 2.774 178.704 175.900 0.050 0.000 1.153 137 Y CA 2.775 60.901 58.100 0.043 0.000 1.115 137 Y CB -0.943 37.518 38.460 0.002 0.000 0.969 137 Y HN 0.315 nan 8.280 nan 0.000 0.488 138 T N 0.436 115.135 114.554 0.240 0.000 2.699 138 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 138 T C 1.262 175.974 174.700 0.019 0.000 1.036 138 T CA 1.841 64.019 62.100 0.130 0.000 1.147 138 T CB -0.165 68.825 68.868 0.204 0.000 0.862 138 T HN 0.379 nan 8.240 nan 0.000 0.446 139 E N 0.153 120.378 120.200 0.043 0.000 2.501 139 E HA 0.177 4.527 4.350 -0.001 0.000 0.201 139 E C 0.170 176.780 176.600 0.018 0.000 1.016 139 E CA -0.012 56.416 56.400 0.046 0.000 0.920 139 E CB 0.313 30.049 29.700 0.060 0.000 1.023 139 E HN 0.514 nan 8.360 nan 0.000 0.474 140 E N -0.004 120.192 120.200 -0.007 0.000 2.389 140 E HA -0.169 4.181 4.350 -0.001 0.000 0.243 140 E C -0.470 176.152 176.600 0.037 0.000 1.154 140 E CA 0.561 56.963 56.400 0.002 0.000 0.723 140 E CB -1.341 28.351 29.700 -0.015 0.000 1.261 140 E HN 0.168 nan 8.360 nan 0.000 0.390 141 V N -3.628 116.324 119.914 0.063 0.000 2.960 141 V HA 0.724 4.844 4.120 -0.001 0.000 0.315 141 V C 0.459 176.632 176.094 0.130 0.000 1.087 141 V CA -1.088 61.257 62.300 0.075 0.000 0.982 141 V CB 2.235 34.090 31.823 0.053 0.000 1.039 141 V HN -0.077 nan 8.190 nan 0.000 0.437 142 V N 3.859 123.855 119.914 0.137 0.000 2.408 142 V HA 0.371 4.491 4.120 -0.001 0.000 0.267 142 V C -0.023 176.208 176.094 0.228 0.000 1.047 142 V CA -0.078 62.333 62.300 0.186 0.000 0.937 142 V CB 0.950 32.862 31.823 0.147 0.000 0.999 142 V HN 0.773 nan 8.190 nan 0.000 0.472 143 L N 6.701 128.125 121.223 0.335 0.000 2.272 143 L HA 0.601 4.941 4.340 -0.001 0.000 0.289 143 L C -0.448 176.725 176.870 0.504 0.000 1.032 143 L CA -0.020 55.078 54.840 0.430 0.000 0.810 143 L CB 1.499 43.844 42.059 0.477 0.000 1.205 143 L HN 0.441 nan 8.230 nan 0.000 0.422 144 V N 2.917 123.091 119.914 0.432 0.000 2.667 144 V HA 0.671 4.790 4.120 -0.001 0.000 0.308 144 V C -0.305 176.080 176.094 0.485 0.000 1.048 144 V CA -0.542 61.979 62.300 0.368 0.000 0.928 144 V CB 1.978 33.941 31.823 0.233 0.000 1.004 144 V HN 0.823 nan 8.190 nan 0.000 0.444 145 S N 4.234 120.222 115.700 0.480 0.000 2.647 145 S HA 0.806 5.276 4.470 -0.001 0.000 0.300 145 S C -0.925 173.899 174.600 0.372 0.000 1.129 145 S CA -0.778 57.737 58.200 0.524 0.000 1.029 145 S CB 1.441 65.065 63.200 0.705 0.000 1.007 145 S HN 0.753 nan 8.310 nan 0.000 0.484 146 L N 0.898 122.283 121.223 0.270 0.000 2.397 146 L HA 1.010 5.350 4.340 -0.001 0.000 0.266 146 L C 0.013 177.054 176.870 0.285 0.000 1.040 146 L CA -0.675 54.313 54.840 0.246 0.000 0.800 146 L CB 0.794 42.900 42.059 0.079 0.000 1.324 146 L HN 0.833 nan 8.230 nan 0.000 0.469 147 S N -1.275 114.658 115.700 0.388 0.000 2.599 147 S HA 0.879 5.349 4.470 -0.001 0.000 0.287 147 S C -1.174 173.673 174.600 0.411 0.000 1.105 147 S CA -0.597 57.828 58.200 0.375 0.000 0.899 147 S CB 1.432 64.885 63.200 0.422 0.000 1.100 147 S HN 1.018 nan 8.310 nan 0.000 0.482 148 Y N -1.480 118.951 120.300 0.219 0.000 2.597 148 Y HA 0.698 5.247 4.550 -0.001 0.000 0.340 148 Y C -0.582 175.468 175.900 0.249 0.000 1.097 148 Y CA -1.485 56.739 58.100 0.206 0.000 1.037 148 Y CB 0.827 39.357 38.460 0.117 0.000 1.305 148 Y HN 0.712 nan 8.280 nan 0.000 0.463 149 R N 1.809 122.484 120.500 0.290 0.000 2.489 149 R HA 0.494 4.834 4.340 -0.001 0.000 0.287 149 R C -0.352 176.141 176.300 0.321 0.000 1.053 149 R CA -0.232 55.989 56.100 0.201 0.000 1.036 149 R CB 0.755 31.130 30.300 0.125 0.000 0.966 149 R HN 0.676 nan 8.270 nan 0.000 0.432 150 V N 0.203 120.327 119.914 0.349 0.000 3.177 150 V HA 0.883 5.003 4.120 -0.001 0.000 0.319 150 V C 0.794 177.223 176.094 0.558 0.000 1.125 150 V CA -0.215 62.411 62.300 0.544 0.000 1.029 150 V CB 1.202 33.236 31.823 0.352 0.000 1.119 150 V HN 0.989 nan 8.190 nan 0.000 0.452 151 G N 0.499 109.672 108.800 0.623 0.000 2.601 151 G HA2 0.075 4.034 3.960 -0.001 0.000 0.252 151 G HA3 0.075 4.034 3.960 -0.001 0.000 0.252 151 G C 0.940 176.020 174.900 0.301 0.000 1.294 151 G CA 0.691 46.100 45.100 0.514 0.000 0.912 151 G HN 2.115 nan 8.290 nan 0.000 0.574 152 A N -1.259 121.451 122.820 -0.185 0.000 1.917 152 A HA 0.124 4.443 4.320 -0.001 0.000 0.219 152 A C 2.249 179.665 177.584 -0.281 0.000 1.182 152 A CA 2.784 54.328 52.037 -0.821 0.000 0.633 152 A CB -0.614 17.735 19.000 -1.086 0.000 0.819 152 A HN 1.134 nan 8.150 nan 0.000 0.448 153 F N -0.017 119.997 119.950 0.106 0.000 2.236 153 F HA -0.086 4.440 4.527 -0.001 0.000 0.302 153 F C 2.345 178.173 175.800 0.048 0.000 1.073 153 F CA 1.217 59.277 58.000 0.100 0.000 1.336 153 F CB -0.617 38.398 39.000 0.026 0.000 1.040 153 F HN 0.308 nan 8.300 nan 0.000 0.507 154 G N -2.918 105.957 108.800 0.126 0.000 2.944 154 G HA2 0.114 4.073 3.960 -0.001 0.000 0.223 154 G HA3 0.114 4.073 3.960 -0.001 0.000 0.223 154 G C 0.722 175.131 174.900 -0.818 0.000 1.071 154 G CA 0.022 44.939 45.100 -0.305 0.000 0.806 154 G HN 0.310 nan 8.290 nan 0.000 0.538 155 F N 0.017 120.033 119.950 0.110 0.000 2.838 155 F HA 0.452 4.979 4.527 -0.001 0.000 0.329 155 F C 0.461 176.275 175.800 0.023 0.000 1.116 155 F CA -0.907 57.132 58.000 0.064 0.000 1.155 155 F CB 0.530 39.582 39.000 0.086 0.000 1.106 155 F HN -0.081 nan 8.300 nan 0.000 0.538 156 L N 2.164 123.344 121.223 -0.071 0.000 2.513 156 L HA 0.476 4.816 4.340 -0.001 0.000 0.272 156 L C 0.158 176.961 176.870 -0.112 0.000 1.187 156 L CA 0.040 54.735 54.840 -0.242 0.000 0.895 156 L CB 0.503 42.162 42.059 -0.667 0.000 1.147 156 L HN 0.143 nan 8.230 nan 0.000 0.483 157 A N 7.142 129.954 122.820 -0.012 0.000 2.360 157 A HA 0.532 4.851 4.320 -0.001 0.000 0.309 157 A C -0.638 176.953 177.584 0.012 0.000 1.311 157 A CA -0.501 51.545 52.037 0.015 0.000 0.805 157 A CB 0.404 19.450 19.000 0.077 0.000 1.144 157 A HN 0.739 nan 8.150 nan 0.000 0.486 158 L N 3.433 124.645 121.223 -0.017 0.000 2.475 158 L HA 0.207 4.547 4.340 -0.001 0.000 0.253 158 L C 0.301 177.205 176.870 0.057 0.000 1.137 158 L CA -0.722 54.119 54.840 0.002 0.000 1.058 158 L CB -0.196 41.833 42.059 -0.050 0.000 1.382 158 L HN 0.850 nan 8.230 nan 0.000 0.416 159 H N 1.904 120.970 119.070 -0.007 0.000 3.216 159 H HA 0.186 4.741 4.556 -0.001 0.000 0.283 159 H C 1.101 176.434 175.328 0.007 0.000 0.921 159 H CA 1.575 57.628 56.048 0.008 0.000 1.419 159 H CB 0.412 30.183 29.762 0.016 0.000 1.460 159 H HN 0.704 nan 8.280 nan 0.000 0.553 160 G N 2.813 111.438 108.800 -0.291 0.000 2.545 160 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.195 160 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.195 160 G C 0.185 175.018 174.900 -0.112 0.000 1.009 160 G CA 0.017 44.987 45.100 -0.216 0.000 0.703 160 G HN 0.976 nan 8.290 nan 0.000 0.479 161 S N 0.018 115.677 115.700 -0.069 0.000 2.687 161 S HA 0.722 5.191 4.470 -0.001 0.000 0.283 161 S C 0.580 175.160 174.600 -0.033 0.000 1.170 161 S CA -0.289 57.890 58.200 -0.035 0.000 1.008 161 S CB 2.109 65.300 63.200 -0.016 0.000 1.026 161 S HN 0.060 nan 8.310 nan 0.000 0.541 162 Q N -0.183 119.610 119.800 -0.012 0.000 2.281 162 Q HA 0.200 4.539 4.340 -0.001 0.000 0.215 162 Q C 0.923 176.938 176.000 0.025 0.000 0.867 162 Q CA 0.223 56.026 55.803 0.000 0.000 0.940 162 Q CB 0.199 28.937 28.738 0.001 0.000 1.111 162 Q HN 0.717 nan 8.270 nan 0.000 0.513 163 E N 0.400 120.619 120.200 0.032 0.000 2.230 163 E HA 0.071 4.420 4.350 -0.001 0.000 0.192 163 E C 0.112 176.771 176.600 0.099 0.000 0.987 163 E CA 0.400 56.841 56.400 0.068 0.000 0.841 163 E CB 0.579 30.321 29.700 0.071 0.000 0.783 163 E HN 0.117 nan 8.360 nan 0.000 0.481 164 A N 1.497 124.342 122.820 0.042 0.000 3.158 164 A HA 0.280 4.599 4.320 -0.001 0.000 0.302 164 A C -2.184 175.396 177.584 -0.006 0.000 1.162 164 A CA -0.840 51.201 52.037 0.007 0.000 0.824 164 A CB 0.783 19.693 19.000 -0.150 0.000 1.322 164 A HN -0.135 nan 8.150 nan 0.000 0.510 165 P HA 0.186 nan 4.420 nan 0.000 0.227 165 P C 0.908 178.248 177.300 0.067 0.000 1.161 165 P CA 1.648 64.770 63.100 0.036 0.000 0.788 165 P CB 0.312 32.034 31.700 0.036 0.000 0.822 166 G N 0.741 109.562 108.800 0.035 0.000 2.707 166 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.686 166 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.686 166 G C -0.057 174.851 174.900 0.012 0.000 1.315 166 G CA -0.241 44.882 45.100 0.039 0.000 0.832 166 G HN 0.128 nan 8.290 nan 0.000 0.573 167 N N -2.511 116.192 118.700 0.005 0.000 2.815 167 N HA -0.287 4.453 4.740 -0.001 0.000 0.247 167 N C 1.983 177.361 175.510 -0.220 0.000 1.030 167 N CA 2.624 55.611 53.050 -0.105 0.000 0.881 167 N CB -1.566 36.807 38.487 -0.191 0.000 1.134 167 N HN 1.977 nan 8.380 nan 0.000 0.582 168 V N -2.375 117.415 119.914 -0.207 0.000 2.594 168 V HA -0.011 4.108 4.120 -0.001 0.000 0.253 168 V C 2.184 178.152 176.094 -0.210 0.000 1.069 168 V CA 2.394 64.608 62.300 -0.143 0.000 1.082 168 V CB -0.845 30.943 31.823 -0.059 0.000 0.680 168 V HN 0.298 nan 8.190 nan 0.000 0.469 169 G N -0.211 108.252 108.800 -0.562 0.000 2.484 169 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.218 169 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.218 169 G C 1.484 176.340 174.900 -0.074 0.000 1.130 169 G CA 0.795 45.658 45.100 -0.395 0.000 0.784 169 G HN 0.537 nan 8.290 nan 0.000 0.543 170 L N -0.252 120.896 121.223 -0.124 0.000 2.209 170 L HA 0.202 4.542 4.340 -0.001 0.000 0.207 170 L C 2.618 179.585 176.870 0.163 0.000 1.094 170 L CA 0.250 55.030 54.840 -0.100 0.000 0.790 170 L CB -0.116 41.522 42.059 -0.702 0.000 0.932 170 L HN 0.185 nan 8.230 nan 0.000 0.447 171 L N -0.731 120.565 121.223 0.123 0.000 2.240 171 L HA -0.135 4.205 4.340 -0.001 0.000 0.211 171 L C 1.890 178.836 176.870 0.127 0.000 1.106 171 L CA 0.560 55.516 54.840 0.194 0.000 0.793 171 L CB -0.453 41.695 42.059 0.148 0.000 0.927 171 L HN 0.216 nan 8.230 nan 0.000 0.446 172 D N 0.021 120.495 120.400 0.124 0.000 2.144 172 D HA -0.168 4.472 4.640 -0.001 0.000 0.200 172 D C 2.282 178.604 176.300 0.037 0.000 0.978 172 D CA 1.050 55.170 54.000 0.200 0.000 0.833 172 D CB -0.006 40.980 40.800 0.310 0.000 0.961 172 D HN 0.381 nan 8.370 nan 0.000 0.470 173 Q N -0.014 119.799 119.800 0.021 0.000 2.083 173 Q HA -0.031 4.309 4.340 -0.001 0.000 0.198 173 Q C 2.248 178.112 176.000 -0.226 0.000 0.969 173 Q CA 0.633 56.372 55.803 -0.107 0.000 0.838 173 Q CB 0.084 28.817 28.738 -0.008 0.000 0.900 173 Q HN 0.159 nan 8.270 nan 0.000 0.436 174 R N 0.638 121.071 120.500 -0.112 0.000 2.083 174 R HA -0.166 4.174 4.340 -0.001 0.000 0.237 174 R C 2.268 178.484 176.300 -0.139 0.000 1.137 174 R CA 1.666 57.675 56.100 -0.151 0.000 0.951 174 R CB -0.182 30.134 30.300 0.028 0.000 0.851 174 R HN 0.226 nan 8.270 nan 0.000 0.434 175 M N -0.100 119.436 119.600 -0.107 0.000 2.202 175 M HA -0.147 4.333 4.480 -0.001 0.000 0.262 175 M C 1.859 177.990 176.300 -0.282 0.000 1.063 175 M CA 2.139 57.379 55.300 -0.100 0.000 1.097 175 M CB 0.022 32.639 32.600 0.027 0.000 1.382 175 M HN 0.243 nan 8.290 nan 0.000 0.413 176 A N -0.593 121.823 122.820 -0.673 0.000 2.072 176 A HA 0.066 4.385 4.320 -0.001 0.000 0.216 176 A C 2.003 179.454 177.584 -0.221 0.000 1.156 176 A CA 0.732 52.294 52.037 -0.791 0.000 0.701 176 A CB -0.696 17.601 19.000 -1.172 0.000 0.816 176 A HN 0.559 nan 8.150 nan 0.000 0.458 177 L N -1.168 119.946 121.223 -0.182 0.000 2.109 177 L HA -0.163 4.177 4.340 -0.001 0.000 0.207 177 L C 2.790 179.691 176.870 0.052 0.000 1.086 177 L CA 1.485 56.293 54.840 -0.054 0.000 0.760 177 L CB -0.288 41.698 42.059 -0.122 0.000 0.910 177 L HN 0.454 nan 8.230 nan 0.000 0.437 178 Q N -0.312 119.505 119.800 0.027 0.000 2.016 178 Q HA -0.266 4.074 4.340 -0.001 0.000 0.200 178 Q C 1.975 178.084 176.000 0.182 0.000 0.978 178 Q CA 2.025 57.878 55.803 0.084 0.000 0.833 178 Q CB -0.544 28.226 28.738 0.053 0.000 0.895 178 Q HN 0.452 nan 8.270 nan 0.000 0.427 179 W N -0.655 120.651 121.300 0.011 0.000 2.350 179 W HA -0.162 4.498 4.660 -0.001 0.000 0.289 179 W C 1.695 178.260 176.519 0.076 0.000 1.215 179 W CA 1.475 58.860 57.345 0.067 0.000 1.236 179 W CB 0.065 29.582 29.460 0.095 0.000 1.130 179 W HN 0.030 nan 8.180 nan 0.000 0.541 180 V N -0.473 119.674 119.914 0.389 0.000 2.453 180 V HA -0.322 3.798 4.120 -0.001 0.000 0.247 180 V C 2.450 178.598 176.094 0.090 0.000 1.048 180 V CA 2.203 64.663 62.300 0.267 0.000 1.049 180 V CB -1.188 30.764 31.823 0.215 0.000 0.672 180 V HN 0.314 nan 8.190 nan 0.000 0.457 181 H N 0.590 119.667 119.070 0.011 0.000 2.267 181 H HA -0.188 4.368 4.556 -0.001 0.000 0.297 181 H C 2.106 177.373 175.328 -0.102 0.000 1.080 181 H CA 2.226 58.253 56.048 -0.036 0.000 1.278 181 H CB 0.031 29.779 29.762 -0.025 0.000 1.365 181 H HN 0.396 nan 8.280 nan 0.000 0.489 182 D N -0.081 120.282 120.400 -0.061 0.000 2.144 182 D HA -0.094 4.545 4.640 -0.001 0.000 0.200 182 D C 1.432 177.564 176.300 -0.280 0.000 0.978 182 D CA 0.931 54.833 54.000 -0.163 0.000 0.833 182 D CB -0.151 40.588 40.800 -0.102 0.000 0.961 182 D HN 0.496 nan 8.370 nan 0.000 0.470 183 N N -0.245 118.217 118.700 -0.396 0.000 2.210 183 N HA 0.027 4.767 4.740 -0.001 0.000 0.203 183 N C 1.463 176.870 175.510 -0.172 0.000 1.175 183 N CA -0.168 52.665 53.050 -0.361 0.000 0.894 183 N CB 0.955 38.896 38.487 -0.911 0.000 1.041 183 N HN 0.025 nan 8.380 nan 0.000 0.506 184 I N 3.003 123.496 120.570 -0.128 0.000 2.850 184 I HA -0.235 3.934 4.170 -0.001 0.000 0.266 184 I C 2.470 178.569 176.117 -0.031 0.000 1.257 184 I CA 1.202 62.535 61.300 0.054 0.000 1.465 184 I CB -0.183 37.832 38.000 0.026 0.000 1.091 184 I HN 0.190 nan 8.210 nan 0.000 0.467 185 Q N -1.052 118.525 119.800 -0.371 0.000 2.230 185 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 185 Q C 1.431 177.136 176.000 -0.491 0.000 0.963 185 Q CA 1.355 56.860 55.803 -0.497 0.000 0.866 185 Q CB -0.642 27.662 28.738 -0.724 0.000 0.931 185 Q HN 0.424 nan 8.270 nan 0.000 0.452 186 F N -0.664 119.225 119.950 -0.102 0.000 2.811 186 F HA 0.225 4.752 4.527 -0.001 0.000 0.301 186 F C 0.540 176.099 175.800 -0.402 0.000 1.151 186 F CA -0.044 57.791 58.000 -0.275 0.000 1.412 186 F CB 0.094 38.839 39.000 -0.424 0.000 1.113 186 F HN -0.002 nan 8.300 nan 0.000 0.579 187 F N -1.054 118.879 119.950 -0.028 0.000 2.706 187 F HA 0.445 4.971 4.527 -0.001 0.000 0.313 187 F C 1.743 177.538 175.800 -0.008 0.000 1.096 187 F CA 0.332 58.298 58.000 -0.057 0.000 1.219 187 F CB 0.629 39.583 39.000 -0.077 0.000 1.051 187 F HN -0.017 nan 8.300 nan 0.000 0.568 188 G N 0.232 109.111 108.800 0.131 0.000 2.184 188 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.206 188 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.206 188 G C 0.508 175.442 174.900 0.057 0.000 0.995 188 G CA -0.402 44.746 45.100 0.081 0.000 0.651 188 G HN 0.652 nan 8.290 nan 0.000 0.511 189 G N -0.207 108.630 108.800 0.061 0.000 2.400 189 G HA2 0.504 4.464 3.960 -0.001 0.000 0.301 189 G HA3 0.504 4.464 3.960 -0.001 0.000 0.301 189 G C -0.902 173.977 174.900 -0.036 0.000 1.154 189 G CA 0.277 45.394 45.100 0.029 0.000 0.852 189 G HN 0.248 nan 8.290 nan 0.000 0.511 190 D N 1.701 122.079 120.400 -0.036 0.000 2.396 190 D HA 0.254 4.894 4.640 -0.001 0.000 0.225 190 D C -1.160 175.096 176.300 -0.072 0.000 1.121 190 D CA -2.466 51.493 54.000 -0.069 0.000 0.853 190 D CB 1.781 42.550 40.800 -0.051 0.000 1.043 190 D HN 0.091 nan 8.370 nan 0.000 0.500 191 P HA -0.077 nan 4.420 nan 0.000 0.239 191 P C 0.343 177.597 177.300 -0.077 0.000 1.184 191 P CA 0.394 63.408 63.100 -0.143 0.000 0.760 191 P CB 0.345 31.831 31.700 -0.358 0.000 0.884 192 K N -0.657 119.705 120.400 -0.063 0.000 2.373 192 K HA 0.188 4.507 4.320 -0.001 0.000 0.202 192 K C 0.334 176.923 176.600 -0.019 0.000 1.025 192 K CA 0.366 56.635 56.287 -0.029 0.000 1.115 192 K CB 0.361 32.833 32.500 -0.047 0.000 0.858 192 K HN 0.049 nan 8.250 nan 0.000 0.525 193 T N 0.797 115.343 114.554 -0.012 0.000 3.866 193 T HA 0.114 4.464 4.350 -0.001 0.000 0.241 193 T C -0.440 174.269 174.700 0.015 0.000 1.017 193 T CA -0.471 61.621 62.100 -0.014 0.000 1.300 193 T CB 0.519 69.364 68.868 -0.038 0.000 0.968 193 T HN -0.024 nan 8.240 nan 0.000 0.595 194 V N 0.027 119.980 119.914 0.065 0.000 2.394 194 V HA 0.766 4.885 4.120 -0.001 0.000 0.282 194 V C -0.383 175.802 176.094 0.151 0.000 1.031 194 V CA -0.139 62.225 62.300 0.108 0.000 0.881 194 V CB 1.456 33.365 31.823 0.144 0.000 0.982 194 V HN 0.324 nan 8.190 nan 0.000 0.451 195 T N 8.373 122.996 114.554 0.115 0.000 2.758 195 T HA 0.566 4.916 4.350 -0.001 0.000 0.285 195 T C 0.054 174.850 174.700 0.160 0.000 0.981 195 T CA -0.134 62.045 62.100 0.132 0.000 0.965 195 T CB 0.641 69.532 68.868 0.038 0.000 0.927 195 T HN 0.882 nan 8.240 nan 0.000 0.448 196 I N 1.868 122.515 120.570 0.128 0.000 2.365 196 I HA 0.773 4.942 4.170 -0.001 0.000 0.291 196 I C -0.652 175.614 176.117 0.248 0.000 1.004 196 I CA -0.910 60.449 61.300 0.099 0.000 1.311 196 I CB 0.512 38.370 38.000 -0.238 0.000 1.401 196 I HN 0.408 nan 8.210 nan 0.000 0.491 197 F N 3.380 123.346 119.950 0.027 0.000 2.576 197 F HA 1.019 5.545 4.527 -0.001 0.000 0.313 197 F C -0.300 175.412 175.800 -0.146 0.000 1.078 197 F CA -1.841 56.189 58.000 0.051 0.000 0.921 197 F CB 1.304 40.445 39.000 0.235 0.000 1.232 197 F HN 0.784 nan 8.300 nan 0.000 0.459 198 G N 0.975 109.606 108.800 -0.281 0.000 2.660 198 G HA2 0.495 4.455 3.960 -0.001 0.000 0.290 198 G HA3 0.495 4.455 3.960 -0.001 0.000 0.290 198 G C -2.439 172.223 174.900 -0.397 0.000 1.432 198 G CA -0.807 43.817 45.100 -0.794 0.000 0.807 198 G HN 0.856 nan 8.290 nan 0.000 0.485 199 E N 0.364 120.303 120.200 -0.436 0.000 2.222 199 E HA 0.596 4.945 4.350 -0.001 0.000 0.267 199 E C 0.594 177.109 176.600 -0.141 0.000 0.884 199 E CA 0.193 56.533 56.400 -0.099 0.000 0.764 199 E CB 2.059 31.830 29.700 0.118 0.000 1.169 199 E HN 0.724 nan 8.360 nan 0.000 0.413 200 S N 2.882 118.554 115.700 -0.047 0.000 4.140 200 S HA -0.390 4.079 4.470 -0.001 0.000 0.618 200 S C 1.423 176.074 174.600 0.084 0.000 1.896 200 S CA 1.888 60.136 58.200 0.081 0.000 4.240 200 S CB -1.589 61.600 63.200 -0.018 0.000 0.208 200 S HN 0.922 nan 8.310 nan 0.000 0.487 201 A N 1.026 123.768 122.820 -0.130 0.000 2.070 201 A HA 0.212 4.532 4.320 -0.001 0.000 0.220 201 A C 2.266 179.550 177.584 -0.500 0.000 1.159 201 A CA 2.254 53.967 52.037 -0.540 0.000 0.656 201 A CB -1.306 17.044 19.000 -1.082 0.000 0.800 201 A HN 1.415 nan 8.150 nan 0.000 0.453 202 G N -0.778 107.828 108.800 -0.323 0.000 2.426 202 G HA2 0.161 4.121 3.960 -0.001 0.000 0.214 202 G HA3 0.161 4.121 3.960 -0.001 0.000 0.214 202 G C 1.432 176.151 174.900 -0.302 0.000 1.156 202 G CA 0.959 45.842 45.100 -0.363 0.000 0.802 202 G HN 0.619 nan 8.290 nan 0.000 0.534 203 G N 0.847 109.516 108.800 -0.219 0.000 2.448 203 G HA2 0.163 4.123 3.960 -0.001 0.000 0.218 203 G HA3 0.163 4.123 3.960 -0.001 0.000 0.218 203 G C 1.883 176.671 174.900 -0.186 0.000 1.135 203 G CA 1.362 46.368 45.100 -0.158 0.000 0.784 203 G HN 0.573 nan 8.290 nan 0.000 0.543 204 A N 0.729 123.445 122.820 -0.173 0.000 1.898 204 A HA 0.127 4.446 4.320 -0.001 0.000 0.214 204 A C 2.670 180.168 177.584 -0.143 0.000 1.183 204 A CA 1.942 53.857 52.037 -0.203 0.000 0.622 204 A CB -0.538 18.346 19.000 -0.192 0.000 0.824 204 A HN 0.262 nan 8.150 nan 0.000 0.444 205 S N -0.192 115.437 115.700 -0.117 0.000 2.353 205 S HA -0.168 4.302 4.470 -0.001 0.000 0.222 205 S C 1.946 176.424 174.600 -0.202 0.000 1.035 205 S CA 1.531 59.644 58.200 -0.145 0.000 1.025 205 S CB -0.608 62.477 63.200 -0.192 0.000 0.902 205 S HN 0.331 nan 8.310 nan 0.000 0.440 206 V N 1.601 121.421 119.914 -0.158 0.000 2.250 206 V HA -0.267 3.853 4.120 -0.001 0.000 0.250 206 V C 2.578 178.613 176.094 -0.099 0.000 1.060 206 V CA 2.173 64.395 62.300 -0.129 0.000 1.030 206 V CB -1.489 30.252 31.823 -0.136 0.000 0.643 206 V HN 0.630 nan 8.190 nan 0.000 0.445 207 G N -1.443 107.260 108.800 -0.162 0.000 2.470 207 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.220 207 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.220 207 G C 1.507 176.407 174.900 -0.001 0.000 1.121 207 G CA 0.867 45.870 45.100 -0.162 0.000 0.766 207 G HN 0.496 nan 8.290 nan 0.000 0.553 208 M N -0.429 119.166 119.600 -0.009 0.000 2.388 208 M HA 0.104 4.584 4.480 -0.001 0.000 0.265 208 M C 2.085 178.459 176.300 0.123 0.000 1.088 208 M CA 0.615 56.021 55.300 0.177 0.000 1.134 208 M CB -0.108 32.629 32.600 0.230 0.000 1.384 208 M HN 0.120 nan 8.290 nan 0.000 0.447 209 H N 0.164 119.341 119.070 0.178 0.000 2.495 209 H HA 0.096 4.652 4.556 -0.001 0.000 0.287 209 H C 2.001 177.533 175.328 0.340 0.000 1.033 209 H CA 1.091 57.238 56.048 0.165 0.000 1.307 209 H CB -0.069 29.692 29.762 -0.002 0.000 1.401 209 H HN 0.399 nan 8.280 nan 0.000 0.555 210 I N 0.210 121.051 120.570 0.452 0.000 2.676 210 I HA -0.166 4.003 4.170 -0.001 0.000 0.259 210 I C 1.819 178.177 176.117 0.402 0.000 1.194 210 I CA 0.701 62.308 61.300 0.512 0.000 1.473 210 I CB 0.140 38.409 38.000 0.449 0.000 1.096 210 I HN 0.137 nan 8.210 nan 0.000 0.443 211 L N -1.004 120.417 121.223 0.330 0.000 2.362 211 L HA 0.090 4.430 4.340 -0.001 0.000 0.204 211 L C 1.428 178.399 176.870 0.168 0.000 1.060 211 L CA 0.101 55.131 54.840 0.316 0.000 0.827 211 L CB -0.089 42.203 42.059 0.388 0.000 1.027 211 L HN -0.011 nan 8.230 nan 0.000 0.474 212 S N 0.574 116.288 115.700 0.023 0.000 2.515 212 S HA 0.070 4.539 4.470 -0.001 0.000 0.285 212 S C -1.508 172.977 174.600 -0.191 0.000 1.265 212 S CA -1.226 56.810 58.200 -0.273 0.000 1.079 212 S CB 0.855 63.511 63.200 -0.906 0.000 0.877 212 S HN -0.090 nan 8.310 nan 0.000 0.493 213 P HA -0.106 nan 4.420 nan 0.000 0.216 213 P C 1.351 178.563 177.300 -0.146 0.000 1.157 213 P CA 1.433 64.464 63.100 -0.116 0.000 0.880 213 P CB -0.139 31.500 31.700 -0.102 0.000 0.791 214 G N -1.955 106.716 108.800 -0.215 0.000 2.807 214 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.207 214 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.207 214 G C 1.190 175.990 174.900 -0.167 0.000 1.151 214 G CA 0.543 45.527 45.100 -0.192 0.000 0.800 214 G HN 0.237 nan 8.290 nan 0.000 0.523 215 S N -0.727 114.899 115.700 -0.122 0.000 2.619 215 S HA 0.095 4.565 4.470 -0.001 0.000 0.238 215 S C 2.241 176.885 174.600 0.072 0.000 1.068 215 S CA -0.499 57.710 58.200 0.015 0.000 0.926 215 S CB 0.221 63.532 63.200 0.185 0.000 0.864 215 S HN 0.380 nan 8.310 nan 0.000 0.493 216 R N 2.168 122.665 120.500 -0.006 0.000 2.140 216 R HA -0.172 4.167 4.340 -0.001 0.000 0.250 216 R C 0.717 176.766 176.300 -0.419 0.000 1.150 216 R CA 1.794 57.780 56.100 -0.190 0.000 0.966 216 R CB -0.893 29.347 30.300 -0.100 0.000 0.869 216 R HN 0.342 nan 8.270 nan 0.000 0.445 217 D N 0.825 121.068 120.400 -0.261 0.000 2.312 217 D HA -0.023 4.616 4.640 -0.001 0.000 0.211 217 D C 1.743 177.873 176.300 -0.282 0.000 0.964 217 D CA 0.692 54.535 54.000 -0.262 0.000 0.877 217 D CB -0.070 40.605 40.800 -0.208 0.000 0.924 217 D HN 0.249 nan 8.370 nan 0.000 0.515 218 L N -0.133 120.958 121.223 -0.221 0.000 2.599 218 L HA 0.120 4.460 4.340 -0.001 0.000 0.230 218 L C -0.030 176.939 176.870 0.166 0.000 1.141 218 L CA -0.018 54.774 54.840 -0.080 0.000 0.877 218 L CB -0.423 41.632 42.059 -0.008 0.000 1.009 218 L HN -0.040 nan 8.230 nan 0.000 0.447 219 F N -4.372 115.580 119.950 0.003 0.000 2.741 219 F HA 0.548 5.074 4.527 -0.001 0.000 0.313 219 F C 0.312 176.136 175.800 0.041 0.000 1.153 219 F CA -1.366 56.657 58.000 0.038 0.000 0.931 219 F CB 1.170 40.192 39.000 0.037 0.000 1.335 219 F HN -0.405 nan 8.300 nan 0.000 0.460 220 R N 0.685 121.251 120.500 0.109 0.000 2.084 220 R HA 0.490 4.830 4.340 -0.001 0.000 0.209 220 R C 0.005 176.367 176.300 0.104 0.000 1.173 220 R CA 0.808 56.919 56.100 0.018 0.000 1.053 220 R CB 0.286 30.593 30.300 0.013 0.000 0.948 220 R HN 0.759 nan 8.270 nan 0.000 0.460 221 R N -0.943 119.680 120.500 0.205 0.000 2.919 221 R HA 0.755 5.095 4.340 -0.001 0.000 0.260 221 R C -1.445 175.079 176.300 0.373 0.000 1.067 221 R CA -0.697 55.538 56.100 0.224 0.000 1.003 221 R CB 2.218 32.495 30.300 -0.039 0.000 1.192 221 R HN 0.273 nan 8.270 nan 0.000 0.488 222 A N 1.611 124.660 122.820 0.381 0.000 2.486 222 A HA 0.632 4.951 4.320 -0.001 0.000 0.300 222 A C -1.083 176.599 177.584 0.164 0.000 1.048 222 A CA -0.628 51.558 52.037 0.250 0.000 0.696 222 A CB 1.157 20.273 19.000 0.192 0.000 1.278 222 A HN 0.588 nan 8.150 nan 0.000 0.405 223 I N 2.255 122.882 120.570 0.094 0.000 2.418 223 I HA 0.339 4.509 4.170 -0.001 0.000 0.287 223 I C -1.366 174.789 176.117 0.064 0.000 1.008 223 I CA -0.565 60.709 61.300 -0.044 0.000 1.104 223 I CB 1.721 39.657 38.000 -0.107 0.000 1.264 223 I HN 0.443 nan 8.210 nan 0.000 0.438 224 L N 6.963 128.194 121.223 0.014 0.000 2.298 224 L HA 0.428 4.768 4.340 -0.001 0.000 0.284 224 L C -0.358 176.574 176.870 0.103 0.000 1.013 224 L CA -0.189 54.660 54.840 0.014 0.000 0.824 224 L CB 1.336 43.346 42.059 -0.082 0.000 1.221 224 L HN 0.497 nan 8.230 nan 0.000 0.418 225 Q N 1.896 121.792 119.800 0.159 0.000 2.372 225 Q HA 0.470 4.809 4.340 -0.001 0.000 0.259 225 Q C 0.097 176.178 176.000 0.135 0.000 0.993 225 Q CA -0.474 55.483 55.803 0.257 0.000 0.854 225 Q CB 1.452 30.434 28.738 0.407 0.000 1.231 225 Q HN 0.652 nan 8.270 nan 0.000 0.462 226 S N 1.032 116.803 115.700 0.119 0.000 3.641 226 S HA -0.159 4.310 4.470 -0.001 0.000 0.346 226 S C -0.005 174.703 174.600 0.180 0.000 1.074 226 S CA 0.578 58.865 58.200 0.145 0.000 1.026 226 S CB -1.165 62.130 63.200 0.159 0.000 0.908 226 S HN 0.977 nan 8.310 nan 0.000 0.479 227 G N -0.359 108.485 108.800 0.073 0.000 2.616 227 G HA2 0.632 4.591 3.960 -0.001 0.000 0.294 227 G HA3 0.632 4.591 3.960 -0.001 0.000 0.294 227 G C -1.025 173.773 174.900 -0.170 0.000 1.489 227 G CA 0.175 45.301 45.100 0.043 0.000 0.836 227 G HN 1.172 nan 8.290 nan 0.000 0.527 228 S N 0.666 116.178 115.700 -0.314 0.000 2.550 228 S HA 0.764 5.233 4.470 -0.001 0.000 0.270 228 S C -2.074 172.200 174.600 -0.544 0.000 1.145 228 S CA -0.953 56.921 58.200 -0.543 0.000 0.852 228 S CB 2.945 65.808 63.200 -0.561 0.000 1.119 228 S HN 0.470 nan 8.310 nan 0.000 0.465 229 P HA -0.175 nan 4.420 nan 0.000 0.218 229 P C 0.659 177.716 177.300 -0.405 0.000 1.146 229 P CA 1.494 64.354 63.100 -0.399 0.000 0.813 229 P CB -0.296 31.230 31.700 -0.290 0.000 0.778 230 N N -0.820 117.654 118.700 -0.378 0.000 2.383 230 N HA -0.021 4.719 4.740 -0.001 0.000 0.192 230 N C 0.028 175.283 175.510 -0.425 0.000 1.141 230 N CA -0.193 52.672 53.050 -0.309 0.000 0.851 230 N CB -1.266 37.154 38.487 -0.112 0.000 0.976 230 N HN 0.036 nan 8.380 nan 0.000 0.465 231 C N 2.998 121.923 119.300 -0.625 0.000 2.642 231 C HA 0.105 4.564 4.460 -0.001 0.000 0.420 231 C C -0.243 174.233 174.990 -0.856 0.000 1.349 231 C CA -0.941 57.566 59.018 -0.851 0.000 1.821 231 C CB 1.130 28.070 27.740 -1.332 0.000 2.637 231 C HN 0.362 nan 8.230 nan 0.000 0.605 232 P HA -0.124 nan 4.420 nan 0.000 0.221 232 P C 1.152 178.287 177.300 -0.276 0.000 1.145 232 P CA 1.821 64.660 63.100 -0.434 0.000 0.795 232 P CB -0.089 31.374 31.700 -0.394 0.000 0.775 233 W N -1.406 119.772 121.300 -0.203 0.000 3.211 233 W HA 0.548 5.207 4.660 -0.001 0.000 0.292 233 W C 1.280 177.857 176.519 0.098 0.000 1.268 233 W CA 0.314 57.639 57.345 -0.032 0.000 1.702 233 W CB -1.166 28.318 29.460 0.040 0.000 1.092 233 W HN -0.112 nan 8.180 nan 0.000 0.643 234 A N 1.469 123.970 122.820 -0.533 0.000 2.067 234 A HA 0.100 4.419 4.320 -0.001 0.000 0.217 234 A C 1.170 178.607 177.584 -0.246 0.000 1.156 234 A CA 1.388 53.198 52.037 -0.379 0.000 0.683 234 A CB -0.547 18.015 19.000 -0.730 0.000 0.808 234 A HN 0.241 nan 8.150 nan 0.000 0.455 235 S N -2.032 113.511 115.700 -0.261 0.000 2.625 235 S HA 0.650 5.120 4.470 -0.001 0.000 0.271 235 S C -0.817 173.669 174.600 -0.189 0.000 1.161 235 S CA -0.092 57.947 58.200 -0.267 0.000 0.820 235 S CB 1.347 64.322 63.200 -0.376 0.000 1.137 235 S HN 1.301 nan 8.310 nan 0.000 0.470 236 V N -0.959 118.858 119.914 -0.162 0.000 3.078 236 V HA 0.920 5.040 4.120 -0.001 0.000 0.311 236 V C 0.220 176.244 176.094 -0.117 0.000 1.138 236 V CA -0.489 61.739 62.300 -0.119 0.000 1.007 236 V CB 1.125 32.896 31.823 -0.085 0.000 1.045 236 V HN 1.458 nan 8.190 nan 0.000 0.432 237 S N 0.994 116.633 115.700 -0.102 0.000 2.596 237 S HA 0.285 4.755 4.470 -0.001 0.000 0.260 237 S C 1.341 175.884 174.600 -0.097 0.000 1.336 237 S CA 0.046 58.186 58.200 -0.100 0.000 0.993 237 S CB 1.187 64.338 63.200 -0.083 0.000 0.923 237 S HN 2.086 nan 8.310 nan 0.000 0.567 238 V N -1.450 118.387 119.914 -0.128 0.000 2.515 238 V HA 0.039 4.159 4.120 -0.001 0.000 0.250 238 V C 2.546 178.597 176.094 -0.071 0.000 1.058 238 V CA 1.507 63.722 62.300 -0.142 0.000 1.064 238 V CB -2.016 29.607 31.823 -0.334 0.000 0.675 238 V HN 0.998 nan 8.190 nan 0.000 0.461 239 A N 0.703 123.484 122.820 -0.065 0.000 1.877 239 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 239 A C 2.211 179.772 177.584 -0.040 0.000 1.186 239 A CA 2.063 54.077 52.037 -0.039 0.000 0.620 239 A CB -0.709 18.270 19.000 -0.037 0.000 0.822 239 A HN 0.623 nan 8.150 nan 0.000 0.443 240 E N 0.176 120.344 120.200 -0.053 0.000 2.058 240 E HA -0.081 4.268 4.350 -0.001 0.000 0.194 240 E C 1.996 178.567 176.600 -0.049 0.000 0.997 240 E CA 1.740 58.103 56.400 -0.063 0.000 0.801 240 E CB -0.938 28.718 29.700 -0.074 0.000 0.746 240 E HN 0.391 nan 8.360 nan 0.000 0.450 241 G N 0.305 109.087 108.800 -0.031 0.000 2.432 241 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.219 241 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.219 241 G C 1.779 176.696 174.900 0.028 0.000 1.135 241 G CA 0.846 45.952 45.100 0.011 0.000 0.767 241 G HN 0.296 nan 8.290 nan 0.000 0.550 242 R N 0.118 120.623 120.500 0.008 0.000 2.073 242 R HA 0.061 4.401 4.340 -0.001 0.000 0.229 242 R C 2.575 178.876 176.300 0.001 0.000 1.120 242 R CA 1.010 57.116 56.100 0.010 0.000 0.967 242 R CB -0.334 29.972 30.300 0.011 0.000 0.862 242 R HN 0.267 nan 8.270 nan 0.000 0.436 243 R N 0.810 121.301 120.500 -0.015 0.000 2.097 243 R HA -0.170 4.169 4.340 -0.001 0.000 0.236 243 R C 2.122 178.408 176.300 -0.023 0.000 1.135 243 R CA 2.096 58.178 56.100 -0.029 0.000 0.934 243 R CB -0.217 30.051 30.300 -0.054 0.000 0.846 243 R HN 0.278 nan 8.270 nan 0.000 0.431 244 R N -0.143 120.339 120.500 -0.029 0.000 2.152 244 R HA -0.087 4.253 4.340 -0.001 0.000 0.232 244 R C 2.294 178.663 176.300 0.114 0.000 1.117 244 R CA 1.185 57.273 56.100 -0.020 0.000 0.981 244 R CB -0.329 29.895 30.300 -0.127 0.000 0.870 244 R HN 0.297 nan 8.270 nan 0.000 0.451 245 A N 0.912 123.800 122.820 0.113 0.000 1.873 245 A HA -0.075 4.245 4.320 -0.001 0.000 0.215 245 A C 2.390 179.982 177.584 0.014 0.000 1.186 245 A CA 1.135 53.216 52.037 0.073 0.000 0.616 245 A CB -0.441 18.552 19.000 -0.011 0.000 0.823 245 A HN 0.092 nan 8.150 nan 0.000 0.442 246 V N -0.073 119.844 119.914 0.005 0.000 2.261 246 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 246 V C 2.598 178.696 176.094 0.006 0.000 1.047 246 V CA 2.372 64.669 62.300 -0.005 0.000 1.015 246 V CB -0.770 31.049 31.823 -0.007 0.000 0.642 246 V HN 0.578 nan 8.190 nan 0.000 0.446 247 E N 0.039 120.245 120.200 0.010 0.000 2.130 247 E HA -0.251 4.098 4.350 -0.001 0.000 0.196 247 E C 1.936 178.557 176.600 0.034 0.000 0.998 247 E CA 1.353 57.760 56.400 0.011 0.000 0.806 247 E CB -0.536 29.159 29.700 -0.008 0.000 0.738 247 E HN 0.473 nan 8.360 nan 0.000 0.459 248 L N -0.507 120.758 121.223 0.069 0.000 2.083 248 L HA -0.037 4.303 4.340 -0.001 0.000 0.209 248 L C 2.124 179.018 176.870 0.039 0.000 1.083 248 L CA 2.188 57.084 54.840 0.092 0.000 0.752 248 L CB -0.834 41.318 42.059 0.155 0.000 0.899 248 L HN 0.230 nan 8.230 nan 0.000 0.433 249 G N -1.011 107.796 108.800 0.013 0.000 2.440 249 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.218 249 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.218 249 G C 1.771 176.677 174.900 0.009 0.000 1.154 249 G CA 0.843 45.943 45.100 -0.000 0.000 0.767 249 G HN 0.353 nan 8.290 nan 0.000 0.552 250 R N 0.388 120.895 120.500 0.011 0.000 2.080 250 R HA -0.063 4.277 4.340 -0.001 0.000 0.236 250 R C 2.353 178.665 176.300 0.020 0.000 1.137 250 R CA 1.488 57.596 56.100 0.012 0.000 0.943 250 R CB -0.377 29.929 30.300 0.010 0.000 0.846 250 R HN 0.342 nan 8.270 nan 0.000 0.431 251 N N 0.233 118.950 118.700 0.029 0.000 2.513 251 N HA -0.162 4.578 4.740 -0.001 0.000 0.187 251 N C 0.859 176.392 175.510 0.039 0.000 1.056 251 N CA 0.892 53.965 53.050 0.038 0.000 0.907 251 N CB 0.106 38.625 38.487 0.053 0.000 0.954 251 N HN 0.304 nan 8.380 nan 0.000 0.445 252 L N 0.009 121.250 121.223 0.031 0.000 2.906 252 L HA 0.194 4.533 4.340 -0.001 0.000 0.255 252 L C -0.322 176.558 176.870 0.017 0.000 1.166 252 L CA -0.186 54.671 54.840 0.028 0.000 0.977 252 L CB 0.168 42.245 42.059 0.030 0.000 1.313 252 L HN -0.037 nan 8.230 nan 0.000 0.549 253 N N 0.009 118.717 118.700 0.014 0.000 2.727 253 N HA -0.167 4.573 4.740 -0.001 0.000 0.251 253 N C -0.467 175.042 175.510 -0.001 0.000 1.040 253 N CA 0.514 53.569 53.050 0.008 0.000 0.712 253 N CB -1.873 36.620 38.487 0.010 0.000 0.912 253 N HN 0.235 nan 8.380 nan 0.000 0.545 254 c N 0.778 119.376 118.600 -0.004 0.000 2.364 254 c HA 0.317 4.886 4.570 -0.001 0.000 0.356 254 c C 1.307 175.390 174.090 -0.010 0.000 1.201 254 c CA -1.087 55.233 56.329 -0.016 0.000 2.227 254 c CB 1.232 43.732 42.510 -0.016 0.000 2.387 254 c HN 0.446 nan 8.230 nan 0.000 0.546 255 N N 1.783 120.475 118.700 -0.014 0.000 2.447 255 N HA 0.070 4.809 4.740 -0.001 0.000 0.263 255 N C -0.173 175.337 175.510 -0.000 0.000 1.226 255 N CA 0.424 53.473 53.050 -0.003 0.000 0.906 255 N CB 0.440 38.928 38.487 0.003 0.000 1.060 255 N HN 0.654 nan 8.380 nan 0.000 0.468 256 L N 2.609 123.833 121.223 0.002 0.000 2.965 256 L HA 0.121 4.461 4.340 -0.001 0.000 0.254 256 L C 1.974 178.847 176.870 0.005 0.000 1.220 256 L CA -0.039 54.802 54.840 0.001 0.000 1.023 256 L CB -0.571 41.488 42.059 -0.000 0.000 1.355 256 L HN 0.665 nan 8.230 nan 0.000 0.545 257 N N 0.235 118.940 118.700 0.009 0.000 2.457 257 N HA -0.020 4.720 4.740 -0.001 0.000 0.180 257 N C 0.762 176.279 175.510 0.012 0.000 1.050 257 N CA 1.013 54.070 53.050 0.010 0.000 0.906 257 N CB 0.243 38.738 38.487 0.013 0.000 0.968 257 N HN 0.429 nan 8.380 nan 0.000 0.445 258 S N -2.567 113.141 115.700 0.013 0.000 2.567 258 S HA 0.377 4.847 4.470 -0.001 0.000 0.270 258 S C -0.851 173.757 174.600 0.013 0.000 1.152 258 S CA -0.396 57.813 58.200 0.014 0.000 0.835 258 S CB 1.170 64.382 63.200 0.020 0.000 1.115 258 S HN 0.006 nan 8.310 nan 0.000 0.459 259 D N 1.268 121.674 120.400 0.009 0.000 2.149 259 D HA -0.068 4.572 4.640 -0.001 0.000 0.198 259 D C 1.497 177.809 176.300 0.019 0.000 0.990 259 D CA 1.904 55.905 54.000 0.002 0.000 0.839 259 D CB -0.146 40.652 40.800 -0.003 0.000 0.948 259 D HN 0.720 nan 8.370 nan 0.000 0.460 260 E N 0.741 120.961 120.200 0.033 0.000 2.047 260 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 260 E C 2.037 178.694 176.600 0.096 0.000 0.987 260 E CA 0.796 57.231 56.400 0.058 0.000 0.799 260 E CB -0.160 29.568 29.700 0.047 0.000 0.752 260 E HN 0.302 nan 8.360 nan 0.000 0.449 261 E N 0.366 120.612 120.200 0.076 0.000 2.077 261 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 261 E C 2.113 178.745 176.600 0.053 0.000 0.989 261 E CA 0.602 57.053 56.400 0.084 0.000 0.800 261 E CB -0.297 29.433 29.700 0.050 0.000 0.746 261 E HN 0.157 nan 8.360 nan 0.000 0.452 262 L N 1.429 122.670 121.223 0.029 0.000 1.970 262 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 262 L C 2.257 179.137 176.870 0.015 0.000 1.071 262 L CA 1.561 56.403 54.840 0.003 0.000 0.751 262 L CB -0.822 41.225 42.059 -0.018 0.000 0.889 262 L HN 0.038 nan 8.230 nan 0.000 0.432 263 I N -0.936 119.656 120.570 0.036 0.000 2.226 263 I HA -0.347 3.822 4.170 -0.001 0.000 0.245 263 I C 2.608 178.850 176.117 0.208 0.000 1.100 263 I CA 1.663 63.015 61.300 0.088 0.000 1.374 263 I CB -0.610 37.449 38.000 0.097 0.000 1.057 263 I HN 0.503 nan 8.210 nan 0.000 0.413 264 H N 0.105 119.221 119.070 0.077 0.000 2.387 264 H HA -0.261 4.295 4.556 -0.001 0.000 0.299 264 H C 2.522 177.898 175.328 0.080 0.000 1.090 264 H CA 1.782 57.877 56.048 0.078 0.000 1.332 264 H CB 0.118 29.911 29.762 0.051 0.000 1.386 264 H HN 0.537 nan 8.280 nan 0.000 0.516 265 c N 1.029 119.559 118.600 -0.118 0.000 2.432 265 c HA -0.091 4.479 4.570 -0.001 0.000 0.277 265 c C 2.796 176.870 174.090 -0.026 0.000 1.249 265 c CA 0.715 56.940 56.329 -0.173 0.000 1.725 265 c CB -1.362 41.089 42.510 -0.099 0.000 2.028 265 c HN 0.619 nan 8.230 nan 0.000 0.477 266 L N 0.262 121.527 121.223 0.070 0.000 2.265 266 L HA -0.086 4.254 4.340 -0.001 0.000 0.215 266 L C 2.872 179.886 176.870 0.241 0.000 1.117 266 L CA 1.303 56.245 54.840 0.169 0.000 0.782 266 L CB -0.679 41.493 42.059 0.188 0.000 0.914 266 L HN 0.421 nan 8.230 nan 0.000 0.441 267 R N -0.602 120.029 120.500 0.219 0.000 2.246 267 R HA -0.034 4.305 4.340 -0.001 0.000 0.199 267 R C 1.827 178.184 176.300 0.095 0.000 0.984 267 R CA 0.294 56.477 56.100 0.139 0.000 1.015 267 R CB 0.148 30.553 30.300 0.174 0.000 0.930 267 R HN 0.290 nan 8.270 nan 0.000 0.475 268 E N 0.841 121.085 120.200 0.072 0.000 2.230 268 E HA -0.009 4.341 4.350 -0.001 0.000 0.192 268 E C 0.137 176.765 176.600 0.047 0.000 0.987 268 E CA 0.597 57.027 56.400 0.049 0.000 0.841 268 E CB 0.191 29.884 29.700 -0.011 0.000 0.783 268 E HN 0.010 nan 8.360 nan 0.000 0.481 269 K N 2.161 122.594 120.400 0.055 0.000 2.448 269 K HA 0.064 4.384 4.320 -0.001 0.000 0.278 269 K C 0.442 177.097 176.600 0.091 0.000 1.009 269 K CA 0.246 56.574 56.287 0.069 0.000 0.995 269 K CB 0.430 32.978 32.500 0.080 0.000 0.917 269 K HN -0.021 nan 8.250 nan 0.000 0.481 270 K N 3.314 123.767 120.400 0.088 0.000 2.219 270 K HA 0.032 4.352 4.320 -0.001 0.000 0.258 270 K C -1.524 175.173 176.600 0.161 0.000 1.008 270 K CA -1.523 54.821 56.287 0.095 0.000 0.928 270 K CB 0.087 32.631 32.500 0.072 0.000 0.983 270 K HN 0.185 nan 8.250 nan 0.000 0.484 271 P HA -0.249 nan 4.420 nan 0.000 0.214 271 P C 1.143 178.654 177.300 0.352 0.000 1.169 271 P CA 1.369 64.662 63.100 0.321 0.000 0.908 271 P CB 0.211 31.933 31.700 0.036 0.000 0.791 272 Q N -0.136 119.787 119.800 0.206 0.000 2.364 272 Q HA -0.178 4.162 4.340 -0.001 0.000 0.209 272 Q C 1.795 177.906 176.000 0.185 0.000 0.977 272 Q CA 1.427 57.349 55.803 0.197 0.000 0.885 272 Q CB -0.705 28.115 28.738 0.136 0.000 0.941 272 Q HN 0.358 nan 8.270 nan 0.000 0.464 273 E N -0.828 119.469 120.200 0.162 0.000 2.152 273 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 273 E C 1.599 178.278 176.600 0.132 0.000 0.983 273 E CA 0.813 57.291 56.400 0.130 0.000 0.818 273 E CB 0.046 29.806 29.700 0.100 0.000 0.758 273 E HN 0.301 nan 8.360 nan 0.000 0.467 274 L N 0.697 122.004 121.223 0.139 0.000 2.072 274 L HA -0.127 4.213 4.340 -0.001 0.000 0.205 274 L C 2.231 179.174 176.870 0.121 0.000 1.079 274 L CA 1.151 56.027 54.840 0.061 0.000 0.752 274 L CB -0.203 41.779 42.059 -0.128 0.000 0.906 274 L HN 0.110 nan 8.230 nan 0.000 0.436 275 I N -0.591 120.114 120.570 0.226 0.000 2.226 275 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 275 I C 1.990 178.291 176.117 0.307 0.000 1.100 275 I CA 1.080 62.563 61.300 0.304 0.000 1.374 275 I CB -0.495 37.734 38.000 0.383 0.000 1.057 275 I HN 0.255 nan 8.210 nan 0.000 0.413 276 D N 0.614 121.168 120.400 0.256 0.000 2.158 276 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 276 D C 2.058 178.488 176.300 0.218 0.000 0.995 276 D CA 1.763 55.905 54.000 0.237 0.000 0.846 276 D CB -0.142 40.763 40.800 0.174 0.000 0.941 276 D HN 0.393 nan 8.370 nan 0.000 0.456 277 V N -1.952 118.069 119.914 0.178 0.000 3.621 277 V HA 0.140 4.259 4.120 -0.001 0.000 0.285 277 V C 1.915 178.100 176.094 0.152 0.000 1.346 277 V CA 0.325 62.717 62.300 0.153 0.000 1.104 277 V CB 0.038 31.929 31.823 0.113 0.000 0.913 277 V HN -0.011 nan 8.190 nan 0.000 0.432 278 E N 0.803 121.095 120.200 0.154 0.000 2.136 278 E HA -0.296 4.054 4.350 -0.001 0.000 0.202 278 E C 1.581 178.085 176.600 -0.160 0.000 1.019 278 E CA 2.771 59.208 56.400 0.061 0.000 0.819 278 E CB -0.236 29.448 29.700 -0.027 0.000 0.739 278 E HN 0.828 nan 8.360 nan 0.000 0.458 279 W N 0.403 121.682 121.300 -0.034 0.000 2.905 279 W HA 0.074 4.734 4.660 -0.001 0.000 0.251 279 W C 1.514 177.985 176.519 -0.080 0.000 1.305 279 W CA -0.113 57.168 57.345 -0.106 0.000 1.465 279 W CB 0.087 29.450 29.460 -0.161 0.000 1.122 279 W HN 0.060 nan 8.180 nan 0.000 0.659 280 N N 0.246 119.035 118.700 0.149 0.000 2.571 280 N HA -0.089 4.650 4.740 -0.001 0.000 0.189 280 N C 1.709 177.231 175.510 0.020 0.000 1.154 280 N CA 1.268 54.369 53.050 0.084 0.000 0.907 280 N CB -0.354 38.180 38.487 0.079 0.000 0.977 280 N HN 0.267 nan 8.380 nan 0.000 0.449 281 V N -2.576 117.316 119.914 -0.037 0.000 3.644 281 V HA 0.245 4.365 4.120 -0.001 0.000 0.267 281 V C 0.854 176.860 176.094 -0.147 0.000 1.277 281 V CA -0.086 62.154 62.300 -0.100 0.000 1.096 281 V CB -0.412 31.319 31.823 -0.153 0.000 0.828 281 V HN -0.040 nan 8.190 nan 0.000 0.446 282 L N 1.936 123.083 121.223 -0.125 0.000 2.516 282 L HA 0.171 4.511 4.340 -0.001 0.000 0.288 282 L C -0.810 175.959 176.870 -0.168 0.000 1.246 282 L CA -0.502 54.261 54.840 -0.127 0.000 0.844 282 L CB 0.049 42.097 42.059 -0.019 0.000 1.106 282 L HN 0.180 nan 8.230 nan 0.000 0.509 283 P HA 0.155 nan 4.420 nan 0.000 0.261 283 P C -0.535 176.370 177.300 -0.657 0.000 1.268 283 P CA 0.429 63.200 63.100 -0.549 0.000 0.833 283 P CB 0.395 31.592 31.700 -0.838 0.000 1.231 284 F N -0.526 119.427 119.950 0.005 0.000 2.664 284 F HA 0.375 4.902 4.527 -0.001 0.000 0.317 284 F C 0.000 175.806 175.800 0.010 0.000 1.108 284 F CA -1.647 56.359 58.000 0.010 0.000 0.957 284 F CB 0.403 39.414 39.000 0.018 0.000 1.365 284 F HN -0.370 nan 8.300 nan 0.000 0.475 285 D N 1.238 121.786 120.400 0.248 0.000 2.339 285 D HA 0.481 5.121 4.640 -0.001 0.000 0.241 285 D C -0.816 175.548 176.300 0.107 0.000 1.183 285 D CA 0.305 54.377 54.000 0.120 0.000 0.859 285 D CB 0.563 41.408 40.800 0.075 0.000 1.067 285 D HN 0.596 nan 8.370 nan 0.000 0.484 286 S N 2.558 118.314 115.700 0.093 0.000 2.625 286 S HA 0.671 5.141 4.470 -0.001 0.000 0.271 286 S C -1.056 173.566 174.600 0.036 0.000 1.161 286 S CA -0.961 57.280 58.200 0.069 0.000 0.820 286 S CB 1.186 64.463 63.200 0.129 0.000 1.137 286 S HN 0.221 nan 8.310 nan 0.000 0.470 287 I N 1.388 121.977 120.570 0.031 0.000 2.509 287 I HA 0.723 4.892 4.170 -0.001 0.000 0.293 287 I C -0.552 175.589 176.117 0.040 0.000 1.020 287 I CA -0.939 60.379 61.300 0.030 0.000 1.088 287 I CB 1.102 39.129 38.000 0.045 0.000 1.267 287 I HN 0.831 nan 8.210 nan 0.000 0.430 288 F N 5.755 125.541 119.950 -0.275 0.000 3.028 288 F HA -0.216 4.311 4.527 -0.001 0.000 0.306 288 F C -0.452 174.924 175.800 -0.706 0.000 0.896 288 F CA 0.234 57.848 58.000 -0.644 0.000 1.184 288 F CB -0.712 37.895 39.000 -0.655 0.000 1.213 288 F HN 0.476 nan 8.300 nan 0.000 0.629 289 R N 0.588 120.750 120.500 -0.564 0.000 2.621 289 R HA 0.662 5.001 4.340 -0.001 0.000 0.284 289 R C -0.875 175.063 176.300 -0.602 0.000 0.998 289 R CA -0.553 55.315 56.100 -0.386 0.000 0.895 289 R CB 1.271 31.549 30.300 -0.038 0.000 1.195 289 R HN 0.012 nan 8.270 nan 0.000 0.450 290 F N -0.820 119.244 119.950 0.190 0.000 2.579 290 F HA 0.389 4.915 4.527 -0.001 0.000 0.324 290 F C 1.564 177.261 175.800 -0.172 0.000 1.058 290 F CA -0.750 57.246 58.000 -0.005 0.000 0.944 290 F CB 1.590 40.708 39.000 0.197 0.000 1.245 290 F HN 0.359 nan 8.300 nan 0.000 0.477 291 S N 0.144 115.657 115.700 -0.313 0.000 2.335 291 S HA 0.006 4.476 4.470 -0.001 0.000 0.217 291 S C 0.040 174.233 174.600 -0.679 0.000 1.032 291 S CA 0.930 58.754 58.200 -0.627 0.000 0.985 291 S CB -0.256 62.297 63.200 -1.079 0.000 0.896 291 S HN 0.319 nan 8.310 nan 0.000 0.445 292 F N 2.516 122.473 119.950 0.012 0.000 2.361 292 F HA 0.578 5.105 4.527 -0.001 0.000 0.364 292 F C 0.120 175.940 175.800 0.032 0.000 1.120 292 F CA -1.132 56.908 58.000 0.067 0.000 1.102 292 F CB 0.837 39.910 39.000 0.122 0.000 1.183 292 F HN -0.058 nan 8.300 nan 0.000 0.476 293 V N 0.934 120.857 119.914 0.016 0.000 3.160 293 V HA 0.730 4.850 4.120 -0.001 0.000 0.310 293 V C -2.896 172.966 176.094 -0.387 0.000 1.181 293 V CA -3.361 58.689 62.300 -0.416 0.000 1.047 293 V CB 1.947 33.651 31.823 -0.199 0.000 1.068 293 V HN 0.278 nan 8.190 nan 0.000 0.441 294 P HA 0.216 nan 4.420 nan 0.000 0.265 294 P C -0.471 176.755 177.300 -0.122 0.000 1.187 294 P CA 0.287 63.228 63.100 -0.265 0.000 0.766 294 P CB 0.446 31.927 31.700 -0.365 0.000 0.820 295 V N 1.296 121.217 119.914 0.013 0.000 2.547 295 V HA 0.409 4.529 4.120 -0.001 0.000 0.299 295 V C 0.127 176.250 176.094 0.049 0.000 1.040 295 V CA -0.801 61.493 62.300 -0.010 0.000 0.913 295 V CB 1.465 33.297 31.823 0.015 0.000 0.992 295 V HN 0.207 nan 8.190 nan 0.000 0.449 296 I N 5.083 125.618 120.570 -0.058 0.000 2.349 296 I HA 0.148 4.317 4.170 -0.001 0.000 0.302 296 I C 1.083 177.221 176.117 0.035 0.000 1.180 296 I CA 0.080 61.373 61.300 -0.012 0.000 1.405 296 I CB -0.472 37.444 38.000 -0.140 0.000 1.474 296 I HN 0.959 nan 8.210 nan 0.000 0.632 297 D N 3.134 123.628 120.400 0.157 0.000 2.323 297 D HA -0.001 4.638 4.640 -0.001 0.000 0.209 297 D C 1.468 177.862 176.300 0.157 0.000 0.973 297 D CA 0.952 54.996 54.000 0.073 0.000 0.874 297 D CB 0.257 41.212 40.800 0.260 0.000 0.930 297 D HN 0.619 nan 8.370 nan 0.000 0.521 298 G N 0.140 109.053 108.800 0.189 0.000 2.175 298 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.244 298 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.244 298 G C 0.747 175.742 174.900 0.158 0.000 0.982 298 G CA 0.503 45.700 45.100 0.162 0.000 0.641 298 G HN 0.473 nan 8.290 nan 0.000 0.527 299 E N -1.526 118.782 120.200 0.181 0.000 2.870 299 E HA 0.383 4.733 4.350 -0.001 0.000 0.185 299 E C 1.720 178.368 176.600 0.080 0.000 1.084 299 E CA -0.230 56.243 56.400 0.122 0.000 1.246 299 E CB -0.011 29.772 29.700 0.138 0.000 1.382 299 E HN 0.183 nan 8.360 nan 0.000 0.492 300 F N 0.778 120.683 119.950 -0.075 0.000 2.171 300 F HA 0.025 4.551 4.527 -0.001 0.000 0.300 300 F C 0.109 175.640 175.800 -0.448 0.000 1.090 300 F CA 1.098 58.921 58.000 -0.296 0.000 1.293 300 F CB 0.368 39.121 39.000 -0.412 0.000 1.013 300 F HN -0.136 nan 8.300 nan 0.000 0.486 301 F N 0.101 120.200 119.950 0.249 0.000 2.449 301 F HA 0.362 4.888 4.527 -0.001 0.000 0.342 301 F C -1.693 174.158 175.800 0.085 0.000 1.127 301 F CA -2.643 55.445 58.000 0.147 0.000 0.975 301 F CB 0.962 40.040 39.000 0.130 0.000 1.146 301 F HN -0.286 nan 8.300 nan 0.000 0.444 302 P HA -0.043 nan 4.420 nan 0.000 0.216 302 P C 0.200 177.568 177.300 0.112 0.000 1.153 302 P CA 1.506 64.677 63.100 0.119 0.000 0.848 302 P CB 0.275 32.018 31.700 0.071 0.000 0.787 303 T N -6.349 108.278 114.554 0.122 0.000 2.618 303 T HA 0.392 4.741 4.350 -0.001 0.000 0.293 303 T C -0.565 174.174 174.700 0.065 0.000 1.093 303 T CA -0.763 61.382 62.100 0.076 0.000 1.061 303 T CB 0.507 69.406 68.868 0.052 0.000 1.498 303 T HN -0.075 nan 8.240 nan 0.000 0.494 304 S N 0.522 116.235 115.700 0.022 0.000 2.546 304 S HA 0.143 4.613 4.470 -0.001 0.000 0.290 304 S C 1.564 176.162 174.600 -0.003 0.000 1.290 304 S CA -0.720 57.469 58.200 -0.017 0.000 1.069 304 S CB -0.499 62.689 63.200 -0.019 0.000 0.846 304 S HN 0.665 nan 8.310 nan 0.000 0.495 305 L N 0.987 122.169 121.223 -0.068 0.000 2.137 305 L HA -0.203 4.136 4.340 -0.001 0.000 0.213 305 L C 2.827 179.729 176.870 0.054 0.000 1.085 305 L CA 2.065 56.891 54.840 -0.024 0.000 0.760 305 L CB -0.704 41.276 42.059 -0.132 0.000 0.893 305 L HN 0.819 nan 8.230 nan 0.000 0.434 306 E N 0.443 120.665 120.200 0.037 0.000 2.107 306 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 306 E C 2.218 178.878 176.600 0.100 0.000 0.982 306 E CA 1.452 57.907 56.400 0.091 0.000 0.809 306 E CB -0.030 29.715 29.700 0.076 0.000 0.756 306 E HN 0.491 nan 8.360 nan 0.000 0.459 307 S N -0.283 115.459 115.700 0.070 0.000 2.406 307 S HA -0.127 4.343 4.470 -0.001 0.000 0.228 307 S C 2.123 176.771 174.600 0.079 0.000 1.020 307 S CA 1.075 59.315 58.200 0.066 0.000 0.965 307 S CB -0.360 62.865 63.200 0.043 0.000 0.798 307 S HN 0.249 nan 8.310 nan 0.000 0.488 308 M N 0.993 120.654 119.600 0.102 0.000 2.117 308 M HA 0.018 4.497 4.480 -0.001 0.000 0.262 308 M C 2.201 178.635 176.300 0.224 0.000 1.065 308 M CA 1.433 56.817 55.300 0.139 0.000 1.114 308 M CB -0.623 32.091 32.600 0.189 0.000 1.361 308 M HN 0.319 nan 8.290 nan 0.000 0.408 309 L N -0.128 121.234 121.223 0.232 0.000 2.056 309 L HA -0.227 4.113 4.340 -0.001 0.000 0.207 309 L C 2.094 179.127 176.870 0.271 0.000 1.078 309 L CA 0.928 55.935 54.840 0.280 0.000 0.749 309 L CB -0.747 41.412 42.059 0.167 0.000 0.901 309 L HN 0.349 nan 8.230 nan 0.000 0.433 310 N N -0.291 118.516 118.700 0.180 0.000 2.244 310 N HA -0.122 4.618 4.740 -0.001 0.000 0.183 310 N C 1.739 177.342 175.510 0.155 0.000 1.016 310 N CA 1.551 54.704 53.050 0.171 0.000 0.866 310 N CB -0.107 38.453 38.487 0.121 0.000 0.980 310 N HN 0.307 nan 8.380 nan 0.000 0.430 311 S N -1.311 114.404 115.700 0.024 0.000 2.582 311 S HA 0.345 4.814 4.470 -0.001 0.000 0.234 311 S C 1.261 175.527 174.600 -0.557 0.000 0.961 311 S CA 0.227 58.348 58.200 -0.132 0.000 0.953 311 S CB 0.130 63.273 63.200 -0.095 0.000 0.800 311 S HN 0.369 nan 8.310 nan 0.000 0.471 312 G N 2.243 110.505 108.800 -0.897 0.000 2.175 312 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.265 312 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.265 312 G C 0.239 174.321 174.900 -1.364 0.000 0.979 312 G CA 0.197 44.124 45.100 -1.955 0.000 0.663 312 G HN 0.634 nan 8.290 nan 0.000 0.533 313 N N 0.766 119.094 118.700 -0.621 0.000 2.950 313 N HA 0.407 5.146 4.740 -0.001 0.000 0.313 313 N C -0.106 175.333 175.510 -0.119 0.000 1.213 313 N CA 0.439 53.295 53.050 -0.324 0.000 1.184 313 N CB -1.169 37.249 38.487 -0.115 0.000 1.454 313 N HN 0.713 nan 8.380 nan 0.000 0.532 314 F N -1.444 118.443 119.950 -0.105 0.000 2.741 314 F HA 0.419 4.945 4.527 -0.001 0.000 0.311 314 F C -0.253 175.549 175.800 0.003 0.000 1.149 314 F CA -1.519 56.489 58.000 0.013 0.000 0.930 314 F CB 0.618 39.693 39.000 0.125 0.000 1.312 314 F HN -0.178 nan 8.300 nan 0.000 0.450 315 K N 1.953 122.585 120.400 0.386 0.000 2.402 315 K HA 0.189 4.509 4.320 -0.001 0.000 0.285 315 K C -0.955 175.859 176.600 0.356 0.000 1.054 315 K CA -0.179 56.252 56.287 0.239 0.000 1.001 315 K CB 0.386 32.990 32.500 0.174 0.000 0.946 315 K HN 0.622 nan 8.250 nan 0.000 0.473 316 K N 2.655 123.141 120.400 0.145 0.000 2.258 316 K HA 0.213 4.532 4.320 -0.001 0.000 0.284 316 K C -0.067 176.641 176.600 0.180 0.000 1.051 316 K CA -0.132 56.239 56.287 0.140 0.000 0.923 316 K CB 1.830 34.333 32.500 0.005 0.000 1.046 316 K HN 0.722 nan 8.250 nan 0.000 0.474 317 T N 1.248 115.984 114.554 0.303 0.000 2.676 317 T HA 0.250 4.599 4.350 -0.001 0.000 0.299 317 T C -1.595 173.306 174.700 0.334 0.000 1.657 317 T CA -0.747 61.499 62.100 0.244 0.000 0.985 317 T CB 0.431 69.420 68.868 0.202 0.000 1.926 317 T HN 0.396 nan 8.240 nan 0.000 0.456 318 Q N 1.072 121.038 119.800 0.276 0.000 2.230 318 Q HA 0.773 5.113 4.340 -0.001 0.000 0.253 318 Q C -0.395 175.899 176.000 0.489 0.000 0.919 318 Q CA -0.479 55.545 55.803 0.368 0.000 0.908 318 Q CB 1.403 30.310 28.738 0.281 0.000 1.245 318 Q HN 0.693 nan 8.270 nan 0.000 0.437 319 I N -1.386 119.426 120.570 0.405 0.000 2.769 319 I HA 0.660 4.829 4.170 -0.001 0.000 0.298 319 I C -1.467 174.571 176.117 -0.131 0.000 1.128 319 I CA -1.338 60.058 61.300 0.160 0.000 1.031 319 I CB 1.828 39.747 38.000 -0.134 0.000 1.235 319 I HN 0.530 nan 8.210 nan 0.000 0.423 320 L N 7.078 127.985 121.223 -0.527 0.000 2.349 320 L HA 0.757 5.097 4.340 -0.001 0.000 0.278 320 L C -1.171 175.534 176.870 -0.276 0.000 0.996 320 L CA -0.555 53.882 54.840 -0.673 0.000 0.825 320 L CB 1.467 42.580 42.059 -1.576 0.000 1.243 320 L HN 0.818 nan 8.230 nan 0.000 0.412 321 L N 2.510 123.711 121.223 -0.037 0.000 2.403 321 L HA 1.130 5.469 4.340 -0.001 0.000 0.253 321 L C -0.652 176.143 176.870 -0.124 0.000 1.045 321 L CA -0.499 54.349 54.840 0.015 0.000 0.845 321 L CB 2.085 44.117 42.059 -0.045 0.000 1.447 321 L HN 0.629 nan 8.230 nan 0.000 0.411 322 G N -0.094 108.483 108.800 -0.373 0.000 2.430 322 G HA2 0.575 4.535 3.960 -0.001 0.000 0.300 322 G HA3 0.575 4.535 3.960 -0.001 0.000 0.300 322 G C -1.565 173.045 174.900 -0.482 0.000 1.330 322 G CA 0.005 44.555 45.100 -0.916 0.000 0.813 322 G HN 1.346 nan 8.290 nan 0.000 0.487 323 V N -2.390 117.316 119.914 -0.348 0.000 3.130 323 V HA 0.826 4.945 4.120 -0.001 0.000 0.310 323 V C -0.862 175.235 176.094 0.005 0.000 1.158 323 V CA -1.480 60.799 62.300 -0.035 0.000 1.029 323 V CB 1.876 33.729 31.823 0.051 0.000 1.057 323 V HN 0.655 nan 8.190 nan 0.000 0.436 324 N N 0.889 119.636 118.700 0.080 0.000 2.476 324 N HA 0.420 5.160 4.740 -0.001 0.000 0.275 324 N C 0.624 176.031 175.510 -0.173 0.000 1.190 324 N CA -0.488 52.583 53.050 0.034 0.000 0.977 324 N CB 1.611 40.237 38.487 0.231 0.000 1.200 324 N HN 0.924 nan 8.380 nan 0.000 0.515 325 K N -0.086 120.102 120.400 -0.353 0.000 2.057 325 K HA -0.048 4.272 4.320 -0.001 0.000 0.207 325 K C -0.619 176.059 176.600 0.130 0.000 1.049 325 K CA 1.234 57.440 56.287 -0.135 0.000 0.931 325 K CB 0.223 32.689 32.500 -0.057 0.000 0.714 325 K HN 0.513 nan 8.250 nan 0.000 0.440 326 D N 1.179 121.645 120.400 0.111 0.000 2.483 326 D HA 0.045 4.684 4.640 -0.001 0.000 0.281 326 D C 0.053 176.448 176.300 0.158 0.000 1.174 326 D CA -0.087 53.997 54.000 0.140 0.000 0.938 326 D CB 1.507 42.370 40.800 0.104 0.000 1.002 326 D HN 0.155 nan 8.370 nan 0.000 0.501 327 E N 0.612 120.927 120.200 0.191 0.000 2.158 327 E HA -0.052 4.298 4.350 -0.001 0.000 0.191 327 E C 1.970 178.715 176.600 0.242 0.000 0.982 327 E CA 0.406 56.947 56.400 0.234 0.000 0.823 327 E CB 0.237 30.073 29.700 0.227 0.000 0.766 327 E HN 0.457 nan 8.360 nan 0.000 0.468 328 G N 1.552 110.481 108.800 0.214 0.000 2.453 328 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.215 328 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.215 328 G C 1.731 176.754 174.900 0.204 0.000 1.147 328 G CA 1.017 46.267 45.100 0.251 0.000 0.802 328 G HN 0.364 nan 8.290 nan 0.000 0.535 329 S N 0.960 116.730 115.700 0.117 0.000 2.390 329 S HA -0.326 4.143 4.470 -0.001 0.000 0.234 329 S C 2.105 176.625 174.600 -0.134 0.000 1.063 329 S CA 1.734 59.940 58.200 0.011 0.000 1.108 329 S CB -0.856 62.270 63.200 -0.123 0.000 0.975 329 S HN 0.293 nan 8.310 nan 0.000 0.442 330 F N 1.807 121.544 119.950 -0.354 0.000 2.154 330 F HA -0.049 4.478 4.527 -0.001 0.000 0.301 330 F C 1.725 177.118 175.800 -0.679 0.000 1.087 330 F CA 1.620 59.242 58.000 -0.631 0.000 1.274 330 F CB -0.372 38.087 39.000 -0.901 0.000 1.009 330 F HN 0.222 nan 8.300 nan 0.000 0.485 331 F N -0.869 119.005 119.950 -0.127 0.000 2.512 331 F HA 0.016 4.543 4.527 -0.001 0.000 0.296 331 F C 1.996 177.694 175.800 -0.171 0.000 1.110 331 F CA 0.465 58.355 58.000 -0.182 0.000 1.446 331 F CB -0.707 38.105 39.000 -0.313 0.000 1.092 331 F HN -0.106 nan 8.300 nan 0.000 0.554 332 L N -0.618 120.526 121.223 -0.132 0.000 2.023 332 L HA -0.166 4.174 4.340 -0.001 0.000 0.205 332 L C 2.483 179.130 176.870 -0.370 0.000 1.073 332 L CA 0.684 55.235 54.840 -0.481 0.000 0.745 332 L CB -0.744 40.666 42.059 -1.081 0.000 0.900 332 L HN 0.129 nan 8.230 nan 0.000 0.435 333 L N -0.843 120.302 121.223 -0.129 0.000 2.103 333 L HA -0.298 4.042 4.340 -0.001 0.000 0.215 333 L C 2.148 179.068 176.870 0.083 0.000 1.080 333 L CA 2.087 57.031 54.840 0.172 0.000 0.764 333 L CB -0.578 41.554 42.059 0.123 0.000 0.890 333 L HN 0.170 nan 8.230 nan 0.000 0.435 334 Y N -1.490 118.704 120.300 -0.177 0.000 2.503 334 Y HA 0.319 4.869 4.550 -0.001 0.000 0.278 334 Y C 2.155 177.987 175.900 -0.113 0.000 1.111 334 Y CA 0.613 58.621 58.100 -0.153 0.000 1.270 334 Y CB 0.225 38.535 38.460 -0.250 0.000 1.063 334 Y HN 0.211 nan 8.280 nan 0.000 0.548 335 G N -1.408 107.421 108.800 0.048 0.000 4.000 335 G HA2 0.478 4.437 3.960 -0.001 0.000 0.260 335 G HA3 0.478 4.437 3.960 -0.001 0.000 0.260 335 G C -0.314 174.606 174.900 0.033 0.000 1.047 335 G CA 0.333 45.442 45.100 0.015 0.000 0.860 335 G HN 0.229 nan 8.290 nan 0.000 0.464 336 A N 1.521 124.380 122.820 0.065 0.000 2.330 336 A HA 0.855 5.175 4.320 -0.001 0.000 0.327 336 A C -2.641 175.111 177.584 0.281 0.000 1.155 336 A CA -1.592 50.544 52.037 0.165 0.000 0.803 336 A CB 1.618 20.728 19.000 0.183 0.000 1.208 336 A HN 0.057 nan 8.150 nan 0.000 0.477 337 P HA 0.397 nan 4.420 nan 0.000 0.280 337 P C 0.730 178.049 177.300 0.032 0.000 1.244 337 P CA 1.054 64.211 63.100 0.095 0.000 0.784 337 P CB 1.435 33.158 31.700 0.038 0.000 0.913 338 G N 1.825 110.590 108.800 -0.058 0.000 2.278 338 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.210 338 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.210 338 G C -0.314 174.342 174.900 -0.407 0.000 1.000 338 G CA -0.538 44.398 45.100 -0.273 0.000 0.635 338 G HN 0.426 nan 8.290 nan 0.000 0.495 339 F N 2.123 121.987 119.950 -0.143 0.000 2.399 339 F HA 0.760 5.287 4.527 -0.001 0.000 0.334 339 F C 0.634 176.399 175.800 -0.058 0.000 1.097 339 F CA -0.403 57.468 58.000 -0.214 0.000 1.076 339 F CB 2.240 41.164 39.000 -0.126 0.000 1.162 339 F HN 0.046 nan 8.300 nan 0.000 0.495 340 S N 1.232 117.021 115.700 0.148 0.000 2.564 340 S HA 0.263 4.732 4.470 -0.001 0.000 0.274 340 S C 0.537 175.326 174.600 0.314 0.000 1.124 340 S CA -1.145 57.165 58.200 0.183 0.000 0.869 340 S CB 2.214 65.451 63.200 0.061 0.000 1.105 340 S HN 0.722 nan 8.310 nan 0.000 0.472 341 K N 0.640 121.170 120.400 0.217 0.000 2.211 341 K HA -0.066 4.254 4.320 -0.001 0.000 0.203 341 K C -0.079 176.570 176.600 0.081 0.000 1.050 341 K CA 1.376 57.720 56.287 0.094 0.000 0.945 341 K CB 0.033 32.274 32.500 -0.432 0.000 0.732 341 K HN 0.483 nan 8.250 nan 0.000 0.451 342 D N 0.428 120.852 120.400 0.041 0.000 2.363 342 D HA 0.015 4.655 4.640 -0.001 0.000 0.214 342 D C 0.103 176.430 176.300 0.045 0.000 1.093 342 D CA 0.155 54.162 54.000 0.012 0.000 0.837 342 D CB 0.775 41.546 40.800 -0.049 0.000 0.948 342 D HN 0.199 nan 8.370 nan 0.000 0.507 343 S N -0.786 114.955 115.700 0.068 0.000 2.677 343 S HA 0.354 4.824 4.470 -0.001 0.000 0.304 343 S C 0.731 175.321 174.600 -0.015 0.000 1.108 343 S CA -0.768 57.433 58.200 0.002 0.000 0.944 343 S CB 2.132 65.293 63.200 -0.066 0.000 1.127 343 S HN -0.148 nan 8.310 nan 0.000 0.511 344 E N 0.717 120.878 120.200 -0.065 0.000 2.516 344 E HA 0.075 4.425 4.350 -0.001 0.000 0.199 344 E C -0.281 176.077 176.600 -0.403 0.000 1.069 344 E CA 0.284 56.629 56.400 -0.092 0.000 0.876 344 E CB -0.361 29.315 29.700 -0.040 0.000 0.843 344 E HN 0.650 nan 8.360 nan 0.000 0.530 345 S N 1.107 116.507 115.700 -0.500 0.000 3.549 345 S HA -0.205 4.264 4.470 -0.001 0.000 0.366 345 S C -0.066 174.182 174.600 -0.586 0.000 1.012 345 S CA 0.748 58.525 58.200 -0.704 0.000 1.141 345 S CB -1.175 61.239 63.200 -1.309 0.000 0.910 345 S HN 0.330 nan 8.310 nan 0.000 0.471 346 K N 0.670 120.857 120.400 -0.354 0.000 2.436 346 K HA 0.269 4.589 4.320 -0.001 0.000 0.275 346 K C 0.326 176.737 176.600 -0.314 0.000 0.999 346 K CA 0.117 56.247 56.287 -0.260 0.000 0.980 346 K CB 0.356 32.758 32.500 -0.163 0.000 0.919 346 K HN 0.209 nan 8.250 nan 0.000 0.484 347 I N 1.929 122.337 120.570 -0.269 0.000 2.509 347 I HA 0.091 4.261 4.170 -0.001 0.000 0.293 347 I C 0.600 176.638 176.117 -0.131 0.000 1.020 347 I CA -0.518 60.626 61.300 -0.260 0.000 1.088 347 I CB 1.576 39.391 38.000 -0.309 0.000 1.267 347 I HN 0.696 nan 8.210 nan 0.000 0.430 348 S N 6.327 121.964 115.700 -0.107 0.000 2.632 348 S HA 0.363 4.833 4.470 -0.001 0.000 0.267 348 S C 1.163 175.755 174.600 -0.013 0.000 1.276 348 S CA -0.539 57.622 58.200 -0.066 0.000 0.998 348 S CB 1.548 64.715 63.200 -0.056 0.000 0.953 348 S HN 0.501 nan 8.310 nan 0.000 0.547 349 R N 1.016 121.499 120.500 -0.029 0.000 2.105 349 R HA -0.061 4.278 4.340 -0.001 0.000 0.239 349 R C 2.153 178.514 176.300 0.101 0.000 1.135 349 R CA 1.392 57.499 56.100 0.012 0.000 0.967 349 R CB -1.189 29.093 30.300 -0.030 0.000 0.861 349 R HN 0.860 nan 8.270 nan 0.000 0.442 350 E N 1.132 121.361 120.200 0.049 0.000 2.077 350 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 350 E C 0.754 177.389 176.600 0.059 0.000 0.989 350 E CA 1.336 57.766 56.400 0.050 0.000 0.800 350 E CB 0.086 29.797 29.700 0.018 0.000 0.746 350 E HN 0.197 nan 8.360 nan 0.000 0.452 351 D N -0.743 119.682 120.400 0.042 0.000 2.289 351 D HA -0.045 4.594 4.640 -0.001 0.000 0.207 351 D C 1.571 177.917 176.300 0.076 0.000 0.966 351 D CA 0.132 54.145 54.000 0.022 0.000 0.868 351 D CB -0.365 40.401 40.800 -0.057 0.000 0.943 351 D HN 0.172 nan 8.370 nan 0.000 0.514 352 F N 1.257 121.182 119.950 -0.041 0.000 2.014 352 F HA -0.147 4.379 4.527 -0.001 0.000 0.295 352 F C 2.268 178.078 175.800 0.017 0.000 1.145 352 F CA 1.394 59.388 58.000 -0.011 0.000 1.178 352 F CB -0.327 38.653 39.000 -0.033 0.000 0.972 352 F HN -0.220 nan 8.300 nan 0.000 0.476 353 M N -0.029 119.754 119.600 0.304 0.000 2.327 353 M HA -0.280 4.200 4.480 -0.001 0.000 0.258 353 M C 2.001 178.309 176.300 0.013 0.000 1.079 353 M CA 1.779 57.170 55.300 0.151 0.000 1.056 353 M CB -0.468 32.237 32.600 0.176 0.000 1.387 353 M HN 0.200 nan 8.290 nan 0.000 0.423 354 S N -0.524 115.180 115.700 0.006 0.000 2.439 354 S HA 0.055 4.525 4.470 -0.001 0.000 0.224 354 S C 1.927 176.507 174.600 -0.034 0.000 1.029 354 S CA 0.880 59.076 58.200 -0.007 0.000 0.946 354 S CB -0.229 62.980 63.200 0.015 0.000 0.797 354 S HN 0.671 nan 8.310 nan 0.000 0.504 355 G N 1.927 110.693 108.800 -0.057 0.000 2.418 355 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.217 355 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.217 355 G C 1.649 176.460 174.900 -0.148 0.000 1.158 355 G CA 1.171 46.236 45.100 -0.058 0.000 0.771 355 G HN 0.516 nan 8.290 nan 0.000 0.545 356 V N -0.044 119.706 119.914 -0.275 0.000 2.594 356 V HA 0.000 4.120 4.120 -0.001 0.000 0.253 356 V C 2.439 178.454 176.094 -0.130 0.000 1.069 356 V CA 2.612 64.777 62.300 -0.226 0.000 1.082 356 V CB -0.456 31.212 31.823 -0.257 0.000 0.680 356 V HN 0.334 nan 8.190 nan 0.000 0.469 357 K N -0.108 120.228 120.400 -0.106 0.000 2.103 357 K HA 0.007 4.327 4.320 -0.001 0.000 0.204 357 K C 1.811 178.349 176.600 -0.103 0.000 1.052 357 K CA 1.659 57.887 56.287 -0.098 0.000 0.945 357 K CB -0.330 32.132 32.500 -0.064 0.000 0.722 357 K HN 0.479 nan 8.250 nan 0.000 0.443 358 L N 0.355 121.535 121.223 -0.071 0.000 2.179 358 L HA 0.024 4.363 4.340 -0.001 0.000 0.208 358 L C 2.054 178.897 176.870 -0.045 0.000 1.096 358 L CA 1.357 56.171 54.840 -0.044 0.000 0.779 358 L CB -0.382 41.669 42.059 -0.012 0.000 0.922 358 L HN 0.098 nan 8.230 nan 0.000 0.443 359 S N -1.413 114.249 115.700 -0.064 0.000 2.406 359 S HA 0.021 4.490 4.470 -0.001 0.000 0.228 359 S C 0.989 175.515 174.600 -0.123 0.000 1.020 359 S CA 0.615 58.782 58.200 -0.056 0.000 0.965 359 S CB 0.131 63.292 63.200 -0.066 0.000 0.798 359 S HN 0.147 nan 8.310 nan 0.000 0.488 360 V N 3.233 123.027 119.914 -0.199 0.000 2.446 360 V HA 0.201 4.320 4.120 -0.001 0.000 0.257 360 V C -1.721 174.087 176.094 -0.477 0.000 1.036 360 V CA -1.391 60.674 62.300 -0.391 0.000 1.196 360 V CB 0.598 32.230 31.823 -0.317 0.000 1.446 360 V HN 0.200 nan 8.190 nan 0.000 0.558 361 P HA -0.229 nan 4.420 nan 0.000 0.217 361 P C 1.177 178.033 177.300 -0.741 0.000 1.148 361 P CA 1.766 64.587 63.100 -0.466 0.000 0.834 361 P CB 0.012 31.520 31.700 -0.320 0.000 0.783 362 H N -1.096 117.708 119.070 -0.444 0.000 2.548 362 H HA 0.436 4.992 4.556 -0.001 0.000 0.265 362 H C 0.651 175.860 175.328 -0.198 0.000 0.969 362 H CA -0.030 55.810 56.048 -0.346 0.000 1.155 362 H CB -0.607 29.085 29.762 -0.117 0.000 1.394 362 H HN -0.007 nan 8.280 nan 0.000 0.570 363 A N 2.628 125.109 122.820 -0.565 0.000 2.388 363 A HA 0.204 4.523 4.320 -0.001 0.000 0.257 363 A C 0.452 177.928 177.584 -0.181 0.000 1.095 363 A CA -0.428 51.426 52.037 -0.306 0.000 0.791 363 A CB 0.355 19.178 19.000 -0.294 0.000 1.029 363 A HN 0.660 nan 8.150 nan 0.000 0.489 364 N N 1.058 119.695 118.700 -0.104 0.000 2.366 364 N HA 0.106 4.845 4.740 -0.001 0.000 0.277 364 N C 0.376 175.853 175.510 -0.055 0.000 1.275 364 N CA 0.045 53.055 53.050 -0.067 0.000 0.964 364 N CB -0.354 38.109 38.487 -0.040 0.000 1.167 364 N HN 0.377 nan 8.380 nan 0.000 0.568 365 D N -1.029 119.352 120.400 -0.031 0.000 2.117 365 D HA -0.132 4.507 4.640 -0.001 0.000 0.197 365 D C 1.855 178.157 176.300 0.003 0.000 0.987 365 D CA 1.060 55.052 54.000 -0.013 0.000 0.829 365 D CB -0.297 40.501 40.800 -0.003 0.000 0.961 365 D HN 0.480 nan 8.370 nan 0.000 0.460 366 L N 0.969 122.193 121.223 0.002 0.000 2.131 366 L HA 0.075 4.414 4.340 -0.001 0.000 0.210 366 L C 2.444 179.332 176.870 0.030 0.000 1.092 366 L CA 2.054 56.905 54.840 0.019 0.000 0.759 366 L CB -1.134 40.930 42.059 0.009 0.000 0.903 366 L HN 0.170 nan 8.230 nan 0.000 0.435 367 G N -0.404 108.393 108.800 -0.004 0.000 2.414 367 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.215 367 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.215 367 G C 1.543 176.457 174.900 0.024 0.000 1.188 367 G CA 0.927 46.022 45.100 -0.008 0.000 0.783 367 G HN 0.441 nan 8.290 nan 0.000 0.537 368 L N 0.544 121.765 121.223 -0.003 0.000 2.353 368 L HA -0.024 4.315 4.340 -0.001 0.000 0.220 368 L C 2.132 179.047 176.870 0.074 0.000 1.133 368 L CA 0.702 55.551 54.840 0.016 0.000 0.798 368 L CB -0.228 41.825 42.059 -0.011 0.000 0.922 368 L HN 0.081 nan 8.230 nan 0.000 0.445 369 D N 0.054 120.503 120.400 0.081 0.000 2.183 369 D HA -0.034 4.606 4.640 -0.001 0.000 0.205 369 D C 2.266 178.648 176.300 0.136 0.000 0.962 369 D CA 1.231 55.298 54.000 0.112 0.000 0.849 369 D CB 0.150 41.000 40.800 0.083 0.000 0.978 369 D HN 0.250 nan 8.370 nan 0.000 0.488 370 A N 0.521 123.432 122.820 0.153 0.000 1.898 370 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 370 A C 2.463 180.098 177.584 0.085 0.000 1.181 370 A CA 1.108 53.271 52.037 0.209 0.000 0.620 370 A CB -0.736 18.519 19.000 0.425 0.000 0.819 370 A HN 0.115 nan 8.150 nan 0.000 0.442 371 V N 0.049 120.040 119.914 0.128 0.000 2.255 371 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 371 V C 2.763 178.938 176.094 0.135 0.000 1.051 371 V CA 2.597 64.926 62.300 0.048 0.000 1.018 371 V CB -1.513 30.378 31.823 0.112 0.000 0.641 371 V HN 0.616 nan 8.190 nan 0.000 0.445 372 T N 0.635 115.311 114.554 0.203 0.000 2.699 372 T HA -0.252 4.098 4.350 -0.001 0.000 0.268 372 T C 1.892 176.755 174.700 0.271 0.000 1.036 372 T CA 2.018 64.313 62.100 0.325 0.000 1.147 372 T CB -0.446 68.637 68.868 0.357 0.000 0.862 372 T HN 0.322 nan 8.240 nan 0.000 0.446 373 L N 0.789 122.168 121.223 0.261 0.000 2.131 373 L HA -0.064 4.275 4.340 -0.001 0.000 0.210 373 L C 2.456 179.393 176.870 0.112 0.000 1.092 373 L CA 1.741 56.785 54.840 0.340 0.000 0.759 373 L CB -0.515 41.655 42.059 0.185 0.000 0.903 373 L HN 0.118 nan 8.230 nan 0.000 0.435 374 Q N -1.596 118.117 119.800 -0.146 0.000 2.137 374 Q HA -0.108 4.232 4.340 -0.001 0.000 0.198 374 Q C 1.179 176.893 176.000 -0.477 0.000 0.960 374 Q CA 1.580 57.118 55.803 -0.441 0.000 0.847 374 Q CB -0.154 28.015 28.738 -0.949 0.000 0.915 374 Q HN 0.661 nan 8.270 nan 0.000 0.448 375 Y N -0.544 119.699 120.300 -0.095 0.000 2.493 375 Y HA 0.313 4.863 4.550 -0.001 0.000 0.275 375 Y C -0.212 175.645 175.900 -0.072 0.000 1.183 375 Y CA -0.031 58.074 58.100 0.008 0.000 1.258 375 Y CB 0.785 39.343 38.460 0.162 0.000 1.108 375 Y HN -0.159 nan 8.280 nan 0.000 0.521 376 T N 0.151 114.573 114.554 -0.220 0.000 2.823 376 T HA 0.101 4.451 4.350 -0.001 0.000 0.279 376 T C -0.867 173.394 174.700 -0.733 0.000 0.998 376 T CA -0.745 60.967 62.100 -0.646 0.000 0.994 376 T CB 1.328 69.490 68.868 -1.176 0.000 0.960 376 T HN -0.046 nan 8.240 nan 0.000 0.448 377 D N 1.844 121.890 120.400 -0.590 0.000 2.494 377 D HA 0.128 4.768 4.640 -0.001 0.000 0.217 377 D C 0.276 176.319 176.300 -0.427 0.000 1.153 377 D CA -0.731 53.040 54.000 -0.381 0.000 0.954 377 D CB 0.179 40.846 40.800 -0.222 0.000 1.034 377 D HN 0.610 nan 8.370 nan 0.000 0.518 378 W N 2.529 123.782 121.300 -0.078 0.000 2.480 378 W HA -0.097 4.562 4.660 -0.001 0.000 0.257 378 W C 2.068 178.551 176.519 -0.060 0.000 1.235 378 W CA 0.051 57.353 57.345 -0.072 0.000 1.218 378 W CB -0.174 29.248 29.460 -0.063 0.000 1.131 378 W HN 0.409 nan 8.180 nan 0.000 0.606 379 M N 0.394 120.049 119.600 0.092 0.000 2.453 379 M HA 0.045 4.525 4.480 -0.001 0.000 0.239 379 M C -0.075 176.227 176.300 0.002 0.000 1.151 379 M CA 0.924 56.258 55.300 0.056 0.000 0.989 379 M CB 0.375 32.998 32.600 0.039 0.000 1.548 379 M HN -0.230 nan 8.290 nan 0.000 0.479 380 D N 0.214 120.589 120.400 -0.043 0.000 4.082 380 D HA -0.050 4.590 4.640 -0.001 0.000 0.255 380 D C -0.187 176.033 176.300 -0.134 0.000 1.427 380 D CA 0.213 54.171 54.000 -0.069 0.000 0.804 380 D CB -0.051 40.709 40.800 -0.066 0.000 1.364 380 D HN 0.483 nan 8.370 nan 0.000 0.809 381 D N -0.850 119.466 120.400 -0.140 0.000 2.371 381 D HA -0.073 4.567 4.640 -0.001 0.000 0.221 381 D C 0.475 176.651 176.300 -0.207 0.000 0.986 381 D CA 0.123 53.975 54.000 -0.246 0.000 0.899 381 D CB 0.116 40.785 40.800 -0.219 0.000 0.902 381 D HN 0.125 nan 8.370 nan 0.000 0.530 382 N N 0.363 118.984 118.700 -0.130 0.000 2.338 382 N HA 0.041 4.781 4.740 -0.001 0.000 0.251 382 N C -0.672 174.776 175.510 -0.104 0.000 1.199 382 N CA -0.253 52.731 53.050 -0.111 0.000 0.879 382 N CB 0.286 38.733 38.487 -0.067 0.000 1.159 382 N HN 0.264 nan 8.380 nan 0.000 0.514 383 N N -1.000 117.627 118.700 -0.121 0.000 2.514 383 N HA 0.183 4.923 4.740 -0.001 0.000 0.277 383 N C 1.376 176.823 175.510 -0.104 0.000 1.126 383 N CA -0.111 52.881 53.050 -0.096 0.000 0.978 383 N CB 1.105 39.538 38.487 -0.090 0.000 1.106 383 N HN 0.058 nan 8.380 nan 0.000 0.461 384 G N 3.256 112.003 108.800 -0.088 0.000 2.492 384 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.214 384 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.214 384 G C 1.283 176.133 174.900 -0.082 0.000 1.147 384 G CA 0.256 45.296 45.100 -0.101 0.000 0.809 384 G HN 0.530 nan 8.290 nan 0.000 0.533 385 I N 1.432 121.970 120.570 -0.053 0.000 2.142 385 I HA -0.102 4.067 4.170 -0.001 0.000 0.240 385 I C 2.521 178.645 176.117 0.012 0.000 1.078 385 I CA 1.239 62.531 61.300 -0.012 0.000 1.343 385 I CB -0.978 37.024 38.000 0.003 0.000 1.046 385 I HN 0.183 nan 8.210 nan 0.000 0.405 386 K N 0.594 120.985 120.400 -0.014 0.000 2.147 386 K HA -0.152 4.168 4.320 -0.001 0.000 0.205 386 K C 1.746 178.349 176.600 0.005 0.000 1.049 386 K CA 1.120 57.401 56.287 -0.010 0.000 0.936 386 K CB -0.172 32.288 32.500 -0.067 0.000 0.722 386 K HN 0.351 nan 8.250 nan 0.000 0.446 387 N N 0.765 119.446 118.700 -0.032 0.000 2.300 387 N HA -0.117 4.623 4.740 -0.001 0.000 0.179 387 N C 1.682 177.347 175.510 0.259 0.000 1.016 387 N CA 0.668 53.748 53.050 0.050 0.000 0.876 387 N CB -0.114 38.345 38.487 -0.047 0.000 0.979 387 N HN 0.188 nan 8.380 nan 0.000 0.432 388 R N 1.370 121.941 120.500 0.119 0.000 2.061 388 R HA -0.089 4.250 4.340 -0.001 0.000 0.230 388 R C 0.744 177.222 176.300 0.296 0.000 1.140 388 R CA 1.446 57.641 56.100 0.158 0.000 0.940 388 R CB -0.228 30.078 30.300 0.010 0.000 0.839 388 R HN 0.064 nan 8.270 nan 0.000 0.429 389 D N -0.393 120.148 120.400 0.236 0.000 2.123 389 D HA -0.110 4.530 4.640 -0.001 0.000 0.196 389 D C 1.753 178.207 176.300 0.256 0.000 0.992 389 D CA 1.560 55.707 54.000 0.245 0.000 0.833 389 D CB -0.641 40.273 40.800 0.190 0.000 0.954 389 D HN 0.532 nan 8.370 nan 0.000 0.455 390 G N 0.606 109.569 108.800 0.273 0.000 2.422 390 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.218 390 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.218 390 G C 1.551 176.618 174.900 0.278 0.000 1.146 390 G CA 0.291 45.599 45.100 0.348 0.000 0.769 390 G HN 0.203 nan 8.290 nan 0.000 0.547 391 L N 0.703 122.092 121.223 0.277 0.000 2.156 391 L HA 0.079 4.419 4.340 -0.001 0.000 0.208 391 L C 2.158 179.089 176.870 0.102 0.000 1.095 391 L CA 1.555 56.455 54.840 0.100 0.000 0.770 391 L CB -0.358 41.826 42.059 0.207 0.000 0.914 391 L HN 0.134 nan 8.230 nan 0.000 0.439 392 D N -0.553 119.965 120.400 0.197 0.000 2.117 392 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 392 D C 1.490 177.871 176.300 0.135 0.000 0.982 392 D CA 1.106 55.217 54.000 0.185 0.000 0.828 392 D CB 0.194 41.153 40.800 0.264 0.000 0.967 392 D HN 0.310 nan 8.370 nan 0.000 0.464 393 D N -0.158 120.328 120.400 0.143 0.000 2.178 393 D HA -0.048 4.591 4.640 -0.001 0.000 0.202 393 D C 2.250 178.543 176.300 -0.013 0.000 0.974 393 D CA 0.263 54.354 54.000 0.152 0.000 0.841 393 D CB -0.066 40.918 40.800 0.307 0.000 0.953 393 D HN 0.358 nan 8.370 nan 0.000 0.478 394 I N 0.200 120.634 120.570 -0.227 0.000 2.163 394 I HA -0.224 3.945 4.170 -0.001 0.000 0.240 394 I C 2.339 178.373 176.117 -0.138 0.000 1.081 394 I CA 0.614 61.729 61.300 -0.308 0.000 1.353 394 I CB -0.137 37.678 38.000 -0.309 0.000 1.054 394 I HN -0.116 nan 8.210 nan 0.000 0.407 395 V N 1.000 120.876 119.914 -0.063 0.000 2.332 395 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 395 V C 2.508 178.581 176.094 -0.036 0.000 1.055 395 V CA 2.277 64.570 62.300 -0.012 0.000 1.038 395 V CB -1.498 30.366 31.823 0.069 0.000 0.651 395 V HN 0.595 nan 8.190 nan 0.000 0.450 396 G N -0.628 108.178 108.800 0.011 0.000 2.394 396 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.214 396 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.214 396 G C 1.236 176.096 174.900 -0.067 0.000 1.176 396 G CA 0.864 45.977 45.100 0.021 0.000 0.786 396 G HN 0.480 nan 8.290 nan 0.000 0.533 397 D N -0.104 120.263 120.400 -0.055 0.000 2.104 397 D HA -0.119 4.521 4.640 -0.001 0.000 0.194 397 D C 2.082 178.101 176.300 -0.468 0.000 0.994 397 D CA 1.394 55.338 54.000 -0.093 0.000 0.830 397 D CB -0.451 40.456 40.800 0.178 0.000 0.959 397 D HN 0.447 nan 8.370 nan 0.000 0.452 398 H N 0.558 119.061 119.070 -0.945 0.000 2.357 398 H HA 0.045 4.601 4.556 -0.001 0.000 0.301 398 H C 1.440 176.373 175.328 -0.658 0.000 1.082 398 H CA 1.682 56.964 56.048 -1.277 0.000 1.342 398 H CB 0.084 28.911 29.762 -1.559 0.000 1.389 398 H HN 0.009 nan 8.280 nan 0.000 0.511 399 N N -0.753 117.543 118.700 -0.674 0.000 2.392 399 N HA 0.014 4.754 4.740 -0.001 0.000 0.177 399 N C 0.907 176.175 175.510 -0.402 0.000 1.066 399 N CA 0.961 53.583 53.050 -0.713 0.000 0.895 399 N CB 1.326 39.108 38.487 -1.175 0.000 0.988 399 N HN 0.276 nan 8.380 nan 0.000 0.457 400 V N 0.287 120.049 119.914 -0.253 0.000 3.442 400 V HA 0.155 4.274 4.120 -0.001 0.000 0.205 400 V C 2.008 178.066 176.094 -0.059 0.000 1.320 400 V CA -0.097 62.162 62.300 -0.067 0.000 1.306 400 V CB 0.237 32.102 31.823 0.071 0.000 1.267 400 V HN -0.062 nan 8.190 nan 0.000 0.538 401 I N 0.697 121.249 120.570 -0.029 0.000 2.179 401 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 401 I C 2.405 178.513 176.117 -0.015 0.000 1.088 401 I CA 1.884 63.189 61.300 0.009 0.000 1.357 401 I CB -0.406 37.642 38.000 0.079 0.000 1.051 401 I HN 0.401 nan 8.210 nan 0.000 0.409 402 c N 0.312 118.880 118.600 -0.053 0.000 2.464 402 c HA 0.040 4.610 4.570 -0.001 0.000 0.278 402 c C 0.080 174.160 174.090 -0.017 0.000 1.375 402 c CA 0.289 56.618 56.329 -0.000 0.000 1.761 402 c CB -1.522 41.027 42.510 0.064 0.000 1.944 402 c HN 0.351 nan 8.230 nan 0.000 0.509 403 P HA -0.036 nan 4.420 nan 0.000 0.220 403 P C 1.725 179.019 177.300 -0.010 0.000 1.152 403 P CA 0.811 63.851 63.100 -0.100 0.000 0.812 403 P CB -0.112 31.434 31.700 -0.257 0.000 0.792 404 L N -1.538 119.659 121.223 -0.043 0.000 2.056 404 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 404 L C 1.995 178.888 176.870 0.040 0.000 1.078 404 L CA 1.684 56.515 54.840 -0.014 0.000 0.749 404 L CB -0.562 41.467 42.059 -0.050 0.000 0.901 404 L HN -0.106 nan 8.230 nan 0.000 0.433 405 M N -1.139 118.479 119.600 0.031 0.000 2.296 405 M HA -0.196 4.284 4.480 -0.001 0.000 0.265 405 M C 2.182 178.543 176.300 0.102 0.000 1.064 405 M CA 1.457 56.778 55.300 0.034 0.000 1.109 405 M CB -1.491 31.144 32.600 0.059 0.000 1.396 405 M HN 0.429 nan 8.290 nan 0.000 0.430 406 H N -0.185 118.911 119.070 0.044 0.000 2.333 406 H HA -0.134 4.421 4.556 -0.001 0.000 0.302 406 H C 1.802 177.183 175.328 0.089 0.000 1.075 406 H CA 1.818 57.906 56.048 0.065 0.000 1.348 406 H CB -0.327 29.465 29.762 0.049 0.000 1.393 406 H HN 0.222 nan 8.280 nan 0.000 0.509 407 F N 0.093 120.001 119.950 -0.070 0.000 2.069 407 F HA -0.189 4.338 4.527 -0.001 0.000 0.298 407 F C 2.524 178.245 175.800 -0.131 0.000 1.113 407 F CA 1.551 59.469 58.000 -0.137 0.000 1.214 407 F CB -0.984 37.934 39.000 -0.137 0.000 0.978 407 F HN 0.097 nan 8.300 nan 0.000 0.474 408 V N 1.173 121.029 119.914 -0.096 0.000 2.392 408 V HA -0.312 3.807 4.120 -0.001 0.000 0.249 408 V C 2.098 178.080 176.094 -0.186 0.000 1.059 408 V CA 2.478 64.612 62.300 -0.277 0.000 1.051 408 V CB -0.632 30.930 31.823 -0.434 0.000 0.658 408 V HN 0.448 nan 8.190 nan 0.000 0.455 409 N N -0.567 118.088 118.700 -0.075 0.000 2.354 409 N HA -0.062 4.678 4.740 -0.001 0.000 0.179 409 N C 1.735 177.235 175.510 -0.017 0.000 1.021 409 N CA 0.825 53.915 53.050 0.067 0.000 0.887 409 N CB -0.054 38.498 38.487 0.109 0.000 0.974 409 N HN 0.512 nan 8.380 nan 0.000 0.437 410 K N 0.247 120.564 120.400 -0.139 0.000 2.067 410 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 410 K C 1.899 178.497 176.600 -0.004 0.000 1.048 410 K CA 0.413 56.642 56.287 -0.097 0.000 0.954 410 K CB -0.557 31.824 32.500 -0.197 0.000 0.737 410 K HN 0.162 nan 8.250 nan 0.000 0.444 411 Y N 2.719 122.787 120.300 -0.386 0.000 2.097 411 Y HA -0.268 4.282 4.550 -0.001 0.000 0.282 411 Y C 2.409 178.293 175.900 -0.026 0.000 1.152 411 Y CA 2.050 59.888 58.100 -0.437 0.000 1.136 411 Y CB -0.551 37.309 38.460 -0.999 0.000 0.975 411 Y HN 0.015 nan 8.280 nan 0.000 0.498 412 T N -0.383 114.241 114.554 0.116 0.000 2.760 412 T HA -0.295 4.055 4.350 -0.001 0.000 0.269 412 T C 2.024 176.731 174.700 0.011 0.000 1.047 412 T CA 1.761 63.945 62.100 0.140 0.000 1.139 412 T CB -0.393 68.638 68.868 0.272 0.000 0.855 412 T HN 0.205 nan 8.240 nan 0.000 0.471 413 K N 0.263 120.623 120.400 -0.066 0.000 2.063 413 K HA -0.063 4.257 4.320 -0.001 0.000 0.208 413 K C 1.547 177.871 176.600 -0.460 0.000 1.048 413 K CA 1.277 57.386 56.287 -0.296 0.000 0.928 413 K CB -0.614 31.634 32.500 -0.419 0.000 0.713 413 K HN 0.649 nan 8.250 nan 0.000 0.442 414 F N -0.609 119.315 119.950 -0.044 0.000 2.678 414 F HA 0.403 4.929 4.527 -0.001 0.000 0.305 414 F C 1.419 177.116 175.800 -0.171 0.000 1.090 414 F CA -0.172 57.754 58.000 -0.124 0.000 1.272 414 F CB 0.101 38.951 39.000 -0.250 0.000 1.060 414 F HN 0.240 nan 8.300 nan 0.000 0.576 415 G N -0.124 108.635 108.800 -0.068 0.000 2.563 415 G HA2 0.051 4.011 3.960 -0.001 0.000 0.283 415 G HA3 0.051 4.011 3.960 -0.001 0.000 0.283 415 G C -0.005 174.944 174.900 0.082 0.000 1.309 415 G CA -0.481 44.568 45.100 -0.085 0.000 1.022 415 G HN 0.233 nan 8.290 nan 0.000 0.501 416 N N -0.210 118.591 118.700 0.169 0.000 2.541 416 N HA 0.357 5.096 4.740 -0.001 0.000 0.297 416 N C 0.063 175.668 175.510 0.159 0.000 1.503 416 N CA 0.389 53.516 53.050 0.128 0.000 0.919 416 N CB 0.171 38.719 38.487 0.103 0.000 1.305 416 N HN 0.997 nan 8.380 nan 0.000 0.501 417 G N 1.079 109.979 108.800 0.167 0.000 3.160 417 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.573 417 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.573 417 G C -1.071 173.918 174.900 0.148 0.000 1.286 417 G CA -0.840 44.338 45.100 0.130 0.000 1.151 417 G HN 0.098 nan 8.290 nan 0.000 0.555 418 T N 2.095 116.633 114.554 -0.028 0.000 2.824 418 T HA 0.678 5.028 4.350 -0.001 0.000 0.282 418 T C -1.008 173.552 174.700 -0.233 0.000 0.993 418 T CA -0.263 61.839 62.100 0.002 0.000 0.967 418 T CB 1.173 70.108 68.868 0.112 0.000 0.960 418 T HN 0.416 nan 8.240 nan 0.000 0.441 419 Y N 2.224 122.512 120.300 -0.020 0.000 2.350 419 Y HA 0.660 5.209 4.550 -0.001 0.000 0.338 419 Y C -0.484 175.598 175.900 0.304 0.000 0.961 419 Y CA -1.145 56.954 58.100 -0.003 0.000 1.100 419 Y CB 1.543 39.566 38.460 -0.729 0.000 1.179 419 Y HN 0.413 nan 8.280 nan 0.000 0.454 420 L N 6.028 127.705 121.223 0.757 0.000 2.356 420 L HA 0.587 4.926 4.340 -0.001 0.000 0.277 420 L C -1.264 175.958 176.870 0.588 0.000 0.996 420 L CA -1.011 54.141 54.840 0.519 0.000 0.822 420 L CB 0.690 42.885 42.059 0.227 0.000 1.256 420 L HN 0.536 nan 8.230 nan 0.000 0.413 421 Y N 3.245 123.768 120.300 0.372 0.000 2.587 421 Y HA 0.754 5.304 4.550 -0.001 0.000 0.337 421 Y C -1.568 174.541 175.900 0.349 0.000 1.065 421 Y CA -1.848 56.388 58.100 0.226 0.000 1.126 421 Y CB 1.279 39.787 38.460 0.081 0.000 1.279 421 Y HN 0.519 nan 8.280 nan 0.000 0.489 422 F N 3.734 123.893 119.950 0.349 0.000 2.500 422 F HA 0.442 4.969 4.527 -0.001 0.000 0.349 422 F C -1.782 174.270 175.800 0.421 0.000 1.127 422 F CA -1.937 56.204 58.000 0.235 0.000 0.998 422 F CB 0.647 39.770 39.000 0.206 0.000 1.237 422 F HN 0.559 nan 8.300 nan 0.000 0.439 423 F N 7.606 127.579 119.950 0.038 0.000 2.445 423 F HA 0.302 4.829 4.527 -0.001 0.000 0.359 423 F C 0.074 175.720 175.800 -0.257 0.000 1.101 423 F CA -0.310 57.715 58.000 0.042 0.000 1.177 423 F CB 0.547 39.666 39.000 0.200 0.000 1.110 423 F HN 0.539 nan 8.300 nan 0.000 0.522 424 N N 3.662 121.984 118.700 -0.630 0.000 2.646 424 N HA 0.122 4.862 4.740 -0.001 0.000 0.303 424 N C -1.591 173.662 175.510 -0.430 0.000 1.921 424 N CA -0.563 52.220 53.050 -0.445 0.000 0.872 424 N CB -0.418 38.003 38.487 -0.111 0.000 1.327 424 N HN 0.645 nan 8.380 nan 0.000 0.492 425 H N -0.054 118.474 119.070 -0.904 0.000 2.547 425 H HA 0.477 5.033 4.556 -0.001 0.000 0.342 425 H C -0.914 174.250 175.328 -0.275 0.000 1.048 425 H CA -0.581 55.124 56.048 -0.572 0.000 1.204 425 H CB 1.439 30.772 29.762 -0.715 0.000 1.493 425 H HN 0.154 nan 8.280 nan 0.000 0.511 426 R N 3.899 124.036 120.500 -0.604 0.000 2.202 426 R HA 0.533 4.872 4.340 -0.001 0.000 0.334 426 R C -0.452 175.682 176.300 -0.277 0.000 1.036 426 R CA -0.558 55.380 56.100 -0.270 0.000 0.878 426 R CB 0.412 30.602 30.300 -0.183 0.000 1.067 426 R HN 0.814 nan 8.270 nan 0.000 0.457 427 A N 2.641 125.571 122.820 0.183 0.000 2.555 427 A HA -0.045 4.275 4.320 -0.001 0.000 0.233 427 A C 1.414 179.118 177.584 0.200 0.000 1.060 427 A CA 0.652 52.965 52.037 0.459 0.000 0.759 427 A CB 0.339 19.734 19.000 0.658 0.000 0.995 427 A HN 0.999 nan 8.150 nan 0.000 0.506 428 S N 1.351 117.195 115.700 0.240 0.000 2.399 428 S HA -0.176 4.294 4.470 -0.001 0.000 0.231 428 S C 0.957 175.561 174.600 0.007 0.000 1.022 428 S CA 1.282 59.541 58.200 0.099 0.000 0.983 428 S CB -0.485 62.790 63.200 0.126 0.000 0.803 428 S HN 0.941 nan 8.310 nan 0.000 0.480 429 N N 1.088 119.746 118.700 -0.069 0.000 2.327 429 N HA 0.230 4.970 4.740 -0.001 0.000 0.231 429 N C -0.204 175.254 175.510 -0.086 0.000 1.130 429 N CA -0.305 52.658 53.050 -0.145 0.000 0.845 429 N CB -0.624 37.659 38.487 -0.339 0.000 1.073 429 N HN 0.442 nan 8.380 nan 0.000 0.496 430 L N 1.153 122.376 121.223 0.000 0.000 2.455 430 L HA 0.066 4.405 4.340 -0.001 0.000 0.272 430 L C 0.979 177.850 176.870 0.002 0.000 1.174 430 L CA -0.424 54.439 54.840 0.038 0.000 0.869 430 L CB 0.979 43.070 42.059 0.054 0.000 1.130 430 L HN 0.139 nan 8.230 nan 0.000 0.474 431 V N -0.124 119.762 119.914 -0.047 0.000 3.331 431 V HA 0.178 4.298 4.120 -0.001 0.000 0.332 431 V C -0.139 175.964 176.094 0.016 0.000 1.341 431 V CA -0.658 61.609 62.300 -0.055 0.000 1.218 431 V CB -1.226 30.515 31.823 -0.136 0.000 1.152 431 V HN 0.578 nan 8.190 nan 0.000 0.445 432 W N 1.072 122.397 121.300 0.043 0.000 2.578 432 W HA 0.630 5.290 4.660 -0.001 0.000 0.346 432 W C -2.061 174.377 176.519 -0.136 0.000 1.075 432 W CA -2.565 54.769 57.345 -0.018 0.000 1.233 432 W CB 1.110 30.490 29.460 -0.134 0.000 1.358 432 W HN -0.075 nan 8.180 nan 0.000 0.574 433 P HA -0.060 nan 4.420 nan 0.000 0.266 433 P C 0.330 177.565 177.300 -0.108 0.000 1.195 433 P CA 0.396 63.478 63.100 -0.028 0.000 0.768 433 P CB 1.250 32.970 31.700 0.033 0.000 0.838 434 E N 3.016 123.228 120.200 0.019 0.000 2.187 434 E HA -0.197 4.152 4.350 -0.001 0.000 0.199 434 E C 1.619 178.256 176.600 0.063 0.000 1.004 434 E CA 1.788 58.210 56.400 0.036 0.000 0.813 434 E CB -0.530 29.220 29.700 0.083 0.000 0.736 434 E HN 0.660 nan 8.360 nan 0.000 0.468 435 W N -0.904 120.439 121.300 0.071 0.000 2.468 435 W HA -0.111 4.548 4.660 -0.001 0.000 0.262 435 W C 1.211 177.785 176.519 0.091 0.000 1.241 435 W CA 0.471 57.867 57.345 0.084 0.000 1.232 435 W CB -0.714 28.806 29.460 0.099 0.000 1.124 435 W HN 0.079 nan 8.180 nan 0.000 0.597 436 M N 1.244 120.530 119.600 -0.523 0.000 2.558 436 M HA 0.134 4.613 4.480 -0.001 0.000 0.255 436 M C 1.725 177.902 176.300 -0.205 0.000 1.113 436 M CA 1.443 56.384 55.300 -0.599 0.000 1.097 436 M CB -0.508 31.570 32.600 -0.871 0.000 1.426 436 M HN 0.157 nan 8.290 nan 0.000 0.488 437 G N 0.480 109.224 108.800 -0.093 0.000 2.574 437 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.286 437 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.286 437 G C -0.213 174.664 174.900 -0.038 0.000 1.212 437 G CA -0.260 44.825 45.100 -0.026 0.000 0.979 437 G HN 0.196 nan 8.290 nan 0.000 0.557 438 V N 1.944 121.860 119.914 0.004 0.000 2.299 438 V HA 0.389 4.509 4.120 -0.001 0.000 0.255 438 V C 1.071 177.233 176.094 0.115 0.000 1.100 438 V CA -0.023 62.312 62.300 0.057 0.000 0.938 438 V CB -0.058 31.776 31.823 0.018 0.000 1.139 438 V HN 0.534 nan 8.190 nan 0.000 0.490 439 I N 2.895 123.517 120.570 0.088 0.000 2.779 439 I HA 0.172 4.342 4.170 -0.001 0.000 0.285 439 I C 0.884 177.191 176.117 0.318 0.000 1.134 439 I CA -0.549 60.816 61.300 0.108 0.000 1.398 439 I CB 0.243 38.155 38.000 -0.146 0.000 1.404 439 I HN 0.543 nan 8.210 nan 0.000 0.587 440 H N 3.694 122.823 119.070 0.099 0.000 3.094 440 H HA 0.154 4.710 4.556 -0.001 0.000 0.320 440 H C 1.050 176.367 175.328 -0.019 0.000 1.000 440 H CA 1.135 57.206 56.048 0.039 0.000 1.413 440 H CB 0.307 30.042 29.762 -0.046 0.000 1.405 440 H HN 0.766 nan 8.280 nan 0.000 0.586 441 G N 3.434 112.097 108.800 -0.228 0.000 2.179 441 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.260 441 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.260 441 G C 0.510 175.312 174.900 -0.163 0.000 0.977 441 G CA 0.540 45.456 45.100 -0.307 0.000 0.641 441 G HN 0.656 nan 8.290 nan 0.000 0.533 442 Y N 1.054 121.444 120.300 0.151 0.000 2.468 442 Y HA 0.239 4.788 4.550 -0.001 0.000 0.268 442 Y C 2.295 178.329 175.900 0.223 0.000 1.177 442 Y CA 0.845 59.111 58.100 0.277 0.000 1.265 442 Y CB 0.427 39.085 38.460 0.331 0.000 1.103 442 Y HN 0.515 nan 8.280 nan 0.000 0.522 443 E N 0.068 120.236 120.200 -0.053 0.000 2.307 443 E HA -0.055 4.295 4.350 -0.001 0.000 0.195 443 E C 1.759 178.282 176.600 -0.128 0.000 0.975 443 E CA 0.608 56.676 56.400 -0.554 0.000 0.878 443 E CB -0.495 28.654 29.700 -0.918 0.000 0.845 443 E HN 0.484 nan 8.360 nan 0.000 0.488 444 I N 2.777 123.357 120.570 0.017 0.000 2.113 444 I HA -0.356 3.814 4.170 -0.001 0.000 0.242 444 I C 2.659 178.811 176.117 0.059 0.000 1.057 444 I CA 2.500 63.863 61.300 0.106 0.000 1.314 444 I CB -0.601 37.507 38.000 0.179 0.000 1.022 444 I HN 0.282 nan 8.210 nan 0.000 0.408 445 E N 0.567 120.756 120.200 -0.018 0.000 2.265 445 E HA -0.210 4.139 4.350 -0.001 0.000 0.196 445 E C 1.962 178.366 176.600 -0.327 0.000 0.996 445 E CA 1.306 57.603 56.400 -0.171 0.000 0.832 445 E CB -0.396 29.193 29.700 -0.184 0.000 0.756 445 E HN 0.445 nan 8.360 nan 0.000 0.491 446 F N 0.900 120.737 119.950 -0.187 0.000 2.317 446 F HA 0.017 4.543 4.527 -0.001 0.000 0.293 446 F C 2.259 177.878 175.800 -0.302 0.000 1.085 446 F CA 0.395 58.247 58.000 -0.247 0.000 1.390 446 F CB -0.058 38.829 39.000 -0.187 0.000 1.077 446 F HN -0.130 nan 8.300 nan 0.000 0.517 447 V N -1.043 118.764 119.914 -0.177 0.000 2.626 447 V HA -0.254 3.865 4.120 -0.001 0.000 0.252 447 V C 1.430 177.325 176.094 -0.332 0.000 1.067 447 V CA 1.558 63.619 62.300 -0.398 0.000 1.081 447 V CB -0.660 30.918 31.823 -0.409 0.000 0.686 447 V HN 0.213 nan 8.190 nan 0.000 0.468 448 F N 0.159 119.956 119.950 -0.255 0.000 2.664 448 F HA 0.455 4.981 4.527 -0.001 0.000 0.303 448 F C 1.751 177.423 175.800 -0.213 0.000 1.092 448 F CA 0.504 58.380 58.000 -0.207 0.000 1.305 448 F CB 0.025 38.873 39.000 -0.253 0.000 1.054 448 F HN 0.224 nan 8.300 nan 0.000 0.565 449 G N 0.339 109.031 108.800 -0.181 0.000 2.160 449 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.251 449 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.251 449 G C 1.141 175.669 174.900 -0.621 0.000 1.008 449 G CA 0.373 45.286 45.100 -0.312 0.000 0.724 449 G HN 0.266 nan 8.290 nan 0.000 0.514 450 L N -0.160 120.670 121.223 -0.655 0.000 2.083 450 L HA -0.027 4.313 4.340 -0.001 0.000 0.209 450 L C 0.074 176.503 176.870 -0.736 0.000 1.083 450 L CA 2.335 56.746 54.840 -0.715 0.000 0.752 450 L CB -1.854 39.918 42.059 -0.478 0.000 0.899 450 L HN 0.145 nan 8.230 nan 0.000 0.433 451 P HA -0.113 nan 4.420 nan 0.000 0.234 451 P C 1.749 178.791 177.300 -0.430 0.000 1.162 451 P CA 0.937 63.420 63.100 -1.029 0.000 0.759 451 P CB 0.048 31.094 31.700 -1.089 0.000 0.813 452 L N -1.971 119.016 121.223 -0.394 0.000 2.298 452 L HA 0.077 4.417 4.340 -0.001 0.000 0.209 452 L C 1.164 177.936 176.870 -0.163 0.000 1.084 452 L CA 0.321 55.027 54.840 -0.223 0.000 0.816 452 L CB -0.458 41.492 42.059 -0.180 0.000 0.967 452 L HN -0.156 nan 8.230 nan 0.000 0.460 453 V N 2.095 121.867 119.914 -0.237 0.000 2.381 453 V HA 0.044 4.164 4.120 -0.001 0.000 0.257 453 V C 1.414 177.481 176.094 -0.044 0.000 1.057 453 V CA -0.385 61.846 62.300 -0.117 0.000 1.013 453 V CB 0.450 32.191 31.823 -0.136 0.000 1.069 453 V HN 0.223 nan 8.190 nan 0.000 0.484 454 K N 4.532 124.920 120.400 -0.020 0.000 2.160 454 K HA -0.187 4.133 4.320 -0.001 0.000 0.206 454 K C 1.443 178.041 176.600 -0.003 0.000 1.047 454 K CA 1.756 58.044 56.287 0.002 0.000 0.930 454 K CB -0.212 32.287 32.500 -0.001 0.000 0.720 454 K HN 0.872 nan 8.250 nan 0.000 0.450 455 E N 0.579 120.771 120.200 -0.014 0.000 2.533 455 E HA -0.040 4.310 4.350 -0.001 0.000 0.201 455 E C 1.228 177.806 176.600 -0.037 0.000 1.097 455 E CA 0.320 56.705 56.400 -0.024 0.000 0.887 455 E CB -0.211 29.475 29.700 -0.024 0.000 0.855 455 E HN 0.245 nan 8.360 nan 0.000 0.540 456 L N -0.582 120.628 121.223 -0.021 0.000 2.664 456 L HA 0.212 4.552 4.340 -0.001 0.000 0.233 456 L C -0.207 176.577 176.870 -0.143 0.000 1.113 456 L CA -0.068 54.741 54.840 -0.051 0.000 0.896 456 L CB -0.290 41.810 42.059 0.069 0.000 1.163 456 L HN 0.157 nan 8.230 nan 0.000 0.497 457 N N -1.395 117.267 118.700 -0.064 0.000 2.780 457 N HA -0.222 4.518 4.740 -0.001 0.000 0.248 457 N C -0.589 174.858 175.510 -0.105 0.000 1.102 457 N CA 0.204 53.202 53.050 -0.086 0.000 0.697 457 N CB -1.395 37.014 38.487 -0.129 0.000 1.028 457 N HN 0.265 nan 8.380 nan 0.000 0.554 458 Y N 0.571 120.851 120.300 -0.034 0.000 2.340 458 Y HA 0.392 4.942 4.550 -0.001 0.000 0.327 458 Y C 1.652 177.566 175.900 0.022 0.000 1.321 458 Y CA -0.071 58.031 58.100 0.003 0.000 1.433 458 Y CB 0.629 39.065 38.460 -0.040 0.000 1.373 458 Y HN 0.053 nan 8.280 nan 0.000 0.538 459 T N -2.032 112.670 114.554 0.246 0.000 2.918 459 T HA 0.517 4.867 4.350 -0.001 0.000 0.283 459 T C 1.101 175.873 174.700 0.119 0.000 1.001 459 T CA -0.325 61.866 62.100 0.151 0.000 1.041 459 T CB 1.446 70.403 68.868 0.149 0.000 1.028 459 T HN 0.777 nan 8.240 nan 0.000 0.511 460 A N 1.688 124.554 122.820 0.076 0.000 1.903 460 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 460 A C 2.259 179.870 177.584 0.044 0.000 1.191 460 A CA 1.882 53.948 52.037 0.049 0.000 0.638 460 A CB -0.887 18.134 19.000 0.036 0.000 0.823 460 A HN 0.968 nan 8.150 nan 0.000 0.451 461 E N 0.207 120.439 120.200 0.053 0.000 2.268 461 E HA -0.181 4.168 4.350 -0.001 0.000 0.195 461 E C 1.503 178.118 176.600 0.024 0.000 0.995 461 E CA 1.225 57.644 56.400 0.031 0.000 0.836 461 E CB -0.507 29.212 29.700 0.030 0.000 0.763 461 E HN 0.815 nan 8.360 nan 0.000 0.491 462 E N 0.931 121.184 120.200 0.089 0.000 2.158 462 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 462 E C 2.024 178.688 176.600 0.106 0.000 0.982 462 E CA 0.390 56.891 56.400 0.168 0.000 0.823 462 E CB 0.072 29.998 29.700 0.377 0.000 0.766 462 E HN 0.337 nan 8.360 nan 0.000 0.468 463 E N 0.866 121.085 120.200 0.031 0.000 2.072 463 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 463 E C 2.039 178.624 176.600 -0.025 0.000 0.985 463 E CA 0.855 57.230 56.400 -0.040 0.000 0.801 463 E CB -0.004 29.679 29.700 -0.029 0.000 0.750 463 E HN 0.176 nan 8.360 nan 0.000 0.452 464 A N 1.562 124.377 122.820 -0.007 0.000 1.849 464 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 464 A C 2.195 179.766 177.584 -0.020 0.000 1.202 464 A CA 1.771 53.797 52.037 -0.019 0.000 0.629 464 A CB -1.096 17.895 19.000 -0.015 0.000 0.834 464 A HN 0.389 nan 8.150 nan 0.000 0.447 465 L N -0.050 121.169 121.223 -0.006 0.000 2.089 465 L HA -0.175 4.165 4.340 -0.001 0.000 0.213 465 L C 2.563 179.468 176.870 0.059 0.000 1.079 465 L CA 2.662 57.503 54.840 0.002 0.000 0.758 465 L CB -0.805 41.214 42.059 -0.067 0.000 0.891 465 L HN 0.410 nan 8.230 nan 0.000 0.433 466 S N -0.733 115.024 115.700 0.095 0.000 2.343 466 S HA -0.205 4.264 4.470 -0.001 0.000 0.219 466 S C 2.122 176.692 174.600 -0.050 0.000 1.033 466 S CA 1.398 59.617 58.200 0.032 0.000 1.014 466 S CB -0.205 62.912 63.200 -0.138 0.000 0.915 466 S HN 0.543 nan 8.310 nan 0.000 0.435 467 R N 0.427 120.893 120.500 -0.058 0.000 2.119 467 R HA -0.112 4.228 4.340 -0.001 0.000 0.246 467 R C 2.684 178.943 176.300 -0.068 0.000 1.146 467 R CA 1.840 57.906 56.100 -0.056 0.000 0.962 467 R CB -0.327 29.938 30.300 -0.058 0.000 0.863 467 R HN 0.393 nan 8.270 nan 0.000 0.442 468 R N 0.224 120.661 120.500 -0.105 0.000 2.081 468 R HA -0.061 4.278 4.340 -0.001 0.000 0.235 468 R C 2.327 178.501 176.300 -0.211 0.000 1.131 468 R CA 1.369 57.333 56.100 -0.225 0.000 0.960 468 R CB -0.247 29.913 30.300 -0.232 0.000 0.856 468 R HN 0.244 nan 8.270 nan 0.000 0.436 469 I N 0.447 120.965 120.570 -0.087 0.000 2.252 469 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 469 I C 2.337 178.384 176.117 -0.115 0.000 1.102 469 I CA 1.306 62.539 61.300 -0.112 0.000 1.385 469 I CB -0.193 37.593 38.000 -0.357 0.000 1.064 469 I HN 0.214 nan 8.210 nan 0.000 0.414 470 M N -0.565 118.972 119.600 -0.104 0.000 2.213 470 M HA -0.232 4.248 4.480 -0.001 0.000 0.263 470 M C 2.354 178.728 176.300 0.123 0.000 1.062 470 M CA 1.681 56.959 55.300 -0.036 0.000 1.105 470 M CB -0.730 31.850 32.600 -0.033 0.000 1.385 470 M HN 0.261 nan 8.290 nan 0.000 0.417 471 H N -0.284 118.793 119.070 0.012 0.000 2.333 471 H HA -0.123 4.432 4.556 -0.001 0.000 0.302 471 H C 1.641 177.089 175.328 0.201 0.000 1.075 471 H CA 1.899 57.971 56.048 0.041 0.000 1.348 471 H CB -0.060 29.666 29.762 -0.061 0.000 1.393 471 H HN 0.222 nan 8.280 nan 0.000 0.509 472 Y N -0.531 119.957 120.300 0.313 0.000 2.114 472 Y HA -0.304 4.246 4.550 -0.001 0.000 0.282 472 Y C 2.579 178.689 175.900 0.349 0.000 1.165 472 Y CA 1.215 59.537 58.100 0.371 0.000 1.148 472 Y CB -1.086 37.808 38.460 0.723 0.000 0.972 472 Y HN 0.395 nan 8.280 nan 0.000 0.504 473 W N -0.723 120.674 121.300 0.162 0.000 2.354 473 W HA -0.209 4.451 4.660 -0.001 0.000 0.315 473 W C 2.608 179.110 176.519 -0.028 0.000 1.206 473 W CA 1.054 58.419 57.345 0.034 0.000 1.290 473 W CB -0.550 28.888 29.460 -0.036 0.000 1.152 473 W HN 0.063 nan 8.180 nan 0.000 0.489 474 A N 0.270 123.184 122.820 0.157 0.000 1.855 474 A HA -0.174 4.145 4.320 -0.001 0.000 0.215 474 A C 1.782 179.326 177.584 -0.067 0.000 1.191 474 A CA 2.335 54.374 52.037 0.004 0.000 0.613 474 A CB -1.386 17.605 19.000 -0.014 0.000 0.829 474 A HN 0.184 nan 8.150 nan 0.000 0.442 475 T N -0.711 113.748 114.554 -0.158 0.000 2.897 475 T HA -0.138 4.212 4.350 -0.001 0.000 0.271 475 T C 1.473 176.106 174.700 -0.112 0.000 1.084 475 T CA 1.606 63.584 62.100 -0.203 0.000 1.123 475 T CB -0.373 68.299 68.868 -0.326 0.000 0.865 475 T HN 0.506 nan 8.240 nan 0.000 0.496 476 F N 1.841 121.675 119.950 -0.194 0.000 2.187 476 F HA 0.256 4.783 4.527 -0.001 0.000 0.295 476 F C 2.362 178.046 175.800 -0.192 0.000 1.091 476 F CA 0.614 58.454 58.000 -0.267 0.000 1.308 476 F CB -0.645 38.127 39.000 -0.381 0.000 1.030 476 F HN 0.117 nan 8.300 nan 0.000 0.487 477 A N 1.069 123.791 122.820 -0.164 0.000 1.892 477 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 477 A C 2.218 179.657 177.584 -0.241 0.000 1.188 477 A CA 2.262 54.176 52.037 -0.205 0.000 0.631 477 A CB -0.766 18.175 19.000 -0.098 0.000 0.822 477 A HN 0.511 nan 8.150 nan 0.000 0.447 478 K N -1.200 119.089 120.400 -0.184 0.000 2.155 478 K HA -0.064 4.256 4.320 -0.001 0.000 0.203 478 K C 1.768 178.264 176.600 -0.173 0.000 1.052 478 K CA 1.663 57.863 56.287 -0.146 0.000 0.948 478 K CB -0.160 32.277 32.500 -0.106 0.000 0.728 478 K HN 0.707 nan 8.250 nan 0.000 0.448 479 T N -4.441 109.973 114.554 -0.233 0.000 2.975 479 T HA 0.255 4.604 4.350 -0.001 0.000 0.261 479 T C 1.272 175.804 174.700 -0.280 0.000 0.984 479 T CA 0.362 62.337 62.100 -0.208 0.000 0.911 479 T CB 0.979 69.758 68.868 -0.147 0.000 1.127 479 T HN 0.283 nan 8.240 nan 0.000 0.514 480 G N 1.583 110.064 108.800 -0.531 0.000 2.159 480 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.256 480 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.256 480 G C -0.169 174.519 174.900 -0.354 0.000 0.977 480 G CA 0.120 44.848 45.100 -0.620 0.000 0.652 480 G HN 0.876 nan 8.290 nan 0.000 0.531 481 N N -0.303 118.206 118.700 -0.318 0.000 2.336 481 N HA 0.415 5.154 4.740 -0.001 0.000 0.290 481 N C -1.798 173.529 175.510 -0.306 0.000 1.058 481 N CA -1.303 51.559 53.050 -0.312 0.000 0.865 481 N CB 2.564 40.975 38.487 -0.126 0.000 1.581 481 N HN -0.059 nan 8.380 nan 0.000 0.480 482 P HA -0.032 nan 4.420 nan 0.000 0.222 482 P C -0.357 176.991 177.300 0.079 0.000 1.153 482 P CA 0.694 63.635 63.100 -0.265 0.000 0.798 482 P CB 0.425 31.660 31.700 -0.776 0.000 0.796 483 N N 1.268 119.992 118.700 0.039 0.000 2.524 483 N HA 0.079 4.819 4.740 -0.001 0.000 0.283 483 N C 0.678 176.261 175.510 0.122 0.000 1.142 483 N CA -0.276 52.890 53.050 0.194 0.000 0.984 483 N CB 0.989 39.586 38.487 0.182 0.000 1.155 483 N HN 0.073 nan 8.380 nan 0.000 0.467 491 K N 2.043 122.562 120.400 0.198 0.000 2.322 491 K HA 0.249 4.569 4.320 -0.001 0.000 0.283 491 K C -0.621 176.171 176.600 0.319 0.000 1.042 491 K CA -0.301 56.135 56.287 0.250 0.000 0.958 491 K CB 0.212 32.829 32.500 0.194 0.000 0.984 491 K HN 0.486 nan 8.250 nan 0.000 0.473 492 W N 5.848 127.228 121.300 0.133 0.000 2.416 492 W HA 0.311 4.970 4.660 -0.001 0.000 0.318 492 W C -2.767 173.881 176.519 0.215 0.000 1.150 492 W CA -3.336 54.080 57.345 0.117 0.000 1.392 492 W CB -0.570 28.874 29.460 -0.026 0.000 1.311 492 W HN 0.485 nan 8.180 nan 0.000 0.436 493 P HA -0.100 nan 4.420 nan 0.000 0.269 493 P C -0.419 177.062 177.300 0.302 0.000 1.211 493 P CA 0.011 63.310 63.100 0.333 0.000 0.781 493 P CB 0.606 32.432 31.700 0.211 0.000 0.877 494 L N 3.049 124.304 121.223 0.053 0.000 2.350 494 L HA 0.437 4.776 4.340 -0.001 0.000 0.275 494 L C -0.582 176.258 176.870 -0.050 0.000 1.099 494 L CA -0.416 54.264 54.840 -0.267 0.000 0.808 494 L CB 0.002 41.930 42.059 -0.218 0.000 1.149 494 L HN 0.164 nan 8.230 nan 0.000 0.442 495 F N 3.743 123.596 119.950 -0.162 0.000 2.410 495 F HA 0.579 5.106 4.527 -0.001 0.000 0.348 495 F C 0.025 175.806 175.800 -0.032 0.000 1.106 495 F CA -0.147 57.848 58.000 -0.008 0.000 1.163 495 F CB 0.830 39.861 39.000 0.051 0.000 1.129 495 F HN 0.645 nan 8.300 nan 0.000 0.516 496 T N 0.720 114.878 114.554 -0.660 0.000 2.907 496 T HA 0.273 4.623 4.350 -0.001 0.000 0.292 496 T C 0.945 175.256 174.700 -0.647 0.000 1.043 496 T CA -0.065 61.775 62.100 -0.433 0.000 1.003 496 T CB 1.319 70.049 68.868 -0.230 0.000 1.084 496 T HN 0.681 nan 8.240 nan 0.000 0.483 497 T N -1.191 113.194 114.554 -0.282 0.000 2.833 497 T HA -0.063 4.287 4.350 -0.001 0.000 0.269 497 T C 2.246 176.844 174.700 -0.169 0.000 1.054 497 T CA 1.556 63.558 62.100 -0.164 0.000 1.135 497 T CB -0.934 67.911 68.868 -0.039 0.000 0.869 497 T HN 0.911 nan 8.240 nan 0.000 0.466 498 K N 1.621 121.925 120.400 -0.161 0.000 2.001 498 K HA 0.014 4.334 4.320 -0.001 0.000 0.208 498 K C 2.270 178.798 176.600 -0.120 0.000 1.048 498 K CA 1.515 57.735 56.287 -0.111 0.000 0.932 498 K CB -0.766 31.683 32.500 -0.085 0.000 0.715 498 K HN 0.537 nan 8.250 nan 0.000 0.437 499 E N -0.365 119.732 120.200 -0.172 0.000 2.216 499 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 499 E C -0.054 176.447 176.600 -0.165 0.000 0.973 499 E CA 0.341 56.660 56.400 -0.135 0.000 0.851 499 E CB 0.603 30.235 29.700 -0.114 0.000 0.804 499 E HN 0.566 nan 8.360 nan 0.000 0.477 500 Q N 0.492 120.053 119.800 -0.399 0.000 2.494 500 Q HA -0.183 4.157 4.340 -0.001 0.000 0.272 500 Q C -0.430 175.575 176.000 0.010 0.000 1.145 500 Q CA 0.816 56.347 55.803 -0.454 0.000 0.943 500 Q CB -2.018 26.705 28.738 -0.024 0.000 1.338 500 Q HN 0.294 nan 8.270 nan 0.000 0.492 501 K N 0.457 120.851 120.400 -0.011 0.000 2.319 501 K HA 0.480 4.800 4.320 -0.001 0.000 0.265 501 K C 0.348 177.220 176.600 0.453 0.000 1.000 501 K CA 0.489 56.870 56.287 0.156 0.000 0.943 501 K CB 0.304 32.839 32.500 0.059 0.000 0.950 501 K HN 0.199 nan 8.250 nan 0.000 0.485 502 F N -0.643 119.456 119.950 0.247 0.000 2.779 502 F HA 0.618 5.145 4.527 -0.001 0.000 0.316 502 F C -1.236 174.629 175.800 0.108 0.000 1.164 502 F CA -1.496 56.660 58.000 0.258 0.000 0.924 502 F CB 0.765 39.926 39.000 0.269 0.000 1.348 502 F HN 0.410 nan 8.300 nan 0.000 0.467 503 I N -0.990 119.662 120.570 0.138 0.000 2.934 503 I HA 0.606 4.776 4.170 -0.001 0.000 0.306 503 I C -1.298 174.953 176.117 0.224 0.000 1.110 503 I CA -0.958 60.284 61.300 -0.097 0.000 1.019 503 I CB 2.160 39.917 38.000 -0.405 0.000 1.227 503 I HN 0.470 nan 8.210 nan 0.000 0.434 504 D N 3.364 123.883 120.400 0.198 0.000 2.313 504 D HA 0.411 5.050 4.640 -0.001 0.000 0.247 504 D C -0.823 175.576 176.300 0.166 0.000 1.094 504 D CA 0.010 54.207 54.000 0.329 0.000 0.925 504 D CB 2.506 43.481 40.800 0.291 0.000 1.188 504 D HN 0.308 nan 8.370 nan 0.000 0.430 505 L N 2.742 124.071 121.223 0.178 0.000 2.462 505 L HA 0.221 4.560 4.340 -0.001 0.000 0.255 505 L C -1.138 175.705 176.870 -0.045 0.000 1.076 505 L CA -0.412 54.506 54.840 0.131 0.000 0.920 505 L CB -0.036 42.200 42.059 0.294 0.000 1.214 505 L HN 0.405 nan 8.230 nan 0.000 0.472 506 N N -1.329 117.332 118.700 -0.065 0.000 2.853 506 N HA 0.322 5.061 4.740 -0.001 0.000 0.258 506 N C 0.536 175.966 175.510 -0.133 0.000 1.444 506 N CA -0.203 52.743 53.050 -0.173 0.000 0.837 506 N CB 0.487 38.929 38.487 -0.076 0.000 1.489 506 N HN 0.035 nan 8.380 nan 0.000 0.529 507 T N -3.871 110.551 114.554 -0.221 0.000 3.139 507 T HA 0.012 4.362 4.350 -0.001 0.000 0.267 507 T C 0.177 174.861 174.700 -0.027 0.000 1.164 507 T CA 0.512 62.527 62.100 -0.143 0.000 1.075 507 T CB -0.575 68.186 68.868 -0.179 0.000 0.904 507 T HN 0.425 nan 8.240 nan 0.000 0.540 508 E N 1.501 121.703 120.200 0.005 0.000 2.292 508 E HA 0.410 4.760 4.350 -0.001 0.000 0.258 508 E C -2.771 173.847 176.600 0.030 0.000 1.115 508 E CA -1.989 54.429 56.400 0.029 0.000 0.929 508 E CB 0.397 30.126 29.700 0.048 0.000 1.161 508 E HN 0.325 nan 8.360 nan 0.000 0.453 509 P HA 0.067 nan 4.420 nan 0.000 0.265 509 P C 0.063 177.384 177.300 0.035 0.000 1.222 509 P CA 0.214 63.335 63.100 0.035 0.000 0.767 509 P CB -0.072 31.646 31.700 0.031 0.000 0.801 510 M N 2.267 121.894 119.600 0.044 0.000 2.214 510 M HA 0.103 4.582 4.480 -0.001 0.000 0.306 510 M C -0.018 176.270 176.300 -0.020 0.000 0.998 510 M CA 0.642 55.960 55.300 0.030 0.000 1.071 510 M CB 0.350 32.985 32.600 0.057 0.000 1.466 510 M HN 0.080 nan 8.290 nan 0.000 0.433 511 K N 2.354 122.696 120.400 -0.096 0.000 2.532 511 K HA 0.686 5.005 4.320 -0.001 0.000 0.265 511 K C -1.999 174.317 176.600 -0.473 0.000 0.948 511 K CA -0.762 55.385 56.287 -0.234 0.000 0.842 511 K CB 2.228 34.601 32.500 -0.211 0.000 1.392 511 K HN 0.683 nan 8.250 nan 0.000 0.436 512 V N 4.159 123.766 119.914 -0.513 0.000 2.532 512 V HA 0.635 4.754 4.120 -0.001 0.000 0.295 512 V C -0.163 175.440 176.094 -0.819 0.000 1.041 512 V CA -0.511 61.462 62.300 -0.546 0.000 0.926 512 V CB 1.475 33.155 31.823 -0.239 0.000 0.992 512 V HN 0.944 nan 8.190 nan 0.000 0.457 513 H N 2.538 121.234 119.070 -0.623 0.000 2.931 513 H HA 0.652 5.208 4.556 -0.001 0.000 0.331 513 H C -1.147 173.882 175.328 -0.499 0.000 1.273 513 H CA -0.835 54.849 56.048 -0.608 0.000 1.171 513 H CB 2.140 31.394 29.762 -0.846 0.000 1.898 513 H HN 0.581 nan 8.280 nan 0.000 0.562 514 Q N 0.184 120.001 119.800 0.028 0.000 2.456 514 Q HA 0.426 4.765 4.340 -0.001 0.000 0.283 514 Q C -0.694 175.527 176.000 0.369 0.000 1.084 514 Q CA -0.989 54.934 55.803 0.199 0.000 0.801 514 Q CB 2.923 31.715 28.738 0.090 0.000 1.434 514 Q HN 0.456 nan 8.270 nan 0.000 0.419 515 R N 0.810 121.532 120.500 0.371 0.000 3.084 515 R HA -0.195 4.145 4.340 -0.001 0.000 0.258 515 R C -0.769 175.677 176.300 0.244 0.000 0.914 515 R CA -0.177 56.088 56.100 0.275 0.000 0.646 515 R CB -1.452 28.951 30.300 0.171 0.000 1.330 515 R HN 0.445 nan 8.270 nan 0.000 0.465 516 L N 2.628 123.934 121.223 0.139 0.000 2.615 516 L HA 0.014 4.354 4.340 -0.001 0.000 0.271 516 L C 0.741 177.570 176.870 -0.068 0.000 1.183 516 L CA 0.638 55.343 54.840 -0.225 0.000 0.933 516 L CB -0.072 41.611 42.059 -0.626 0.000 1.199 516 L HN 0.418 nan 8.230 nan 0.000 0.487 517 R N 2.566 123.035 120.500 -0.051 0.000 3.158 517 R HA -0.182 4.158 4.340 -0.001 0.000 0.244 517 R C 1.000 177.359 176.300 0.099 0.000 0.900 517 R CA 0.525 56.646 56.100 0.035 0.000 0.618 517 R CB -1.866 28.471 30.300 0.062 0.000 1.061 517 R HN 0.673 nan 8.270 nan 0.000 0.471 518 V N -0.912 119.060 119.914 0.097 0.000 2.283 518 V HA -0.290 3.829 4.120 -0.001 0.000 0.243 518 V C 2.376 178.544 176.094 0.124 0.000 1.039 518 V CA 1.945 64.315 62.300 0.117 0.000 1.016 518 V CB -0.446 31.439 31.823 0.103 0.000 0.650 518 V HN 0.370 nan 8.190 nan 0.000 0.449 519 Q N 0.026 119.881 119.800 0.092 0.000 2.012 519 Q HA -0.249 4.091 4.340 -0.001 0.000 0.211 519 Q C 2.234 178.307 176.000 0.123 0.000 1.009 519 Q CA 2.474 58.319 55.803 0.070 0.000 0.866 519 Q CB -0.451 28.298 28.738 0.018 0.000 0.945 519 Q HN 0.473 nan 8.270 nan 0.000 0.414 520 M N -0.904 118.792 119.600 0.159 0.000 2.065 520 M HA -0.190 4.289 4.480 -0.001 0.000 0.259 520 M C 2.486 179.078 176.300 0.488 0.000 1.069 520 M CA 1.326 56.816 55.300 0.317 0.000 1.110 520 M CB -1.534 31.311 32.600 0.407 0.000 1.328 520 M HN 0.374 nan 8.290 nan 0.000 0.405 521 c N -0.302 118.524 118.600 0.375 0.000 2.419 521 c HA -0.039 4.531 4.570 -0.001 0.000 0.283 521 c C 2.987 177.250 174.090 0.288 0.000 1.373 521 c CA 0.223 56.767 56.329 0.358 0.000 1.781 521 c CB -1.125 41.530 42.510 0.242 0.000 1.886 521 c HN 0.352 nan 8.230 nan 0.000 0.520 522 V N 0.601 120.658 119.914 0.238 0.000 2.427 522 V HA -0.196 3.923 4.120 -0.001 0.000 0.248 522 V C 2.086 178.305 176.094 0.207 0.000 1.051 522 V CA 2.069 64.483 62.300 0.190 0.000 1.048 522 V CB -0.779 31.133 31.823 0.148 0.000 0.666 522 V HN 0.550 nan 8.190 nan 0.000 0.456 523 F N 0.229 120.250 119.950 0.119 0.000 2.046 523 F HA -0.204 4.323 4.527 -0.001 0.000 0.297 523 F C 1.988 177.850 175.800 0.104 0.000 1.123 523 F CA 1.773 59.810 58.000 0.062 0.000 1.199 523 F CB -0.558 38.367 39.000 -0.126 0.000 0.972 523 F HN 0.178 nan 8.300 nan 0.000 0.474 524 W N 0.569 121.801 121.300 -0.114 0.000 2.418 524 W HA -0.094 4.565 4.660 -0.001 0.000 0.292 524 W C 2.251 178.694 176.519 -0.128 0.000 1.213 524 W CA 0.909 58.144 57.345 -0.182 0.000 1.283 524 W CB -0.562 28.963 29.460 0.108 0.000 1.119 524 W HN -0.021 nan 8.180 nan 0.000 0.542 525 N N -0.430 118.377 118.700 0.178 0.000 2.333 525 N HA -0.050 4.689 4.740 -0.001 0.000 0.178 525 N C 1.428 176.937 175.510 -0.001 0.000 1.018 525 N CA 1.107 54.177 53.050 0.033 0.000 0.882 525 N CB -0.222 38.297 38.487 0.053 0.000 0.984 525 N HN 0.383 nan 8.380 nan 0.000 0.434 526 Q N -1.157 118.672 119.800 0.048 0.000 2.606 526 Q HA 0.191 4.530 4.340 -0.001 0.000 0.215 526 Q C 1.328 177.355 176.000 0.044 0.000 0.908 526 Q CA -0.046 55.789 55.803 0.054 0.000 0.908 526 Q CB 0.020 28.822 28.738 0.106 0.000 1.120 526 Q HN 0.124 nan 8.270 nan 0.000 0.628 527 F N 1.708 121.601 119.950 -0.096 0.000 2.060 527 F HA -0.169 4.358 4.527 -0.001 0.000 0.295 527 F C 1.953 177.628 175.800 -0.209 0.000 1.120 527 F CA 0.890 58.819 58.000 -0.118 0.000 1.205 527 F CB -0.307 38.663 39.000 -0.050 0.000 0.986 527 F HN 0.036 nan 8.300 nan 0.000 0.470 528 L N 1.307 122.247 121.223 -0.473 0.000 1.971 528 L HA -0.152 4.187 4.340 -0.001 0.000 0.215 528 L C -0.772 175.889 176.870 -0.348 0.000 1.072 528 L CA 2.455 56.963 54.840 -0.555 0.000 0.758 528 L CB -2.079 39.564 42.059 -0.694 0.000 0.889 528 L HN 0.010 nan 8.230 nan 0.000 0.433 529 P HA -0.205 nan 4.420 nan 0.000 0.217 529 P C 1.454 178.656 177.300 -0.164 0.000 1.148 529 P CA 1.633 64.656 63.100 -0.129 0.000 0.828 529 P CB -0.050 31.596 31.700 -0.090 0.000 0.783 530 K N -0.650 119.615 120.400 -0.225 0.000 2.062 530 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 530 K C 1.900 178.330 176.600 -0.284 0.000 1.051 530 K CA 0.838 56.998 56.287 -0.211 0.000 0.941 530 K CB -0.670 31.718 32.500 -0.185 0.000 0.719 530 K HN -0.052 nan 8.250 nan 0.000 0.440 531 L N 1.756 122.683 121.223 -0.493 0.000 1.970 531 L HA -0.152 4.188 4.340 -0.001 0.000 0.212 531 L C 1.836 178.567 176.870 -0.231 0.000 1.071 531 L CA 1.725 56.290 54.840 -0.457 0.000 0.751 531 L CB -0.671 40.993 42.059 -0.658 0.000 0.889 531 L HN 0.218 nan 8.230 nan 0.000 0.432 532 L N -0.029 121.080 121.223 -0.191 0.000 2.353 532 L HA -0.162 4.178 4.340 -0.001 0.000 0.220 532 L C 2.532 179.360 176.870 -0.069 0.000 1.133 532 L CA 1.082 55.864 54.840 -0.096 0.000 0.798 532 L CB -1.525 40.509 42.059 -0.042 0.000 0.922 532 L HN 0.626 nan 8.230 nan 0.000 0.445 533 N N 0.181 118.828 118.700 -0.087 0.000 2.336 533 N HA 0.081 4.820 4.740 -0.001 0.000 0.177 533 N C 2.095 177.572 175.510 -0.054 0.000 1.018 533 N CA 1.007 54.022 53.050 -0.058 0.000 0.878 533 N CB -0.281 38.172 38.487 -0.058 0.000 0.997 533 N HN 0.338 nan 8.380 nan 0.000 0.433 534 A N 0.768 123.544 122.820 -0.072 0.000 1.845 534 A HA 0.059 4.379 4.320 -0.001 0.000 0.215 534 A C 2.052 179.611 177.584 -0.041 0.000 1.195 534 A CA 2.176 54.180 52.037 -0.054 0.000 0.616 534 A CB -1.449 17.511 19.000 -0.065 0.000 0.832 534 A HN 0.778 nan 8.150 nan 0.000 0.443 535 T N 0.000 114.525 114.554 -0.048 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 535 T CB 0.000 68.847 68.868 -0.035 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658