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 3k6s_1_B DATA FIRST_RESID 1 DATA SEQUENCE QEcTKFKVSS cREcIESGPG cTWcQKLNFT GPGDPDSIRc DTRPQLLMRG DATA SEQUENCE cAADDIMDPT SLAETQEDHN GGQKQLSPQK VTLYLRPGQA AAFNVTFRRA DATA SEQUENCE KGYPIDLYYL MDLSYSMLDD LRNVKKLGGD LLRALNEITE SGRIGFGSFV DATA SEQUENCE DKTVLPFVNT HPDKLRNPcP NKEKEcQPPF AFRHVLKLTN NSNQFQTEVG DATA SEQUENCE KQLISGNLDA PEGGLDAMMQ VAAcPEEIGW RNVTRLLVFA TDDGFHFAGD DATA SEQUENCE GKLGAILTPN DGRcHLEDNL YKRSNEFDYP SVGQLAHKLA ENNIQPIFAV DATA SEQUENCE TSRMVKTYEK LTEIIPKSAV GELSEDSSNV VQLIKNAYNK LSSRVFLDHN DATA SEQUENCE ALPDTLKVTY DSFcSNGVTH RNQPRGDcDG VQINVPITFQ VKVTATEcIQ DATA SEQUENCE EQSFVIRALG FTDIVTVQVL PQcEcRcRDQ SRDRSLcHGK GFLEcGIcRc DATA SEQUENCE DTGYIGKNcE cQTQGRSSQE LEGScRKDNN SIIcSGLGDc VcGQcLcHTS DATA SEQUENCE DVPGKLIYGQ YcEcDTINcE RYNGQVcGGP GRGLcFcGKc RcHPGFEGSA DATA SEQUENCE cQcERTTEGc LNPRRVEcSG RGRcRcNVcE cHSGYQLPLc QECPGCPSPc DATA SEQUENCE GKYIScAEcL KFEKGPFGKN cSAAcPGLQL SNNPVKGRTc KERDSEGcWV DATA SEQUENCE AYTLEQQDGM DRYLIYVDES REcV 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.009 176.000 0.014 0.000 1.003 1 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 1 Q CB 0.000 28.745 28.738 0.012 0.000 1.108 2 E N 0.154 120.362 120.200 0.014 0.000 2.481 2 E HA 0.534 4.931 4.350 0.078 0.000 0.301 2 E C -1.658 174.951 176.600 0.014 0.000 0.948 2 E CA -0.690 55.718 56.400 0.014 0.000 0.804 2 E CB 1.731 31.436 29.700 0.008 0.000 1.265 2 E HN 0.277 nan 8.360 nan 0.000 0.406 3 c N 3.045 121.657 118.600 0.020 0.000 3.096 3 c HA 0.360 4.977 4.570 0.078 0.000 0.391 3 c C -0.981 173.132 174.090 0.040 0.000 1.085 3 c CA 0.014 56.358 56.329 0.025 0.000 1.289 3 c CB 0.340 42.871 42.510 0.035 0.000 1.685 3 c HN 0.790 nan 8.230 nan 0.000 0.515 4 T N 4.999 119.573 114.554 0.033 0.000 2.799 4 T HA 0.346 4.743 4.350 0.078 0.000 0.286 4 T C -0.216 174.537 174.700 0.088 0.000 0.973 4 T CA -0.338 61.800 62.100 0.065 0.000 1.035 4 T CB 1.084 69.990 68.868 0.063 0.000 0.932 4 T HN 0.642 nan 8.240 nan 0.000 0.469 5 K N 2.651 123.130 120.400 0.132 0.000 2.349 5 K HA 0.278 4.645 4.320 0.078 0.000 0.289 5 K C -0.295 176.424 176.600 0.199 0.000 1.064 5 K CA -0.372 56.007 56.287 0.155 0.000 0.947 5 K CB 0.424 33.013 32.500 0.148 0.000 1.007 5 K HN 0.465 nan 8.250 nan 0.000 0.478 6 F N 2.453 122.390 119.950 -0.022 0.000 2.284 6 F HA 0.135 4.709 4.527 0.078 0.000 0.297 6 F C 0.743 176.485 175.800 -0.096 0.000 1.215 6 F CA -0.692 57.218 58.000 -0.150 0.000 1.120 6 F CB 0.579 39.469 39.000 -0.182 0.000 1.426 6 F HN 0.289 nan 8.300 nan 0.000 0.514 7 K N 1.959 121.687 120.400 -1.120 0.000 2.405 7 K HA 0.166 4.533 4.320 0.078 0.000 0.276 7 K C -1.476 175.086 176.600 -0.063 0.000 1.099 7 K CA 0.015 55.993 56.287 -0.515 0.000 1.120 7 K CB -0.320 31.790 32.500 -0.650 0.000 0.877 7 K HN 0.427 nan 8.250 nan 0.000 0.472 8 V N 4.545 124.471 119.914 0.019 0.000 2.294 8 V HA 0.056 4.223 4.120 0.078 0.000 0.272 8 V C 0.757 176.898 176.094 0.078 0.000 1.027 8 V CA -0.176 62.182 62.300 0.097 0.000 0.823 8 V CB 0.926 32.862 31.823 0.187 0.000 1.030 8 V HN 0.905 nan 8.190 nan 0.000 0.457 9 S N 3.361 119.082 115.700 0.034 0.000 2.527 9 S HA 0.186 4.703 4.470 0.078 0.000 0.227 9 S C 0.889 175.471 174.600 -0.030 0.000 1.059 9 S CA 0.593 58.803 58.200 0.017 0.000 0.919 9 S CB 0.358 63.564 63.200 0.011 0.000 0.805 9 S HN 0.867 nan 8.310 nan 0.000 0.500 10 S N -0.251 115.364 115.700 -0.142 0.000 2.806 10 S HA 0.336 4.853 4.470 0.078 0.000 0.306 10 S C 1.291 175.385 174.600 -0.843 0.000 1.167 10 S CA -0.143 57.851 58.200 -0.343 0.000 0.847 10 S CB 0.482 63.560 63.200 -0.203 0.000 1.216 10 S HN 0.619 nan 8.310 nan 0.000 0.532 11 c N -0.042 117.864 118.600 -1.158 0.000 2.432 11 c HA 0.201 4.818 4.570 0.078 0.000 0.280 11 c C 2.558 176.246 174.090 -0.670 0.000 1.353 11 c CA 0.964 56.334 56.329 -1.598 0.000 1.766 11 c CB -1.637 40.066 42.510 -1.345 0.000 1.924 11 c HN 0.972 nan 8.230 nan 0.000 0.509 12 R N 1.320 121.579 120.500 -0.402 0.000 2.090 12 R HA -0.034 4.352 4.340 0.078 0.000 0.228 12 R C 2.197 178.413 176.300 -0.141 0.000 1.110 12 R CA 1.479 57.455 56.100 -0.206 0.000 0.973 12 R CB -0.333 29.886 30.300 -0.134 0.000 0.869 12 R HN 0.642 nan 8.270 nan 0.000 0.440 13 E N -0.264 119.857 120.200 -0.132 0.000 2.418 13 E HA -0.164 4.233 4.350 0.078 0.000 0.197 13 E C 1.837 178.449 176.600 0.020 0.000 1.026 13 E CA 0.652 57.041 56.400 -0.018 0.000 0.862 13 E CB -0.001 29.718 29.700 0.032 0.000 0.799 13 E HN 0.397 nan 8.360 nan 0.000 0.518 14 c N 0.528 119.107 118.600 -0.036 0.000 2.485 14 c HA 0.022 4.639 4.570 0.078 0.000 0.278 14 c C 2.266 176.383 174.090 0.045 0.000 1.356 14 c CA -0.048 56.332 56.329 0.084 0.000 1.747 14 c CB -0.535 42.130 42.510 0.258 0.000 2.001 14 c HN 0.290 nan 8.230 nan 0.000 0.501 15 I N 1.193 121.751 120.570 -0.020 0.000 2.439 15 I HA -0.037 4.180 4.170 0.078 0.000 0.251 15 I C 2.145 178.234 176.117 -0.045 0.000 1.139 15 I CA 1.351 62.636 61.300 -0.024 0.000 1.438 15 I CB -1.509 36.464 38.000 -0.045 0.000 1.085 15 I HN 0.484 nan 8.210 nan 0.000 0.427 16 E N 0.370 120.531 120.200 -0.064 0.000 2.438 16 E HA 0.001 4.398 4.350 0.078 0.000 0.192 16 E C 1.684 178.182 176.600 -0.169 0.000 1.110 16 E CA 0.034 56.363 56.400 -0.118 0.000 0.893 16 E CB 0.130 29.751 29.700 -0.133 0.000 0.990 16 E HN 0.323 nan 8.360 nan 0.000 0.490 17 S N -0.294 115.349 115.700 -0.096 0.000 2.468 17 S HA 0.216 4.732 4.470 0.078 0.000 0.226 17 S C 0.742 175.263 174.600 -0.132 0.000 1.051 17 S CA 0.461 58.599 58.200 -0.104 0.000 0.943 17 S CB 0.923 64.129 63.200 0.008 0.000 0.810 17 S HN 0.411 nan 8.310 nan 0.000 0.509 18 G N 0.417 109.167 108.800 -0.084 0.000 2.325 18 G HA2 0.349 4.355 3.960 0.078 0.000 0.297 18 G HA3 0.349 4.355 3.960 0.078 0.000 0.297 18 G C -2.940 171.939 174.900 -0.036 0.000 1.448 18 G CA -0.777 44.278 45.100 -0.074 0.000 0.838 18 G HN -0.168 nan 8.290 nan 0.000 0.579 19 P HA 0.022 nan 4.420 nan 0.000 0.215 19 P C 1.762 179.062 177.300 0.000 0.000 1.157 19 P CA 1.864 64.957 63.100 -0.011 0.000 0.868 19 P CB 0.161 31.856 31.700 -0.009 0.000 0.788 20 G N -1.660 107.140 108.800 0.001 0.000 3.332 20 G HA2 0.062 4.068 3.960 0.078 0.000 0.242 20 G HA3 0.062 4.068 3.960 0.078 0.000 0.242 20 G C -0.227 174.684 174.900 0.018 0.000 1.276 20 G CA -0.109 44.997 45.100 0.009 0.000 0.988 20 G HN 0.266 nan 8.290 nan 0.000 0.517 21 c N 1.483 120.097 118.600 0.022 0.000 2.295 21 c HA 0.723 5.340 4.570 0.078 0.000 0.331 21 c C 0.742 174.869 174.090 0.063 0.000 1.280 21 c CA -0.660 55.695 56.329 0.044 0.000 1.746 21 c CB 0.174 42.711 42.510 0.045 0.000 2.328 21 c HN 0.519 nan 8.230 nan 0.000 0.521 22 T N 0.626 115.224 114.554 0.074 0.000 2.942 22 T HA 0.710 5.107 4.350 0.078 0.000 0.289 22 T C -0.956 173.841 174.700 0.161 0.000 1.044 22 T CA -0.622 61.533 62.100 0.092 0.000 1.023 22 T CB 1.969 70.860 68.868 0.038 0.000 1.123 22 T HN 0.825 nan 8.240 nan 0.000 0.512 23 W N 0.701 121.967 121.300 -0.056 0.000 2.936 23 W HA 0.604 5.311 4.660 0.078 0.000 0.338 23 W C -1.693 174.756 176.519 -0.118 0.000 1.121 23 W CA -1.441 55.858 57.345 -0.076 0.000 1.209 23 W CB 1.976 31.405 29.460 -0.051 0.000 1.420 23 W HN 0.970 nan 8.180 nan 0.000 0.516 24 c N 6.025 124.082 118.600 -0.906 0.000 2.351 24 c HA 0.306 4.923 4.570 0.078 0.000 0.326 24 c C 1.200 174.897 174.090 -0.655 0.000 1.272 24 c CA -0.173 55.738 56.329 -0.697 0.000 1.650 24 c CB 0.878 42.848 42.510 -0.901 0.000 2.257 24 c HN 0.786 nan 8.230 nan 0.000 0.505 25 Q N 3.108 122.793 119.800 -0.191 0.000 2.378 25 Q HA 0.120 4.507 4.340 0.078 0.000 0.216 25 Q C 0.565 176.539 176.000 -0.043 0.000 0.892 25 Q CA -0.037 55.777 55.803 0.018 0.000 0.931 25 Q CB 0.078 28.892 28.738 0.127 0.000 1.086 25 Q HN 0.707 nan 8.270 nan 0.000 0.528 26 K N 2.007 122.337 120.400 -0.116 0.000 2.437 26 K HA 0.033 4.400 4.320 0.078 0.000 0.277 26 K C -0.419 176.185 176.600 0.006 0.000 1.073 26 K CA -0.110 56.149 56.287 -0.047 0.000 1.105 26 K CB 0.322 32.793 32.500 -0.047 0.000 0.881 26 K HN 0.192 nan 8.250 nan 0.000 0.475 27 L N 3.769 125.014 121.223 0.036 0.000 2.468 27 L HA -0.049 4.337 4.340 0.078 0.000 0.253 27 L C 0.878 177.795 176.870 0.080 0.000 1.237 27 L CA -0.101 54.771 54.840 0.053 0.000 0.823 27 L CB 0.106 42.187 42.059 0.037 0.000 1.124 27 L HN 0.928 nan 8.230 nan 0.000 0.504 28 N N -0.459 118.278 118.700 0.061 0.000 2.713 28 N HA -0.309 4.478 4.740 0.078 0.000 0.251 28 N C 0.298 175.843 175.510 0.060 0.000 1.117 28 N CA 1.249 54.325 53.050 0.043 0.000 0.770 28 N CB -1.479 37.023 38.487 0.026 0.000 1.137 28 N HN 0.564 nan 8.380 nan 0.000 0.566 29 F N 0.636 120.551 119.950 -0.058 0.000 2.569 29 F HA 0.121 4.695 4.527 0.078 0.000 0.295 29 F C 0.753 176.508 175.800 -0.075 0.000 1.115 29 F CA 0.659 58.614 58.000 -0.075 0.000 1.450 29 F CB 0.448 39.381 39.000 -0.111 0.000 1.107 29 F HN -0.149 nan 8.300 nan 0.000 0.563 30 T N 1.520 116.088 114.554 0.023 0.000 2.761 30 T HA 0.421 4.818 4.350 0.078 0.000 0.296 30 T C 0.719 175.364 174.700 -0.091 0.000 0.934 30 T CA -0.043 62.032 62.100 -0.040 0.000 1.091 30 T CB 0.768 69.641 68.868 0.009 0.000 0.896 30 T HN 0.316 nan 8.240 nan 0.000 0.515 31 G N 3.777 112.501 108.800 -0.127 0.000 2.683 31 G HA2 0.221 4.228 3.960 0.078 0.000 0.260 31 G HA3 0.221 4.228 3.960 0.078 0.000 0.260 31 G C -1.228 173.636 174.900 -0.060 0.000 1.238 31 G CA -1.224 43.813 45.100 -0.104 0.000 0.934 31 G HN 0.409 nan 8.290 nan 0.000 0.534 32 P HA -0.078 nan 4.420 nan 0.000 0.217 32 P C 0.984 178.270 177.300 -0.023 0.000 1.158 32 P CA 2.172 65.255 63.100 -0.029 0.000 0.887 32 P CB 0.133 31.818 31.700 -0.025 0.000 0.792 33 G N -1.217 107.568 108.800 -0.025 0.000 4.632 33 G HA2 0.180 4.186 3.960 0.078 0.000 0.244 33 G HA3 0.180 4.186 3.960 0.078 0.000 0.244 33 G C -1.178 173.707 174.900 -0.025 0.000 1.070 33 G CA -0.216 44.872 45.100 -0.020 0.000 0.791 33 G HN -0.048 nan 8.290 nan 0.000 0.544 34 D N 1.043 121.422 120.400 -0.035 0.000 2.272 34 D HA 0.493 5.180 4.640 0.078 0.000 0.247 34 D C -2.256 174.020 176.300 -0.039 0.000 0.990 34 D CA -1.419 52.557 54.000 -0.039 0.000 0.931 34 D CB 2.134 42.901 40.800 -0.055 0.000 1.195 34 D HN 0.030 nan 8.370 nan 0.000 0.477 35 P HA 0.108 nan 4.420 nan 0.000 0.269 35 P C 0.244 177.537 177.300 -0.013 0.000 1.215 35 P CA -0.163 62.904 63.100 -0.055 0.000 0.780 35 P CB 0.741 32.386 31.700 -0.092 0.000 0.898 36 D N -0.264 120.140 120.400 0.006 0.000 2.323 36 D HA -0.082 4.605 4.640 0.078 0.000 0.209 36 D C 1.505 177.841 176.300 0.060 0.000 0.973 36 D CA 1.018 55.045 54.000 0.044 0.000 0.874 36 D CB -0.204 40.646 40.800 0.084 0.000 0.930 36 D HN 0.361 nan 8.370 nan 0.000 0.521 37 S N 0.568 116.301 115.700 0.056 0.000 2.555 37 S HA -0.069 4.448 4.470 0.078 0.000 0.230 37 S C 2.141 176.767 174.600 0.044 0.000 0.978 37 S CA -0.001 58.252 58.200 0.087 0.000 0.934 37 S CB -0.719 62.520 63.200 0.066 0.000 0.766 37 S HN 0.502 nan 8.310 nan 0.000 0.533 38 I N -0.669 119.910 120.570 0.015 0.000 2.676 38 I HA 0.025 4.242 4.170 0.078 0.000 0.259 38 I C 2.241 178.344 176.117 -0.023 0.000 1.194 38 I CA 0.617 61.938 61.300 0.035 0.000 1.473 38 I CB -0.376 37.669 38.000 0.074 0.000 1.096 38 I HN 0.082 nan 8.210 nan 0.000 0.443 39 R N 0.515 120.886 120.500 -0.215 0.000 2.241 39 R HA -0.013 4.373 4.340 0.078 0.000 0.224 39 R C 0.673 176.601 176.300 -0.621 0.000 1.101 39 R CA 0.698 56.404 56.100 -0.658 0.000 0.995 39 R CB -0.377 29.167 30.300 -1.261 0.000 0.870 39 R HN 0.445 nan 8.270 nan 0.000 0.463 40 c N 1.659 120.132 118.600 -0.212 0.000 2.206 40 c HA 0.328 4.945 4.570 0.078 0.000 0.324 40 c C -0.520 173.593 174.090 0.039 0.000 1.120 40 c CA -0.765 55.594 56.329 0.049 0.000 1.546 40 c CB -0.663 42.031 42.510 0.305 0.000 2.023 40 c HN 0.295 nan 8.230 nan 0.000 0.448 41 D N 1.607 122.010 120.400 0.004 0.000 2.989 41 D HA 0.529 5.215 4.640 0.078 0.000 0.284 41 D C -0.162 176.150 176.300 0.021 0.000 1.212 41 D CA 0.184 54.197 54.000 0.021 0.000 1.055 41 D CB 1.869 42.678 40.800 0.015 0.000 1.351 41 D HN 0.509 nan 8.370 nan 0.000 0.611 42 T N -1.668 112.898 114.554 0.019 0.000 2.922 42 T HA 0.326 4.723 4.350 0.078 0.000 0.285 42 T C 1.205 175.908 174.700 0.005 0.000 1.005 42 T CA -0.487 61.623 62.100 0.016 0.000 1.061 42 T CB 1.667 70.546 68.868 0.018 0.000 1.007 42 T HN 0.449 nan 8.240 nan 0.000 0.502 43 R N 1.377 121.879 120.500 0.004 0.000 2.113 43 R HA -0.094 4.293 4.340 0.078 0.000 0.244 43 R C -0.925 175.374 176.300 -0.001 0.000 1.142 43 R CA 1.808 57.906 56.100 -0.003 0.000 0.953 43 R CB -1.519 28.783 30.300 0.002 0.000 0.860 43 R HN 0.535 nan 8.270 nan 0.000 0.438 44 P HA -0.151 nan 4.420 nan 0.000 0.215 44 P C 0.954 178.262 177.300 0.014 0.000 1.157 44 P CA 1.203 64.309 63.100 0.010 0.000 0.868 44 P CB -0.096 31.611 31.700 0.012 0.000 0.788 45 Q N -0.616 119.194 119.800 0.017 0.000 2.124 45 Q HA -0.103 4.284 4.340 0.078 0.000 0.202 45 Q C 2.307 178.329 176.000 0.036 0.000 0.977 45 Q CA 1.218 57.037 55.803 0.027 0.000 0.850 45 Q CB -1.044 27.712 28.738 0.029 0.000 0.901 45 Q HN 0.361 nan 8.270 nan 0.000 0.429 46 L N 0.044 121.275 121.223 0.013 0.000 2.046 46 L HA -0.188 4.198 4.340 0.078 0.000 0.208 46 L C 2.401 179.290 176.870 0.031 0.000 1.077 46 L CA 0.926 55.764 54.840 -0.002 0.000 0.747 46 L CB -0.508 41.503 42.059 -0.081 0.000 0.896 46 L HN 0.191 nan 8.230 nan 0.000 0.432 47 L N -1.029 120.205 121.223 0.018 0.000 2.141 47 L HA -0.201 4.186 4.340 0.078 0.000 0.209 47 L C 2.573 179.465 176.870 0.036 0.000 1.094 47 L CA 1.040 55.894 54.840 0.024 0.000 0.763 47 L CB -0.332 41.735 42.059 0.012 0.000 0.908 47 L HN 0.352 nan 8.230 nan 0.000 0.437 48 M N -0.411 119.210 119.600 0.036 0.000 2.319 48 M HA -0.142 4.384 4.480 0.078 0.000 0.265 48 M C 2.196 178.521 176.300 0.041 0.000 1.068 48 M CA 1.514 56.834 55.300 0.032 0.000 1.118 48 M CB 0.041 32.657 32.600 0.026 0.000 1.395 48 M HN 0.102 nan 8.290 nan 0.000 0.435 49 R N -0.742 119.803 120.500 0.076 0.000 2.173 49 R HA 0.139 4.525 4.340 0.078 0.000 0.208 49 R C 1.404 177.766 176.300 0.104 0.000 1.035 49 R CA 0.895 57.050 56.100 0.092 0.000 1.004 49 R CB 0.279 30.699 30.300 0.201 0.000 0.917 49 R HN 0.642 nan 8.270 nan 0.000 0.462 50 G N 0.201 109.085 108.800 0.140 0.000 2.421 50 G HA2 -0.239 3.768 3.960 0.078 0.000 0.188 50 G HA3 -0.239 3.768 3.960 0.078 0.000 0.188 50 G C 0.107 175.107 174.900 0.167 0.000 1.001 50 G CA -0.258 44.919 45.100 0.128 0.000 0.693 50 G HN 0.336 nan 8.290 nan 0.000 0.479 51 c N 3.198 121.939 118.600 0.234 0.000 2.517 51 c HA 0.536 5.153 4.570 0.078 0.000 0.403 51 c C 1.733 175.816 174.090 -0.013 0.000 1.467 51 c CA 0.292 56.635 56.329 0.024 0.000 1.542 51 c CB -1.372 40.983 42.510 -0.259 0.000 2.482 51 c HN 1.493 nan 8.230 nan 0.000 0.610 52 A N 5.307 128.119 122.820 -0.014 0.000 2.492 52 A HA 0.443 4.810 4.320 0.078 0.000 0.236 52 A C 1.345 178.913 177.584 -0.027 0.000 1.078 52 A CA 0.581 52.612 52.037 -0.011 0.000 0.773 52 A CB 0.034 19.030 19.000 -0.006 0.000 1.023 52 A HN 1.757 nan 8.150 nan 0.000 0.504 53 A N 0.607 123.419 122.820 -0.014 0.000 1.929 53 A HA -0.040 4.326 4.320 0.078 0.000 0.216 53 A C 1.412 178.988 177.584 -0.013 0.000 1.176 53 A CA 1.726 53.755 52.037 -0.014 0.000 0.628 53 A CB -0.570 18.427 19.000 -0.006 0.000 0.816 53 A HN 0.904 nan 8.150 nan 0.000 0.444 54 D N -0.660 119.734 120.400 -0.009 0.000 2.363 54 D HA -0.036 4.651 4.640 0.078 0.000 0.226 54 D C 0.322 176.618 176.300 -0.006 0.000 1.020 54 D CA 0.611 54.608 54.000 -0.005 0.000 0.892 54 D CB -0.242 40.557 40.800 -0.001 0.000 0.900 54 D HN 0.292 nan 8.370 nan 0.000 0.531 55 D N -0.047 120.340 120.400 -0.021 0.000 2.369 55 D HA 0.153 4.839 4.640 0.078 0.000 0.211 55 D C 0.333 176.609 176.300 -0.039 0.000 1.077 55 D CA -0.132 53.848 54.000 -0.033 0.000 0.842 55 D CB 0.683 41.444 40.800 -0.066 0.000 0.947 55 D HN 0.336 nan 8.370 nan 0.000 0.509 56 I N 2.438 122.990 120.570 -0.030 0.000 2.256 56 I HA 0.057 4.274 4.170 0.078 0.000 0.294 56 I C 0.304 176.441 176.117 0.032 0.000 1.127 56 I CA -0.306 60.983 61.300 -0.018 0.000 1.247 56 I CB 0.264 38.248 38.000 -0.026 0.000 1.460 56 I HN -0.330 nan 8.210 nan 0.000 0.511 57 M N 5.045 124.697 119.600 0.087 0.000 2.356 57 M HA 0.023 4.550 4.480 0.078 0.000 0.348 57 M C -0.124 176.225 176.300 0.082 0.000 1.595 57 M CA 0.754 56.112 55.300 0.097 0.000 1.095 57 M CB -0.448 32.242 32.600 0.149 0.000 1.963 57 M HN 0.366 nan 8.290 nan 0.000 0.459 58 D N 6.270 126.698 120.400 0.046 0.000 2.364 58 D HA 0.408 5.094 4.640 0.078 0.000 0.251 58 D C -2.527 173.786 176.300 0.022 0.000 1.282 58 D CA -1.438 52.584 54.000 0.036 0.000 0.927 58 D CB 1.166 41.982 40.800 0.027 0.000 1.267 58 D HN 0.191 nan 8.370 nan 0.000 0.531 59 P HA 0.236 nan 4.420 nan 0.000 0.269 59 P C -0.583 176.728 177.300 0.018 0.000 1.263 59 P CA -0.035 63.074 63.100 0.016 0.000 0.813 59 P CB 0.884 32.593 31.700 0.015 0.000 0.868 60 T N 1.502 116.065 114.554 0.015 0.000 2.918 60 T HA 0.371 4.768 4.350 0.078 0.000 0.286 60 T C 0.122 174.839 174.700 0.029 0.000 1.026 60 T CA -0.546 61.566 62.100 0.019 0.000 1.031 60 T CB 0.947 69.823 68.868 0.013 0.000 1.046 60 T HN 0.101 nan 8.240 nan 0.000 0.479 61 S N 2.129 117.853 115.700 0.040 0.000 2.548 61 S HA 0.603 5.120 4.470 0.078 0.000 0.277 61 S C -0.133 174.503 174.600 0.059 0.000 1.315 61 S CA -0.703 57.535 58.200 0.064 0.000 1.050 61 S CB -0.117 63.123 63.200 0.068 0.000 0.918 61 S HN 0.579 nan 8.310 nan 0.000 0.497 62 L N -0.333 120.934 121.223 0.073 0.000 2.669 62 L HA 1.066 5.453 4.340 0.078 0.000 0.255 62 L C -1.000 175.921 176.870 0.085 0.000 1.123 62 L CA -1.295 53.578 54.840 0.054 0.000 0.941 62 L CB 1.059 43.113 42.059 -0.009 0.000 1.552 62 L HN 0.564 nan 8.230 nan 0.000 0.394 63 A N -0.380 122.476 122.820 0.060 0.000 2.414 63 A HA 0.744 5.111 4.320 0.078 0.000 0.306 63 A C -1.220 176.378 177.584 0.023 0.000 1.054 63 A CA -0.341 51.732 52.037 0.059 0.000 0.724 63 A CB 1.582 20.646 19.000 0.106 0.000 1.267 63 A HN 0.765 nan 8.150 nan 0.000 0.418 64 E N 1.823 122.035 120.200 0.019 0.000 2.101 64 E HA 0.362 4.759 4.350 0.078 0.000 0.260 64 E C -0.502 176.086 176.600 -0.020 0.000 0.897 64 E CA -0.364 56.044 56.400 0.012 0.000 0.744 64 E CB 0.590 30.339 29.700 0.082 0.000 1.140 64 E HN 0.624 nan 8.360 nan 0.000 0.419 65 T N 2.029 116.576 114.554 -0.011 0.000 3.364 65 T HA 0.209 4.606 4.350 0.078 0.000 0.323 65 T C 0.175 174.864 174.700 -0.018 0.000 1.323 65 T CA -0.688 61.405 62.100 -0.010 0.000 1.073 65 T CB 0.365 69.244 68.868 0.019 0.000 1.150 65 T HN 0.407 nan 8.240 nan 0.000 0.727 66 Q N 2.763 122.545 119.800 -0.030 0.000 2.534 66 Q HA 0.136 4.523 4.340 0.078 0.000 0.223 66 Q C 0.036 176.010 176.000 -0.043 0.000 1.239 66 Q CA -0.031 55.749 55.803 -0.038 0.000 0.936 66 Q CB 0.461 29.177 28.738 -0.038 0.000 1.457 66 Q HN 0.699 nan 8.270 nan 0.000 0.547 67 E N 1.618 121.791 120.200 -0.045 0.000 2.383 67 E HA 0.034 4.431 4.350 0.078 0.000 0.264 67 E C -0.491 176.055 176.600 -0.090 0.000 1.050 67 E CA -0.357 56.018 56.400 -0.043 0.000 0.896 67 E CB 0.785 30.468 29.700 -0.029 0.000 0.982 67 E HN 0.367 nan 8.360 nan 0.000 0.424 68 D N 0.517 120.879 120.400 -0.064 0.000 2.447 68 D HA 0.088 4.775 4.640 0.078 0.000 0.265 68 D C 0.781 176.999 176.300 -0.137 0.000 1.250 68 D CA -0.096 53.849 54.000 -0.092 0.000 1.046 68 D CB 0.398 41.220 40.800 0.035 0.000 1.095 68 D HN 0.412 nan 8.370 nan 0.000 0.555 69 H N -0.398 118.679 119.070 0.011 0.000 2.435 69 H HA 0.185 4.788 4.556 0.078 0.000 0.309 69 H C 0.394 175.729 175.328 0.013 0.000 1.041 69 H CA 0.585 56.639 56.048 0.010 0.000 1.277 69 H CB 0.039 29.807 29.762 0.010 0.000 1.455 69 H HN 0.182 nan 8.280 nan 0.000 0.581 70 N N -2.068 116.740 118.700 0.180 0.000 2.928 70 N HA 0.288 5.075 4.740 0.078 0.000 0.247 70 N C -0.155 175.403 175.510 0.080 0.000 1.141 70 N CA 0.571 53.679 53.050 0.096 0.000 0.977 70 N CB 1.470 39.997 38.487 0.068 0.000 1.663 70 N HN 0.685 nan 8.380 nan 0.000 0.509 71 G N 0.451 109.292 108.800 0.069 0.000 2.159 71 G HA2 -0.215 3.791 3.960 0.078 0.000 0.256 71 G HA3 -0.215 3.791 3.960 0.078 0.000 0.256 71 G C 0.917 175.855 174.900 0.064 0.000 0.977 71 G CA 1.035 46.173 45.100 0.063 0.000 0.652 71 G HN 0.977 nan 8.290 nan 0.000 0.531 72 G N -0.886 107.960 108.800 0.078 0.000 2.454 72 G HA2 0.339 4.345 3.960 0.078 0.000 0.214 72 G HA3 0.339 4.345 3.960 0.078 0.000 0.214 72 G C 0.670 175.608 174.900 0.064 0.000 1.217 72 G CA 1.602 46.748 45.100 0.077 0.000 0.799 72 G HN 0.641 nan 8.290 nan 0.000 0.538 73 Q N -2.141 117.698 119.800 0.066 0.000 2.565 73 Q HA 0.416 4.803 4.340 0.078 0.000 0.294 73 Q C 0.096 176.139 176.000 0.071 0.000 1.005 73 Q CA -0.788 55.056 55.803 0.068 0.000 0.771 73 Q CB 2.137 30.917 28.738 0.070 0.000 1.486 73 Q HN 0.067 nan 8.270 nan 0.000 0.422 74 K N 0.136 120.584 120.400 0.080 0.000 2.157 74 K HA 0.120 4.487 4.320 0.078 0.000 0.207 74 K C 0.830 177.443 176.600 0.022 0.000 1.030 74 K CA 0.570 56.906 56.287 0.081 0.000 0.965 74 K CB 0.465 33.061 32.500 0.161 0.000 0.877 74 K HN 0.307 nan 8.250 nan 0.000 0.460 75 Q N 0.104 119.898 119.800 -0.011 0.000 2.093 75 Q HA 0.290 4.677 4.340 0.078 0.000 0.217 75 Q C -0.593 175.408 176.000 0.003 0.000 0.785 75 Q CA 0.072 55.765 55.803 -0.184 0.000 1.038 75 Q CB 1.334 29.733 28.738 -0.565 0.000 1.190 75 Q HN 0.187 nan 8.270 nan 0.000 0.468 76 L N 2.251 123.594 121.223 0.199 0.000 2.283 76 L HA 0.397 4.784 4.340 0.078 0.000 0.281 76 L C -0.231 176.743 176.870 0.173 0.000 1.033 76 L CA -0.340 54.677 54.840 0.295 0.000 0.848 76 L CB 1.057 43.274 42.059 0.262 0.000 1.226 76 L HN -0.003 nan 8.230 nan 0.000 0.429 77 S N 3.236 119.034 115.700 0.164 0.000 2.599 77 S HA 0.756 5.273 4.470 0.078 0.000 0.287 77 S C -2.812 171.878 174.600 0.149 0.000 1.105 77 S CA -1.618 56.655 58.200 0.122 0.000 0.899 77 S CB 2.185 65.432 63.200 0.079 0.000 1.100 77 S HN 0.178 nan 8.310 nan 0.000 0.482 78 P HA 0.314 nan 4.420 nan 0.000 0.274 78 P C -0.336 177.009 177.300 0.074 0.000 1.260 78 P CA -0.159 62.992 63.100 0.084 0.000 0.793 78 P CB 0.482 32.222 31.700 0.068 0.000 1.048 79 Q N -1.105 118.718 119.800 0.038 0.000 2.378 79 Q HA 0.170 4.557 4.340 0.078 0.000 0.216 79 Q C -0.083 175.912 176.000 -0.008 0.000 0.892 79 Q CA 1.012 56.832 55.803 0.029 0.000 0.931 79 Q CB 0.326 29.081 28.738 0.029 0.000 1.086 79 Q HN 0.413 nan 8.270 nan 0.000 0.528 80 K N 0.312 120.692 120.400 -0.033 0.000 2.687 80 K HA 0.419 4.786 4.320 0.078 0.000 0.249 80 K C -1.560 174.970 176.600 -0.117 0.000 0.994 80 K CA -0.330 55.910 56.287 -0.078 0.000 0.913 80 K CB 2.578 35.041 32.500 -0.061 0.000 1.202 80 K HN -0.232 nan 8.250 nan 0.000 0.460 81 V N 2.611 122.400 119.914 -0.208 0.000 2.311 81 V HA 0.193 4.360 4.120 0.078 0.000 0.275 81 V C -0.065 175.839 176.094 -0.317 0.000 1.022 81 V CA -0.497 61.611 62.300 -0.320 0.000 0.830 81 V CB 1.278 32.706 31.823 -0.658 0.000 1.012 81 V HN 0.681 nan 8.190 nan 0.000 0.452 82 T N 7.087 121.532 114.554 -0.182 0.000 3.151 82 T HA 0.431 4.828 4.350 0.078 0.000 0.332 82 T C -0.104 174.569 174.700 -0.045 0.000 1.245 82 T CA -0.342 61.679 62.100 -0.132 0.000 1.019 82 T CB -0.235 68.611 68.868 -0.038 0.000 1.109 82 T HN 0.503 nan 8.240 nan 0.000 0.621 83 L N 0.584 121.724 121.223 -0.137 0.000 2.395 83 L HA 0.595 4.982 4.340 0.078 0.000 0.269 83 L C -0.829 176.057 176.870 0.027 0.000 1.133 83 L CA -0.709 54.131 54.840 -0.000 0.000 0.812 83 L CB -0.183 41.838 42.059 -0.063 0.000 1.125 83 L HN 0.257 nan 8.230 nan 0.000 0.452 84 Y N 3.817 124.098 120.300 -0.033 0.000 2.587 84 Y HA 0.562 5.159 4.550 0.078 0.000 0.328 84 Y C -0.425 175.474 175.900 -0.002 0.000 0.980 84 Y CA -0.888 57.201 58.100 -0.018 0.000 1.272 84 Y CB 1.304 39.753 38.460 -0.018 0.000 1.094 84 Y HN 0.565 nan 8.280 nan 0.000 0.503 85 L N 4.930 126.205 121.223 0.088 0.000 2.265 85 L HA 0.521 4.908 4.340 0.078 0.000 0.289 85 L C -0.086 176.812 176.870 0.046 0.000 1.033 85 L CA -0.792 54.090 54.840 0.069 0.000 0.814 85 L CB 0.757 42.848 42.059 0.054 0.000 1.203 85 L HN 0.579 nan 8.230 nan 0.000 0.423 86 R N 6.358 126.885 120.500 0.045 0.000 2.357 86 R HA 0.497 4.883 4.340 0.078 0.000 0.296 86 R C -2.366 173.939 176.300 0.007 0.000 1.052 86 R CA -1.657 54.456 56.100 0.021 0.000 0.988 86 R CB 0.873 31.185 30.300 0.021 0.000 1.025 86 R HN 0.448 nan 8.270 nan 0.000 0.469 87 P HA 0.002 nan 4.420 nan 0.000 0.264 87 P C 0.310 177.594 177.300 -0.027 0.000 1.183 87 P CA 1.167 64.254 63.100 -0.022 0.000 0.763 87 P CB 0.790 32.464 31.700 -0.043 0.000 0.807 88 G N 1.502 110.288 108.800 -0.024 0.000 2.304 88 G HA2 -0.293 3.714 3.960 0.078 0.000 0.252 88 G HA3 -0.293 3.714 3.960 0.078 0.000 0.252 88 G C 0.212 175.105 174.900 -0.011 0.000 1.014 88 G CA 0.027 45.111 45.100 -0.027 0.000 0.619 88 G HN 0.639 nan 8.290 nan 0.000 0.525 89 Q N 0.725 120.524 119.800 -0.001 0.000 2.293 89 Q HA 0.696 5.083 4.340 0.078 0.000 0.261 89 Q C 0.072 176.084 176.000 0.021 0.000 0.960 89 Q CA -0.039 55.770 55.803 0.010 0.000 0.882 89 Q CB 1.389 30.136 28.738 0.014 0.000 1.275 89 Q HN 0.793 nan 8.270 nan 0.000 0.445 90 A N 2.374 125.207 122.820 0.022 0.000 2.328 90 A HA 0.697 5.064 4.320 0.078 0.000 0.284 90 A C -0.655 176.960 177.584 0.052 0.000 1.160 90 A CA -0.241 51.813 52.037 0.029 0.000 0.818 90 A CB 0.778 19.785 19.000 0.012 0.000 1.087 90 A HN 0.746 nan 8.150 nan 0.000 0.504 91 A N 1.880 124.751 122.820 0.086 0.000 2.290 91 A HA 0.706 5.073 4.320 0.078 0.000 0.310 91 A C 0.242 177.927 177.584 0.169 0.000 1.202 91 A CA 0.126 52.246 52.037 0.138 0.000 0.837 91 A CB 0.564 19.671 19.000 0.178 0.000 1.139 91 A HN 2.037 nan 8.150 nan 0.000 0.509 92 A N 2.413 125.323 122.820 0.151 0.000 2.304 92 A HA 0.790 5.157 4.320 0.078 0.000 0.314 92 A C -0.696 176.998 177.584 0.183 0.000 1.187 92 A CA -0.516 51.564 52.037 0.072 0.000 0.810 92 A CB 0.169 19.182 19.000 0.020 0.000 1.183 92 A HN 1.514 nan 8.150 nan 0.000 0.487 93 F N 0.947 120.919 119.950 0.036 0.000 2.561 93 F HA 0.665 5.239 4.527 0.078 0.000 0.313 93 F C -0.430 175.413 175.800 0.072 0.000 1.126 93 F CA -1.324 56.704 58.000 0.046 0.000 0.918 93 F CB 1.112 40.136 39.000 0.041 0.000 1.199 93 F HN 0.348 nan 8.300 nan 0.000 0.444 94 N N 1.173 119.962 118.700 0.149 0.000 2.445 94 N HA 0.597 5.384 4.740 0.078 0.000 0.264 94 N C -1.134 174.488 175.510 0.188 0.000 1.227 94 N CA -0.598 52.517 53.050 0.109 0.000 0.963 94 N CB 1.835 40.373 38.487 0.086 0.000 1.188 94 N HN 0.544 nan 8.380 nan 0.000 0.491 95 V N 0.735 120.769 119.914 0.200 0.000 2.445 95 V HA 0.230 4.397 4.120 0.078 0.000 0.283 95 V C -0.300 175.939 176.094 0.242 0.000 1.014 95 V CA -0.773 61.686 62.300 0.264 0.000 0.852 95 V CB 1.242 33.281 31.823 0.358 0.000 1.021 95 V HN 0.575 nan 8.190 nan 0.000 0.435 96 T N 5.768 120.433 114.554 0.185 0.000 2.761 96 T HA 0.465 4.861 4.350 0.078 0.000 0.296 96 T C -0.707 174.130 174.700 0.229 0.000 0.934 96 T CA 0.376 62.563 62.100 0.144 0.000 1.091 96 T CB 0.099 69.013 68.868 0.077 0.000 0.896 96 T HN 0.461 nan 8.240 nan 0.000 0.515 97 F N 4.298 124.278 119.950 0.051 0.000 2.577 97 F HA 0.464 5.037 4.527 0.078 0.000 0.344 97 F C 0.009 175.820 175.800 0.017 0.000 1.145 97 F CA -1.059 56.975 58.000 0.056 0.000 0.996 97 F CB 0.946 40.027 39.000 0.134 0.000 1.248 97 F HN 0.404 nan 8.300 nan 0.000 0.447 98 R N 6.531 126.753 120.500 -0.463 0.000 2.477 98 R HA 0.365 4.752 4.340 0.078 0.000 0.285 98 R C -0.175 175.821 176.300 -0.508 0.000 1.415 98 R CA -0.747 55.143 56.100 -0.351 0.000 1.446 98 R CB 0.408 30.604 30.300 -0.173 0.000 1.110 98 R HN 0.839 nan 8.270 nan 0.000 0.590 99 R N 1.619 121.717 120.500 -0.670 0.000 2.598 99 R HA -0.147 4.240 4.340 0.078 0.000 0.266 99 R C 0.023 176.204 176.300 -0.199 0.000 0.977 99 R CA 1.247 57.105 56.100 -0.405 0.000 1.097 99 R CB 0.651 30.909 30.300 -0.070 0.000 0.911 99 R HN 0.746 nan 8.270 nan 0.000 0.419 100 A N 4.032 126.767 122.820 -0.142 0.000 2.042 100 A HA 0.264 4.630 4.320 0.078 0.000 0.207 100 A C -0.265 177.230 177.584 -0.149 0.000 1.598 100 A CA 0.539 52.494 52.037 -0.137 0.000 0.818 100 A CB 0.468 19.390 19.000 -0.129 0.000 1.169 100 A HN 0.649 nan 8.150 nan 0.000 0.548 101 K N -1.863 118.396 120.400 -0.234 0.000 2.548 101 K HA 0.485 4.852 4.320 0.078 0.000 0.282 101 K C -0.701 175.696 176.600 -0.339 0.000 1.006 101 K CA -0.419 55.707 56.287 -0.269 0.000 0.892 101 K CB 1.577 33.898 32.500 -0.298 0.000 1.499 101 K HN 0.302 nan 8.250 nan 0.000 0.433 102 G N 1.140 109.804 108.800 -0.226 0.000 2.351 102 G HA2 0.326 4.332 3.960 0.078 0.000 0.287 102 G HA3 0.326 4.332 3.960 0.078 0.000 0.287 102 G C -0.844 173.974 174.900 -0.137 0.000 1.159 102 G CA 0.062 45.093 45.100 -0.115 0.000 0.929 102 G HN 0.294 nan 8.290 nan 0.000 0.435 103 Y N 2.439 122.801 120.300 0.104 0.000 2.289 103 Y HA 0.307 4.904 4.550 0.077 0.000 0.332 103 Y C -1.525 174.434 175.900 0.098 0.000 1.324 103 Y CA -2.021 56.137 58.100 0.097 0.000 1.478 103 Y CB 0.371 38.903 38.460 0.120 0.000 1.378 103 Y HN 0.347 nan 8.280 nan 0.000 0.558 104 P HA -0.042 nan 4.420 nan 0.000 0.258 104 P C -0.373 177.037 177.300 0.183 0.000 1.172 104 P CA 0.527 63.731 63.100 0.173 0.000 0.762 104 P CB 0.245 32.032 31.700 0.146 0.000 0.764 105 I N 2.663 123.330 120.570 0.161 0.000 2.834 105 I HA 0.312 4.529 4.170 0.078 0.000 0.305 105 I C -0.040 176.159 176.117 0.137 0.000 1.008 105 I CA -0.044 61.361 61.300 0.175 0.000 1.273 105 I CB 1.054 39.170 38.000 0.194 0.000 1.432 105 I HN 0.188 nan 8.210 nan 0.000 0.557 106 D N 5.685 126.177 120.400 0.155 0.000 2.445 106 D HA 0.293 4.980 4.640 0.078 0.000 0.236 106 D C -0.961 175.451 176.300 0.188 0.000 1.315 106 D CA -0.275 53.810 54.000 0.142 0.000 0.924 106 D CB 0.648 41.578 40.800 0.216 0.000 1.447 106 D HN 0.316 nan 8.370 nan 0.000 0.532 107 L N 1.770 123.064 121.223 0.117 0.000 2.456 107 L HA 0.459 4.846 4.340 0.078 0.000 0.257 107 L C -0.562 176.449 176.870 0.235 0.000 1.162 107 L CA -0.671 54.269 54.840 0.166 0.000 0.808 107 L CB 0.915 43.038 42.059 0.107 0.000 1.136 107 L HN 0.329 nan 8.230 nan 0.000 0.466 108 Y N 0.717 121.126 120.300 0.182 0.000 2.358 108 Y HA 0.227 4.823 4.550 0.076 0.000 0.324 108 Y C -1.278 174.770 175.900 0.248 0.000 1.123 108 Y CA -0.735 57.502 58.100 0.228 0.000 1.067 108 Y CB 1.240 39.885 38.460 0.308 0.000 1.230 108 Y HN 0.343 nan 8.280 nan 0.000 0.429 109 Y N 7.332 127.596 120.300 -0.061 0.000 2.594 109 Y HA 0.429 5.026 4.550 0.079 0.000 0.342 109 Y C -0.803 175.026 175.900 -0.118 0.000 1.010 109 Y CA -0.476 57.645 58.100 0.034 0.000 1.270 109 Y CB 0.368 38.961 38.460 0.221 0.000 1.125 109 Y HN 0.557 nan 8.280 nan 0.000 0.513 110 L N 7.833 129.051 121.223 -0.008 0.000 2.385 110 L HA 0.261 4.648 4.340 0.078 0.000 0.285 110 L C -0.065 176.804 176.870 -0.002 0.000 1.125 110 L CA 0.077 55.008 54.840 0.150 0.000 0.890 110 L CB 0.062 42.296 42.059 0.292 0.000 1.251 110 L HN 0.627 nan 8.230 nan 0.000 0.445 111 M N 3.014 122.522 119.600 -0.153 0.000 2.205 111 M HA 0.288 4.815 4.480 0.078 0.000 0.344 111 M C -0.527 175.296 176.300 -0.794 0.000 1.085 111 M CA -0.630 54.520 55.300 -0.250 0.000 1.001 111 M CB 1.574 34.316 32.600 0.238 0.000 1.626 111 M HN 0.287 nan 8.290 nan 0.000 0.442 112 D N 5.125 124.927 120.400 -0.996 0.000 2.358 112 D HA 0.180 4.866 4.640 0.078 0.000 0.258 112 D C -1.005 175.045 176.300 -0.416 0.000 1.223 112 D CA 0.136 53.481 54.000 -1.091 0.000 0.886 112 D CB 0.502 40.967 40.800 -0.559 0.000 1.120 112 D HN 0.654 nan 8.370 nan 0.000 0.482 113 L N 4.005 125.047 121.223 -0.301 0.000 2.315 113 L HA 0.277 4.664 4.340 0.078 0.000 0.278 113 L C 0.012 176.872 176.870 -0.017 0.000 1.088 113 L CA -0.328 54.491 54.840 -0.036 0.000 0.899 113 L CB 0.201 42.386 42.059 0.210 0.000 1.277 113 L HN 0.339 nan 8.230 nan 0.000 0.431 114 S N 0.155 115.855 115.700 0.001 0.000 2.810 114 S HA 0.267 4.784 4.470 0.078 0.000 0.315 114 S C 0.262 174.919 174.600 0.096 0.000 1.138 114 S CA -0.496 57.740 58.200 0.061 0.000 0.889 114 S CB 1.373 64.610 63.200 0.062 0.000 1.236 114 S HN 0.464 nan 8.310 nan 0.000 0.548 115 Y N 1.772 122.091 120.300 0.032 0.000 2.561 115 Y HA -0.023 4.573 4.550 0.076 0.000 0.291 115 Y C 2.346 178.265 175.900 0.030 0.000 1.141 115 Y CA 1.323 59.442 58.100 0.032 0.000 1.303 115 Y CB 0.046 38.526 38.460 0.033 0.000 1.015 115 Y HN 0.684 nan 8.280 nan 0.000 0.547 116 S N -1.283 114.509 115.700 0.152 0.000 2.501 116 S HA 0.010 4.527 4.470 0.078 0.000 0.220 116 S C 1.101 175.723 174.600 0.035 0.000 0.997 116 S CA 0.249 58.509 58.200 0.100 0.000 0.919 116 S CB -0.080 63.184 63.200 0.107 0.000 0.778 116 S HN 0.231 nan 8.310 nan 0.000 0.523 117 M N 1.623 121.229 119.600 0.010 0.000 3.007 117 M HA 0.424 4.951 4.480 0.078 0.000 0.288 117 M C 0.471 176.743 176.300 -0.046 0.000 1.246 117 M CA -0.116 55.179 55.300 -0.007 0.000 1.040 117 M CB -0.489 32.106 32.600 -0.007 0.000 1.254 117 M HN 0.323 nan 8.290 nan 0.000 0.517 118 L N 0.640 121.803 121.223 -0.100 0.000 2.062 118 L HA -0.132 4.255 4.340 0.078 0.000 0.202 118 L C 1.966 178.780 176.870 -0.094 0.000 1.079 118 L CA 1.252 55.999 54.840 -0.156 0.000 0.755 118 L CB -0.396 41.480 42.059 -0.304 0.000 0.913 118 L HN 0.368 nan 8.230 nan 0.000 0.445 119 D N -1.067 119.292 120.400 -0.070 0.000 2.350 119 D HA -0.184 4.503 4.640 0.078 0.000 0.216 119 D C 1.248 177.537 176.300 -0.019 0.000 0.968 119 D CA 0.851 54.827 54.000 -0.040 0.000 0.894 119 D CB -0.406 40.380 40.800 -0.022 0.000 0.909 119 D HN 0.255 nan 8.370 nan 0.000 0.520 120 D N 0.252 120.646 120.400 -0.010 0.000 2.120 120 D HA -0.025 4.662 4.640 0.078 0.000 0.202 120 D C 1.991 178.294 176.300 0.005 0.000 0.972 120 D CA 0.371 54.381 54.000 0.017 0.000 0.837 120 D CB -0.305 40.518 40.800 0.038 0.000 0.989 120 D HN 0.191 nan 8.370 nan 0.000 0.469 121 L N 0.389 121.602 121.223 -0.017 0.000 2.201 121 L HA -0.096 4.291 4.340 0.078 0.000 0.212 121 L C 2.318 179.150 176.870 -0.064 0.000 1.105 121 L CA 0.972 55.788 54.840 -0.040 0.000 0.775 121 L CB 0.090 42.120 42.059 -0.049 0.000 0.913 121 L HN -0.056 nan 8.230 nan 0.000 0.440 122 R N -0.077 120.389 120.500 -0.055 0.000 2.062 122 R HA -0.092 4.295 4.340 0.078 0.000 0.226 122 R C 1.380 177.651 176.300 -0.048 0.000 1.125 122 R CA 1.696 57.762 56.100 -0.057 0.000 0.966 122 R CB -0.170 30.100 30.300 -0.051 0.000 0.861 122 R HN 0.401 nan 8.270 nan 0.000 0.433 123 N N -0.587 118.094 118.700 -0.032 0.000 2.434 123 N HA 0.019 4.805 4.740 0.078 0.000 0.196 123 N C -0.030 175.464 175.510 -0.027 0.000 1.183 123 N CA -0.087 52.950 53.050 -0.022 0.000 0.849 123 N CB 1.048 39.532 38.487 -0.004 0.000 0.992 123 N HN 0.035 nan 8.380 nan 0.000 0.460 124 V N -0.259 119.625 119.914 -0.050 0.000 3.283 124 V HA -0.069 4.098 4.120 0.078 0.000 0.265 124 V C 1.657 177.664 176.094 -0.144 0.000 1.672 124 V CA -0.103 62.148 62.300 -0.081 0.000 1.020 124 V CB 0.342 32.135 31.823 -0.050 0.000 0.854 124 V HN 0.246 nan 8.190 nan 0.000 0.408 125 K N 1.824 122.142 120.400 -0.137 0.000 2.173 125 K HA -0.169 4.198 4.320 0.078 0.000 0.207 125 K C 0.651 177.127 176.600 -0.207 0.000 1.046 125 K CA 1.568 57.741 56.287 -0.190 0.000 0.929 125 K CB -0.084 32.323 32.500 -0.155 0.000 0.720 125 K HN 0.368 nan 8.250 nan 0.000 0.453 126 K N 0.555 120.866 120.400 -0.147 0.000 3.306 126 K HA 0.192 4.559 4.320 0.078 0.000 0.169 126 K C -1.590 174.962 176.600 -0.081 0.000 1.110 126 K CA -0.318 55.896 56.287 -0.120 0.000 0.783 126 K CB 0.991 33.426 32.500 -0.107 0.000 0.958 126 K HN -0.034 nan 8.250 nan 0.000 0.581 127 L N 0.532 121.706 121.223 -0.082 0.000 2.506 127 L HA 0.458 4.845 4.340 0.078 0.000 0.247 127 L C 0.415 177.258 176.870 -0.045 0.000 1.141 127 L CA 0.203 55.011 54.840 -0.053 0.000 0.973 127 L CB 0.810 42.843 42.059 -0.043 0.000 1.319 127 L HN 0.407 nan 8.230 nan 0.000 0.455 128 G N 0.522 109.304 108.800 -0.030 0.000 3.146 128 G HA2 0.130 4.137 3.960 0.078 0.000 0.238 128 G HA3 0.130 4.137 3.960 0.078 0.000 0.238 128 G C 0.957 175.841 174.900 -0.026 0.000 1.022 128 G CA 0.389 45.475 45.100 -0.022 0.000 0.880 128 G HN 0.627 nan 8.290 nan 0.000 0.533 129 G N 1.463 110.251 108.800 -0.020 0.000 2.572 129 G HA2 -0.008 3.999 3.960 0.078 0.000 0.216 129 G HA3 -0.008 3.999 3.960 0.078 0.000 0.216 129 G C 1.251 176.143 174.900 -0.015 0.000 1.133 129 G CA 1.313 46.401 45.100 -0.019 0.000 0.791 129 G HN 0.449 nan 8.290 nan 0.000 0.538 130 D N 0.123 120.516 120.400 -0.011 0.000 2.360 130 D HA 0.053 4.740 4.640 0.078 0.000 0.210 130 D C 2.109 178.412 176.300 0.004 0.000 1.047 130 D CA -0.160 53.838 54.000 -0.002 0.000 0.854 130 D CB -0.225 40.576 40.800 0.002 0.000 0.936 130 D HN 0.351 nan 8.370 nan 0.000 0.514 131 L N -0.411 120.809 121.223 -0.005 0.000 2.102 131 L HA -0.000 4.387 4.340 0.078 0.000 0.202 131 L C 2.133 179.001 176.870 -0.003 0.000 1.076 131 L CA 0.412 55.253 54.840 0.002 0.000 0.761 131 L CB -0.257 41.791 42.059 -0.019 0.000 0.921 131 L HN -0.017 nan 8.230 nan 0.000 0.444 132 L N -0.223 120.986 121.223 -0.023 0.000 2.201 132 L HA -0.137 4.250 4.340 0.078 0.000 0.212 132 L C 2.633 179.498 176.870 -0.008 0.000 1.105 132 L CA 1.435 56.262 54.840 -0.021 0.000 0.775 132 L CB -0.676 41.362 42.059 -0.034 0.000 0.913 132 L HN 0.158 nan 8.230 nan 0.000 0.440 133 R N -0.347 120.150 120.500 -0.005 0.000 2.115 133 R HA -0.065 4.322 4.340 0.078 0.000 0.226 133 R C 2.033 178.337 176.300 0.005 0.000 1.100 133 R CA 1.129 57.228 56.100 -0.002 0.000 0.980 133 R CB -0.089 30.210 30.300 -0.002 0.000 0.875 133 R HN 0.325 nan 8.270 nan 0.000 0.445 134 A N 0.406 123.236 122.820 0.016 0.000 2.169 134 A HA -0.010 4.357 4.320 0.078 0.000 0.212 134 A C 1.697 179.301 177.584 0.034 0.000 1.153 134 A CA 0.361 52.416 52.037 0.029 0.000 0.756 134 A CB -0.029 19.000 19.000 0.048 0.000 0.813 134 A HN 0.364 nan 8.150 nan 0.000 0.471 135 L N -0.747 120.491 121.223 0.026 0.000 2.513 135 L HA 0.188 4.575 4.340 0.078 0.000 0.222 135 L C 1.580 178.449 176.870 -0.001 0.000 1.096 135 L CA 1.385 56.241 54.840 0.027 0.000 0.857 135 L CB -0.531 41.547 42.059 0.031 0.000 1.026 135 L HN 0.316 nan 8.230 nan 0.000 0.469 136 N N 0.424 119.120 118.700 -0.007 0.000 2.120 136 N HA -0.221 4.566 4.740 0.078 0.000 0.188 136 N C 1.531 177.025 175.510 -0.026 0.000 1.024 136 N CA 1.826 54.867 53.050 -0.014 0.000 0.852 136 N CB 0.127 38.607 38.487 -0.012 0.000 1.003 136 N HN 0.482 nan 8.380 nan 0.000 0.424 137 E N 0.316 120.496 120.200 -0.032 0.000 2.000 137 E HA -0.133 4.264 4.350 0.078 0.000 0.199 137 E C 2.015 178.575 176.600 -0.068 0.000 1.011 137 E CA 1.460 57.833 56.400 -0.045 0.000 0.836 137 E CB -0.301 29.372 29.700 -0.046 0.000 0.778 137 E HN 0.305 nan 8.360 nan 0.000 0.462 138 I N 0.523 121.030 120.570 -0.105 0.000 2.130 138 I HA -0.056 4.161 4.170 0.078 0.000 0.234 138 I C 1.125 177.176 176.117 -0.111 0.000 1.067 138 I CA 1.022 62.233 61.300 -0.148 0.000 1.339 138 I CB -1.738 36.089 38.000 -0.289 0.000 1.073 138 I HN 0.051 nan 8.210 nan 0.000 0.405 139 T N 2.024 116.523 114.554 -0.092 0.000 2.874 139 T HA 0.283 4.680 4.350 0.078 0.000 0.281 139 T C 0.714 175.405 174.700 -0.014 0.000 0.994 139 T CA -0.619 61.462 62.100 -0.032 0.000 1.015 139 T CB 1.849 70.733 68.868 0.026 0.000 1.028 139 T HN 0.369 nan 8.240 nan 0.000 0.523 140 E N 0.408 120.610 120.200 0.002 0.000 3.497 140 E HA 0.257 4.654 4.350 0.078 0.000 0.384 140 E C 0.113 176.720 176.600 0.011 0.000 0.451 140 E CA -0.699 55.702 56.400 0.002 0.000 2.217 140 E CB -0.191 29.510 29.700 0.001 0.000 2.185 140 E HN 0.494 nan 8.360 nan 0.000 0.461 141 S N 0.782 116.490 115.700 0.013 0.000 2.670 141 S HA 0.295 4.812 4.470 0.078 0.000 0.328 141 S C 0.424 175.038 174.600 0.022 0.000 1.179 141 S CA -0.473 57.734 58.200 0.012 0.000 1.194 141 S CB -0.223 62.984 63.200 0.012 0.000 1.359 141 S HN 0.578 nan 8.310 nan 0.000 0.555 142 G N 2.551 111.362 108.800 0.018 0.000 2.574 142 G HA2 0.648 4.654 3.960 0.078 0.000 0.248 142 G HA3 0.648 4.654 3.960 0.078 0.000 0.248 142 G C -0.197 174.701 174.900 -0.004 0.000 1.422 142 G CA -0.991 44.126 45.100 0.028 0.000 1.051 142 G HN 0.594 nan 8.290 nan 0.000 0.560 143 R N -1.528 118.961 120.500 -0.017 0.000 2.771 143 R HA 0.584 4.970 4.340 0.078 0.000 0.274 143 R C -1.710 174.511 176.300 -0.132 0.000 0.987 143 R CA -0.699 55.359 56.100 -0.069 0.000 0.908 143 R CB 1.780 32.047 30.300 -0.055 0.000 1.213 143 R HN 0.342 nan 8.270 nan 0.000 0.468 144 I N 0.118 120.540 120.570 -0.247 0.000 2.534 144 I HA 0.546 4.763 4.170 0.078 0.000 0.288 144 I C 0.197 176.017 176.117 -0.495 0.000 1.077 144 I CA -0.259 60.760 61.300 -0.468 0.000 1.051 144 I CB 2.360 39.875 38.000 -0.808 0.000 1.234 144 I HN 0.710 nan 8.210 nan 0.000 0.425 145 G N 4.214 112.870 108.800 -0.240 0.000 2.605 145 G HA2 0.771 4.777 3.960 0.078 0.000 0.296 145 G HA3 0.771 4.777 3.960 0.078 0.000 0.296 145 G C -2.076 172.843 174.900 0.033 0.000 1.304 145 G CA -0.590 44.555 45.100 0.074 0.000 0.941 145 G HN 0.321 nan 8.290 nan 0.000 0.475 146 F N 0.176 119.921 119.950 -0.342 0.000 2.588 146 F HA 0.761 5.333 4.527 0.076 0.000 0.310 146 F C -0.039 175.365 175.800 -0.660 0.000 1.082 146 F CA -0.512 57.179 58.000 -0.515 0.000 0.929 146 F CB 2.568 41.367 39.000 -0.336 0.000 1.254 146 F HN 0.803 nan 8.300 nan 0.000 0.455 147 G N 2.730 110.823 108.800 -1.178 0.000 2.741 147 G HA2 0.470 4.476 3.960 0.078 0.000 0.293 147 G HA3 0.470 4.476 3.960 0.078 0.000 0.293 147 G C -1.879 172.739 174.900 -0.471 0.000 1.457 147 G CA -0.670 44.237 45.100 -0.323 0.000 1.098 147 G HN 0.766 nan 8.290 nan 0.000 0.536 148 S N 0.614 116.188 115.700 -0.210 0.000 2.687 148 S HA 0.934 5.450 4.470 0.078 0.000 0.283 148 S C -0.704 174.144 174.600 0.412 0.000 1.170 148 S CA -0.605 57.637 58.200 0.070 0.000 1.008 148 S CB 0.699 64.083 63.200 0.306 0.000 1.026 148 S HN 1.410 nan 8.310 nan 0.000 0.541 149 F N 0.667 120.748 119.950 0.219 0.000 2.708 149 F HA 0.658 5.228 4.527 0.071 0.000 0.309 149 F C -0.833 174.844 175.800 -0.206 0.000 1.120 149 F CA -0.959 57.074 58.000 0.054 0.000 0.978 149 F CB 0.289 39.377 39.000 0.145 0.000 1.283 149 F HN 0.318 nan 8.300 nan 0.000 0.439 150 V N -0.399 119.389 119.914 -0.211 0.000 4.197 150 V HA 0.507 4.674 4.120 0.078 0.000 0.176 150 V C -1.007 175.108 176.094 0.035 0.000 1.208 150 V CA 0.658 62.816 62.300 -0.237 0.000 1.306 150 V CB 0.659 32.133 31.823 -0.582 0.000 1.585 150 V HN 0.898 nan 8.190 nan 0.000 0.552 151 D N -1.085 119.279 120.400 -0.059 0.000 2.798 151 D HA 0.193 4.880 4.640 0.078 0.000 0.265 151 D C -1.175 175.083 176.300 -0.069 0.000 1.223 151 D CA -0.604 53.407 54.000 0.019 0.000 0.743 151 D CB 1.678 42.553 40.800 0.125 0.000 1.276 151 D HN 0.152 nan 8.370 nan 0.000 0.421 152 K N 0.189 120.496 120.400 -0.154 0.000 2.559 152 K HA 0.016 4.383 4.320 0.078 0.000 0.279 152 K C 0.768 177.376 176.600 0.014 0.000 0.967 152 K CA 0.714 56.892 56.287 -0.182 0.000 1.000 152 K CB 0.442 32.675 32.500 -0.445 0.000 0.890 152 K HN 0.387 nan 8.250 nan 0.000 0.501 153 T N 1.713 116.336 114.554 0.114 0.000 2.701 153 T HA -0.106 4.291 4.350 0.078 0.000 0.263 153 T C 0.853 175.617 174.700 0.107 0.000 1.040 153 T CA 0.716 62.908 62.100 0.154 0.000 1.147 153 T CB 0.001 68.984 68.868 0.191 0.000 0.865 153 T HN 0.448 nan 8.240 nan 0.000 0.426 154 V N 3.465 123.438 119.914 0.099 0.000 2.834 154 V HA 0.403 4.570 4.120 0.078 0.000 0.301 154 V C 0.084 176.285 176.094 0.178 0.000 1.066 154 V CA -1.220 61.143 62.300 0.106 0.000 1.052 154 V CB 0.291 32.171 31.823 0.095 0.000 1.021 154 V HN 0.372 nan 8.190 nan 0.000 0.480 155 L N 4.565 125.882 121.223 0.156 0.000 2.473 155 L HA 0.425 4.812 4.340 0.078 0.000 0.265 155 L C -1.945 175.069 176.870 0.240 0.000 1.243 155 L CA -0.794 54.148 54.840 0.170 0.000 0.822 155 L CB -1.236 40.877 42.059 0.091 0.000 1.101 155 L HN 0.394 nan 8.230 nan 0.000 0.507 156 P HA 0.144 nan 4.420 nan 0.000 0.255 156 P C 0.302 177.515 177.300 -0.146 0.000 1.427 156 P CA 0.490 63.566 63.100 -0.041 0.000 0.863 156 P CB -0.225 31.387 31.700 -0.148 0.000 1.444 157 F N -0.724 119.206 119.950 -0.033 0.000 2.743 157 F HA 0.191 4.764 4.527 0.076 0.000 0.297 157 F C 1.143 176.930 175.800 -0.021 0.000 1.131 157 F CA 0.288 58.253 58.000 -0.059 0.000 1.426 157 F CB 0.469 39.425 39.000 -0.073 0.000 1.116 157 F HN -0.189 nan 8.300 nan 0.000 0.583 158 V N 0.550 120.554 119.914 0.150 0.000 2.901 158 V HA 0.160 4.326 4.120 0.078 0.000 0.257 158 V C -1.560 174.578 176.094 0.073 0.000 1.709 158 V CA -1.551 60.805 62.300 0.092 0.000 0.926 158 V CB 0.741 32.623 31.823 0.098 0.000 1.291 158 V HN 0.295 nan 8.190 nan 0.000 0.460 159 N N 3.704 122.434 118.700 0.051 0.000 2.293 159 N HA 0.104 4.891 4.740 0.078 0.000 0.253 159 N C 0.743 176.274 175.510 0.035 0.000 1.248 159 N CA 0.818 53.895 53.050 0.046 0.000 0.845 159 N CB 0.990 39.502 38.487 0.042 0.000 1.073 159 N HN 0.921 nan 8.380 nan 0.000 0.464 160 T N -2.592 111.977 114.554 0.025 0.000 3.000 160 T HA 0.170 4.567 4.350 0.078 0.000 0.248 160 T C 0.005 174.544 174.700 -0.267 0.000 1.034 160 T CA 0.400 62.461 62.100 -0.065 0.000 1.060 160 T CB -0.305 68.549 68.868 -0.023 0.000 0.983 160 T HN 0.652 nan 8.240 nan 0.000 0.482 161 H N 0.740 119.836 119.070 0.043 0.000 2.949 161 H HA 0.655 5.258 4.556 0.079 0.000 0.310 161 H C -2.499 172.848 175.328 0.031 0.000 1.405 161 H CA -1.686 54.384 56.048 0.036 0.000 1.253 161 H CB 1.136 30.916 29.762 0.030 0.000 1.932 161 H HN 0.022 nan 8.280 nan 0.000 0.602 162 P HA 0.148 nan 4.420 nan 0.000 0.336 162 P C -0.229 177.137 177.300 0.110 0.000 1.288 162 P CA -0.400 62.814 63.100 0.189 0.000 0.766 162 P CB 0.924 32.697 31.700 0.120 0.000 1.461 163 D N -0.824 119.631 120.400 0.093 0.000 2.420 163 D HA -0.117 4.570 4.640 0.078 0.000 0.233 163 D C 1.492 177.824 176.300 0.052 0.000 1.017 163 D CA 0.701 54.743 54.000 0.070 0.000 0.951 163 D CB -0.480 40.357 40.800 0.061 0.000 0.877 163 D HN 0.406 nan 8.370 nan 0.000 0.528 164 K N 0.427 120.857 120.400 0.050 0.000 2.286 164 K HA -0.177 4.190 4.320 0.078 0.000 0.203 164 K C 1.791 178.419 176.600 0.046 0.000 1.045 164 K CA 0.600 56.912 56.287 0.042 0.000 0.935 164 K CB -0.066 32.456 32.500 0.037 0.000 0.737 164 K HN 0.106 nan 8.250 nan 0.000 0.460 165 L N 0.939 122.190 121.223 0.047 0.000 2.156 165 L HA -0.033 4.354 4.340 0.078 0.000 0.208 165 L C 1.801 178.698 176.870 0.045 0.000 1.095 165 L CA 1.447 56.309 54.840 0.036 0.000 0.770 165 L CB -0.141 41.917 42.059 -0.002 0.000 0.914 165 L HN 0.065 nan 8.230 nan 0.000 0.439 166 R N -0.594 119.934 120.500 0.047 0.000 2.193 166 R HA 0.051 4.437 4.340 0.078 0.000 0.213 166 R C 0.208 176.537 176.300 0.048 0.000 1.055 166 R CA 0.673 56.801 56.100 0.046 0.000 0.995 166 R CB -0.143 30.182 30.300 0.042 0.000 0.893 166 R HN 0.274 nan 8.270 nan 0.000 0.459 167 N N -0.193 118.537 118.700 0.049 0.000 2.716 167 N HA 0.152 4.938 4.740 0.078 0.000 0.245 167 N C -2.477 173.062 175.510 0.049 0.000 1.495 167 N CA -1.782 51.297 53.050 0.049 0.000 0.759 167 N CB 1.341 39.852 38.487 0.040 0.000 1.261 167 N HN -0.217 nan 8.380 nan 0.000 0.515 168 P HA 0.087 nan 4.420 nan 0.000 0.223 168 P C 0.136 177.461 177.300 0.043 0.000 1.151 168 P CA 0.349 63.482 63.100 0.056 0.000 0.787 168 P CB 0.153 31.901 31.700 0.081 0.000 0.788 169 c N 2.390 121.030 118.600 0.068 0.000 2.519 169 c HA 0.040 4.657 4.570 0.078 0.000 0.402 169 c C -1.891 172.180 174.090 -0.032 0.000 1.475 169 c CA -0.523 55.853 56.329 0.079 0.000 1.504 169 c CB -0.990 41.604 42.510 0.139 0.000 2.454 169 c HN 0.225 nan 8.230 nan 0.000 0.615 170 P HA 0.169 nan 4.420 nan 0.000 0.273 170 P C 0.485 177.651 177.300 -0.224 0.000 1.319 170 P CA 0.893 63.824 63.100 -0.281 0.000 0.885 170 P CB 0.349 31.749 31.700 -0.500 0.000 1.015 171 N N 3.271 121.916 118.700 -0.091 0.000 2.825 171 N HA -0.222 4.565 4.740 0.078 0.000 0.206 171 N C 0.749 176.265 175.510 0.010 0.000 1.057 171 N CA 2.246 55.272 53.050 -0.040 0.000 1.343 171 N CB -1.220 37.235 38.487 -0.054 0.000 0.942 171 N HN 0.286 nan 8.380 nan 0.000 0.562 172 K N 0.449 120.878 120.400 0.049 0.000 2.168 172 K HA 0.163 4.530 4.320 0.078 0.000 0.201 172 K C -0.267 176.383 176.600 0.083 0.000 1.049 172 K CA 0.629 56.974 56.287 0.097 0.000 0.974 172 K CB 0.124 32.738 32.500 0.190 0.000 0.792 172 K HN 0.365 nan 8.250 nan 0.000 0.463 173 E N 1.413 121.669 120.200 0.093 0.000 2.210 173 E HA -0.204 4.193 4.350 0.078 0.000 0.201 173 E C -0.500 176.140 176.600 0.066 0.000 1.339 173 E CA 0.528 56.972 56.400 0.074 0.000 0.699 173 E CB -1.211 28.516 29.700 0.045 0.000 1.126 173 E HN 0.417 nan 8.360 nan 0.000 0.355 174 K N 0.723 121.171 120.400 0.081 0.000 3.100 174 K HA 0.167 4.534 4.320 0.078 0.000 0.256 174 K C 0.110 176.732 176.600 0.037 0.000 1.146 174 K CA -0.022 56.295 56.287 0.051 0.000 1.233 174 K CB 0.440 32.966 32.500 0.044 0.000 1.226 174 K HN 0.133 nan 8.250 nan 0.000 0.442 175 E N 0.131 120.355 120.200 0.039 0.000 2.340 175 E HA -0.209 4.188 4.350 0.078 0.000 0.240 175 E C -0.325 176.294 176.600 0.031 0.000 1.154 175 E CA 0.571 56.988 56.400 0.028 0.000 0.717 175 E CB -2.365 27.342 29.700 0.012 0.000 1.250 175 E HN 0.752 nan 8.360 nan 0.000 0.386 176 c N 0.089 118.722 118.600 0.056 0.000 2.700 176 c HA 0.496 5.113 4.570 0.078 0.000 0.397 176 c C 1.228 175.356 174.090 0.062 0.000 1.301 176 c CA -0.058 56.311 56.329 0.067 0.000 2.219 176 c CB 0.497 43.076 42.510 0.115 0.000 2.699 176 c HN 0.573 nan 8.230 nan 0.000 0.669 177 Q N 1.914 121.749 119.800 0.059 0.000 2.417 177 Q HA 0.484 4.871 4.340 0.078 0.000 0.241 177 Q C -2.539 173.526 176.000 0.107 0.000 1.008 177 Q CA -1.151 54.675 55.803 0.038 0.000 0.901 177 Q CB -0.326 28.383 28.738 -0.048 0.000 1.259 177 Q HN 0.556 nan 8.270 nan 0.000 0.489 178 P HA 0.099 nan 4.420 nan 0.000 0.266 178 P C -2.438 175.026 177.300 0.272 0.000 1.195 178 P CA -0.910 62.270 63.100 0.134 0.000 0.768 178 P CB -0.337 31.413 31.700 0.084 0.000 0.838 179 P HA -0.002 nan 4.420 nan 0.000 0.261 179 P C -0.663 176.874 177.300 0.396 0.000 1.183 179 P CA 0.828 64.092 63.100 0.273 0.000 0.761 179 P CB -0.135 31.656 31.700 0.153 0.000 0.785 180 F N 1.191 121.256 119.950 0.192 0.000 3.117 180 F HA 0.891 5.465 4.527 0.079 0.000 0.345 180 F C 0.537 176.494 175.800 0.262 0.000 1.278 180 F CA -0.785 57.419 58.000 0.341 0.000 1.035 180 F CB 0.378 39.568 39.000 0.316 0.000 1.531 180 F HN 0.190 nan 8.300 nan 0.000 0.515 181 A N -0.764 122.120 122.820 0.106 0.000 1.792 181 A HA 0.441 4.808 4.320 0.078 0.000 0.189 181 A C -0.962 176.635 177.584 0.021 0.000 1.926 181 A CA 0.265 52.089 52.037 -0.356 0.000 1.493 181 A CB 0.221 18.662 19.000 -0.932 0.000 1.554 181 A HN 0.890 nan 8.150 nan 0.000 0.340 182 F N 0.653 120.674 119.950 0.118 0.000 2.839 182 F HA 0.611 5.184 4.527 0.076 0.000 0.344 182 F C -0.909 175.195 175.800 0.507 0.000 1.242 182 F CA -0.424 57.773 58.000 0.327 0.000 1.091 182 F CB 1.173 40.242 39.000 0.115 0.000 1.374 182 F HN 0.076 nan 8.300 nan 0.000 0.553 183 R N 4.138 124.589 120.500 -0.081 0.000 2.371 183 R HA 0.259 4.646 4.340 0.078 0.000 0.312 183 R C -1.262 174.828 176.300 -0.351 0.000 0.980 183 R CA -0.875 55.116 56.100 -0.183 0.000 0.867 183 R CB 0.508 30.710 30.300 -0.165 0.000 1.163 183 R HN 0.779 nan 8.270 nan 0.000 0.492 184 H N 4.153 122.939 119.070 -0.473 0.000 3.291 184 H HA 0.057 4.660 4.556 0.078 0.000 0.256 184 H C 0.668 175.961 175.328 -0.059 0.000 1.315 184 H CA 0.067 55.981 56.048 -0.223 0.000 1.521 184 H CB 0.343 30.073 29.762 -0.053 0.000 1.621 184 H HN 0.416 nan 8.280 nan 0.000 0.498 185 V N 4.598 124.375 119.914 -0.228 0.000 2.346 185 V HA -0.065 4.102 4.120 0.078 0.000 0.244 185 V C 0.902 176.834 176.094 -0.269 0.000 1.037 185 V CA 1.020 63.216 62.300 -0.173 0.000 1.029 185 V CB -0.197 31.592 31.823 -0.057 0.000 0.663 185 V HN 0.537 nan 8.190 nan 0.000 0.454 186 L N 0.174 121.170 121.223 -0.378 0.000 2.385 186 L HA 0.451 4.837 4.340 0.078 0.000 0.273 186 L C -0.273 176.453 176.870 -0.239 0.000 0.990 186 L CA -0.277 54.405 54.840 -0.262 0.000 0.821 186 L CB 2.238 44.123 42.059 -0.290 0.000 1.279 186 L HN 0.025 nan 8.230 nan 0.000 0.412 187 K N 2.552 122.963 120.400 0.019 0.000 2.090 187 K HA 0.513 4.880 4.320 0.078 0.000 0.250 187 K C -0.542 176.136 176.600 0.130 0.000 1.004 187 K CA -0.705 55.715 56.287 0.223 0.000 0.919 187 K CB 0.891 33.538 32.500 0.245 0.000 1.045 187 K HN 0.499 nan 8.250 nan 0.000 0.471 188 L N 3.565 124.815 121.223 0.044 0.000 2.654 188 L HA 0.057 4.444 4.340 0.078 0.000 0.271 188 L C 0.220 177.077 176.870 -0.021 0.000 1.169 188 L CA 0.094 54.901 54.840 -0.056 0.000 0.947 188 L CB -0.472 41.473 42.059 -0.191 0.000 1.232 188 L HN 0.772 nan 8.230 nan 0.000 0.486 189 T N -1.637 112.902 114.554 -0.025 0.000 2.906 189 T HA 0.359 4.756 4.350 0.078 0.000 0.295 189 T C 0.645 175.319 174.700 -0.044 0.000 1.075 189 T CA -0.984 61.111 62.100 -0.008 0.000 1.005 189 T CB 1.896 70.790 68.868 0.043 0.000 1.136 189 T HN 0.296 nan 8.240 nan 0.000 0.498 190 N N 1.475 120.161 118.700 -0.024 0.000 2.135 190 N HA -0.025 4.762 4.740 0.078 0.000 0.186 190 N C 0.666 176.155 175.510 -0.036 0.000 1.027 190 N CA 0.913 53.946 53.050 -0.030 0.000 0.849 190 N CB -0.828 37.652 38.487 -0.013 0.000 1.002 190 N HN 0.852 nan 8.380 nan 0.000 0.425 191 N N 0.602 119.293 118.700 -0.014 0.000 2.305 191 N HA -0.059 4.728 4.740 0.078 0.000 0.232 191 N C 0.771 176.273 175.510 -0.013 0.000 1.274 191 N CA 0.592 53.638 53.050 -0.005 0.000 0.870 191 N CB 0.371 38.866 38.487 0.014 0.000 1.105 191 N HN 0.164 nan 8.380 nan 0.000 0.436 192 S N -0.958 114.739 115.700 -0.004 0.000 2.741 192 S HA -0.020 4.497 4.470 0.078 0.000 0.245 192 S C 1.225 175.854 174.600 0.048 0.000 1.083 192 S CA -0.002 58.195 58.200 -0.004 0.000 0.873 192 S CB -0.464 62.715 63.200 -0.034 0.000 0.814 192 S HN 0.697 nan 8.310 nan 0.000 0.476 193 N N 2.158 120.871 118.700 0.022 0.000 2.270 193 N HA -0.114 4.673 4.740 0.078 0.000 0.181 193 N C 1.723 177.237 175.510 0.007 0.000 1.016 193 N CA 1.558 54.613 53.050 0.008 0.000 0.870 193 N CB -0.722 37.760 38.487 -0.009 0.000 0.979 193 N HN 0.489 nan 8.380 nan 0.000 0.431 194 Q N 0.074 119.886 119.800 0.020 0.000 2.167 194 Q HA -0.002 4.384 4.340 0.078 0.000 0.202 194 Q C 1.675 177.676 176.000 0.001 0.000 0.970 194 Q CA 0.925 56.729 55.803 0.002 0.000 0.855 194 Q CB -0.580 28.165 28.738 0.012 0.000 0.911 194 Q HN 0.415 nan 8.270 nan 0.000 0.438 195 F N 0.494 120.381 119.950 -0.105 0.000 2.113 195 F HA -0.122 4.450 4.527 0.076 0.000 0.297 195 F C 1.991 177.678 175.800 -0.188 0.000 1.103 195 F CA 1.706 59.623 58.000 -0.138 0.000 1.248 195 F CB -0.082 38.846 39.000 -0.120 0.000 0.999 195 F HN 0.147 nan 8.300 nan 0.000 0.475 196 Q N -0.582 119.209 119.800 -0.014 0.000 2.050 196 Q HA -0.198 4.189 4.340 0.078 0.000 0.202 196 Q C 2.192 178.056 176.000 -0.227 0.000 0.980 196 Q CA 2.469 58.191 55.803 -0.135 0.000 0.840 196 Q CB -0.702 28.000 28.738 -0.059 0.000 0.898 196 Q HN 0.545 nan 8.270 nan 0.000 0.424 197 T N -1.108 113.346 114.554 -0.167 0.000 2.962 197 T HA -0.066 4.331 4.350 0.078 0.000 0.270 197 T C 1.539 176.113 174.700 -0.210 0.000 1.088 197 T CA 0.762 62.765 62.100 -0.161 0.000 1.127 197 T CB 0.047 68.850 68.868 -0.108 0.000 0.883 197 T HN 0.074 nan 8.240 nan 0.000 0.493 198 E N 0.506 120.542 120.200 -0.273 0.000 2.481 198 E HA 0.114 4.511 4.350 0.078 0.000 0.195 198 E C 2.020 178.372 176.600 -0.414 0.000 1.047 198 E CA 0.170 56.386 56.400 -0.306 0.000 0.867 198 E CB 0.222 29.736 29.700 -0.310 0.000 0.858 198 E HN 0.453 nan 8.360 nan 0.000 0.513 199 V N -0.172 119.434 119.914 -0.513 0.000 2.403 199 V HA -0.023 4.144 4.120 0.078 0.000 0.239 199 V C 2.346 178.190 176.094 -0.417 0.000 1.041 199 V CA 1.576 63.490 62.300 -0.643 0.000 1.051 199 V CB -0.761 30.548 31.823 -0.856 0.000 0.704 199 V HN 0.273 nan 8.190 nan 0.000 0.472 200 G N 0.430 109.039 108.800 -0.319 0.000 2.507 200 G HA2 -0.395 3.611 3.960 0.078 0.000 0.221 200 G HA3 -0.395 3.611 3.960 0.078 0.000 0.221 200 G C 1.539 176.330 174.900 -0.182 0.000 1.119 200 G CA 1.576 46.545 45.100 -0.218 0.000 0.751 200 G HN 0.523 nan 8.290 nan 0.000 0.574 201 K N 0.372 120.658 120.400 -0.191 0.000 2.001 201 K HA -0.200 4.167 4.320 0.078 0.000 0.223 201 K C 1.080 177.596 176.600 -0.140 0.000 1.055 201 K CA 1.256 57.451 56.287 -0.154 0.000 0.965 201 K CB -0.339 32.062 32.500 -0.164 0.000 0.730 201 K HN 0.420 nan 8.250 nan 0.000 0.449 202 Q N 1.086 120.789 119.800 -0.163 0.000 2.337 202 Q HA 0.164 4.551 4.340 0.078 0.000 0.270 202 Q C -0.240 175.700 176.000 -0.099 0.000 1.002 202 Q CA -0.162 55.560 55.803 -0.135 0.000 0.888 202 Q CB 0.939 29.583 28.738 -0.156 0.000 1.222 202 Q HN 0.287 nan 8.270 nan 0.000 0.400 203 L N 2.226 123.411 121.223 -0.064 0.000 2.397 203 L HA 0.505 4.892 4.340 0.078 0.000 0.266 203 L C 0.636 177.521 176.870 0.025 0.000 1.040 203 L CA -1.040 53.782 54.840 -0.030 0.000 0.800 203 L CB 0.668 42.714 42.059 -0.022 0.000 1.324 203 L HN 0.624 nan 8.230 nan 0.000 0.469 204 I N -2.570 118.025 120.570 0.042 0.000 3.363 204 I HA 0.293 4.510 4.170 0.078 0.000 0.234 204 I C 0.533 176.760 176.117 0.184 0.000 1.263 204 I CA 0.063 61.427 61.300 0.107 0.000 0.921 204 I CB 0.694 38.723 38.000 0.049 0.000 1.614 204 I HN 0.560 nan 8.210 nan 0.000 0.879 205 S N -1.007 114.826 115.700 0.222 0.000 4.323 205 S HA 0.876 5.393 4.470 0.078 0.000 0.245 205 S C -0.483 174.226 174.600 0.180 0.000 1.102 205 S CA -0.209 58.130 58.200 0.233 0.000 1.550 205 S CB 0.886 64.294 63.200 0.347 0.000 1.359 205 S HN 1.357 nan 8.310 nan 0.000 0.725 206 G N 1.298 110.177 108.800 0.131 0.000 2.377 206 G HA2 0.464 4.470 3.960 0.078 0.000 0.297 206 G HA3 0.464 4.470 3.960 0.078 0.000 0.297 206 G C -2.040 172.904 174.900 0.073 0.000 1.547 206 G CA -0.245 44.917 45.100 0.104 0.000 0.833 206 G HN 1.042 nan 8.290 nan 0.000 0.583 207 N N -0.881 117.859 118.700 0.066 0.000 2.972 207 N HA 0.595 5.381 4.740 0.078 0.000 0.262 207 N C 0.377 175.920 175.510 0.054 0.000 1.478 207 N CA -0.988 52.102 53.050 0.066 0.000 0.841 207 N CB 0.882 39.417 38.487 0.079 0.000 1.512 207 N HN 0.363 nan 8.380 nan 0.000 0.548 208 L N -0.733 120.520 121.223 0.049 0.000 2.121 208 L HA 0.135 4.522 4.340 0.078 0.000 0.200 208 L C 0.109 176.986 176.870 0.012 0.000 1.132 208 L CA 0.498 55.351 54.840 0.021 0.000 0.782 208 L CB -0.677 41.385 42.059 0.005 0.000 0.940 208 L HN 0.756 nan 8.230 nan 0.000 0.458 209 D N 0.895 121.285 120.400 -0.018 0.000 2.515 209 D HA -0.067 4.620 4.640 0.078 0.000 0.232 209 D C 0.727 177.057 176.300 0.050 0.000 1.157 209 D CA 0.674 54.655 54.000 -0.032 0.000 0.871 209 D CB 1.162 41.872 40.800 -0.150 0.000 1.200 209 D HN 0.278 nan 8.370 nan 0.000 0.466 210 A N 2.998 125.848 122.820 0.050 0.000 1.832 210 A HA 0.072 4.439 4.320 0.078 0.000 0.214 210 A C -1.307 176.358 177.584 0.135 0.000 1.200 210 A CA 0.676 52.757 52.037 0.073 0.000 0.610 210 A CB -1.648 17.374 19.000 0.036 0.000 0.842 210 A HN 0.586 nan 8.150 nan 0.000 0.444 211 P HA 0.161 nan 4.420 nan 0.000 0.270 211 P C -0.102 177.438 177.300 0.401 0.000 1.227 211 P CA 0.079 63.306 63.100 0.211 0.000 0.788 211 P CB 0.353 32.028 31.700 -0.042 0.000 0.926 212 E N -0.136 120.336 120.200 0.453 0.000 2.267 212 E HA 0.423 4.820 4.350 0.078 0.000 0.258 212 E C 0.669 177.614 176.600 0.575 0.000 1.074 212 E CA -0.609 56.074 56.400 0.472 0.000 0.915 212 E CB 0.652 30.652 29.700 0.500 0.000 1.186 212 E HN 0.508 nan 8.360 nan 0.000 0.439 213 G N -0.312 108.754 108.800 0.443 0.000 4.637 213 G HA2 0.292 4.299 3.960 0.078 0.000 0.308 213 G HA3 0.292 4.299 3.960 0.078 0.000 0.308 213 G C 0.796 175.902 174.900 0.343 0.000 1.377 213 G CA 0.016 45.407 45.100 0.484 0.000 1.176 213 G HN 0.456 nan 8.290 nan 0.000 0.601 214 G N 0.445 109.466 108.800 0.369 0.000 2.484 214 G HA2 -0.092 3.914 3.960 0.078 0.000 0.218 214 G HA3 -0.092 3.914 3.960 0.078 0.000 0.218 214 G C 1.587 176.477 174.900 -0.017 0.000 1.130 214 G CA 0.225 45.336 45.100 0.019 0.000 0.784 214 G HN 0.471 nan 8.290 nan 0.000 0.543 215 L N 0.366 121.688 121.223 0.166 0.000 2.083 215 L HA -0.076 4.310 4.340 0.078 0.000 0.209 215 L C 2.516 179.399 176.870 0.022 0.000 1.083 215 L CA 1.209 56.116 54.840 0.111 0.000 0.752 215 L CB -0.283 41.942 42.059 0.277 0.000 0.899 215 L HN 0.150 nan 8.230 nan 0.000 0.433 216 D N 0.347 120.740 120.400 -0.011 0.000 2.144 216 D HA -0.169 4.518 4.640 0.078 0.000 0.199 216 D C 2.120 178.283 176.300 -0.228 0.000 0.984 216 D CA 1.378 55.303 54.000 -0.125 0.000 0.834 216 D CB 0.286 40.902 40.800 -0.308 0.000 0.955 216 D HN 0.264 nan 8.370 nan 0.000 0.465 217 A N 0.585 123.254 122.820 -0.252 0.000 1.933 217 A HA -0.160 4.207 4.320 0.078 0.000 0.218 217 A C 2.223 179.541 177.584 -0.444 0.000 1.175 217 A CA 1.531 53.332 52.037 -0.394 0.000 0.628 217 A CB -0.437 18.471 19.000 -0.154 0.000 0.814 217 A HN 0.185 nan 8.150 nan 0.000 0.444 218 M N -0.833 118.613 119.600 -0.256 0.000 2.163 218 M HA -0.203 4.324 4.480 0.078 0.000 0.258 218 M C 2.317 178.465 176.300 -0.253 0.000 1.071 218 M CA 1.660 56.837 55.300 -0.205 0.000 1.093 218 M CB -1.391 31.124 32.600 -0.142 0.000 1.285 218 M HN 0.342 nan 8.290 nan 0.000 0.420 219 M N 0.118 119.589 119.600 -0.216 0.000 2.065 219 M HA -0.217 4.310 4.480 0.078 0.000 0.259 219 M C 2.179 178.298 176.300 -0.300 0.000 1.071 219 M CA 1.804 56.981 55.300 -0.205 0.000 1.109 219 M CB -1.546 30.989 32.600 -0.107 0.000 1.313 219 M HN 0.393 nan 8.290 nan 0.000 0.408 220 Q N -0.479 119.074 119.800 -0.412 0.000 2.217 220 Q HA -0.170 4.217 4.340 0.078 0.000 0.209 220 Q C 2.152 177.859 176.000 -0.488 0.000 0.988 220 Q CA 1.460 56.960 55.803 -0.506 0.000 0.878 220 Q CB -0.383 27.935 28.738 -0.699 0.000 0.909 220 Q HN 0.352 nan 8.270 nan 0.000 0.424 221 V N 0.726 120.319 119.914 -0.536 0.000 2.221 221 V HA -0.179 3.988 4.120 0.078 0.000 0.242 221 V C 1.321 177.312 176.094 -0.172 0.000 1.041 221 V CA 1.663 63.809 62.300 -0.256 0.000 0.995 221 V CB -0.581 31.103 31.823 -0.231 0.000 0.635 221 V HN 0.347 nan 8.190 nan 0.000 0.448 222 A N -0.987 121.668 122.820 -0.275 0.000 3.135 222 A HA 0.664 5.031 4.320 0.078 0.000 0.253 222 A C 1.016 178.435 177.584 -0.275 0.000 1.638 222 A CA 0.695 52.517 52.037 -0.358 0.000 1.295 222 A CB -0.350 18.385 19.000 -0.442 0.000 1.106 222 A HN 0.541 nan 8.150 nan 0.000 0.648 223 A N -0.607 122.081 122.820 -0.219 0.000 1.917 223 A HA 0.340 4.707 4.320 0.078 0.000 0.200 223 A C 0.929 178.413 177.584 -0.166 0.000 1.671 223 A CA 1.044 52.961 52.037 -0.200 0.000 1.034 223 A CB -0.037 18.823 19.000 -0.234 0.000 1.057 223 A HN 1.439 nan 8.150 nan 0.000 0.507 224 c N -2.581 115.940 118.600 -0.132 0.000 3.452 224 c HA 0.585 5.202 4.570 0.078 0.000 0.251 224 c C -2.629 171.450 174.090 -0.017 0.000 1.160 224 c CA -1.585 54.692 56.329 -0.087 0.000 1.328 224 c CB 0.102 42.538 42.510 -0.123 0.000 1.819 224 c HN 0.199 nan 8.230 nan 0.000 0.543 225 P HA -0.007 nan 4.420 nan 0.000 0.244 225 P C 1.238 178.584 177.300 0.077 0.000 1.211 225 P CA 1.155 64.341 63.100 0.144 0.000 0.760 225 P CB -0.002 31.859 31.700 0.269 0.000 0.961 226 E N -0.084 120.135 120.200 0.031 0.000 2.472 226 E HA -0.129 4.267 4.350 0.078 0.000 0.200 226 E C 0.940 177.552 176.600 0.019 0.000 1.046 226 E CA 0.783 57.197 56.400 0.023 0.000 0.871 226 E CB -0.003 29.703 29.700 0.009 0.000 0.806 226 E HN 0.504 nan 8.360 nan 0.000 0.533 227 E N -1.090 119.116 120.200 0.011 0.000 2.603 227 E HA 0.157 4.554 4.350 0.078 0.000 0.218 227 E C 1.420 177.998 176.600 -0.036 0.000 0.878 227 E CA -0.025 56.374 56.400 -0.002 0.000 1.348 227 E CB 0.722 30.419 29.700 -0.005 0.000 1.318 227 E HN 0.103 nan 8.360 nan 0.000 0.673 228 I N 0.361 120.908 120.570 -0.040 0.000 3.616 228 I HA 0.218 4.435 4.170 0.078 0.000 0.296 228 I C 0.831 176.932 176.117 -0.028 0.000 1.226 228 I CA 0.408 61.627 61.300 -0.136 0.000 1.394 228 I CB 0.792 38.713 38.000 -0.130 0.000 1.171 228 I HN 0.102 nan 8.210 nan 0.000 0.442 229 G N 1.111 109.954 108.800 0.071 0.000 2.850 229 G HA2 -0.234 3.772 3.960 0.078 0.000 0.686 229 G HA3 -0.234 3.772 3.960 0.078 0.000 0.686 229 G C -1.359 173.545 174.900 0.006 0.000 1.164 229 G CA -0.703 44.438 45.100 0.070 0.000 0.826 229 G HN 0.222 nan 8.290 nan 0.000 0.586 230 W N 1.115 122.433 121.300 0.030 0.000 3.296 230 W HA 0.647 5.353 4.660 0.075 0.000 0.314 230 W C 0.143 176.678 176.519 0.027 0.000 1.238 230 W CA -1.114 56.250 57.345 0.032 0.000 1.193 230 W CB 1.624 31.084 29.460 -0.001 0.000 1.383 230 W HN 0.820 nan 8.180 nan 0.000 0.545 231 R N 1.659 122.331 120.500 0.288 0.000 2.694 231 R HA 0.101 4.487 4.340 0.078 0.000 0.268 231 R C 0.806 177.215 176.300 0.182 0.000 1.061 231 R CA 0.386 56.598 56.100 0.187 0.000 1.133 231 R CB 0.371 30.763 30.300 0.154 0.000 1.020 231 R HN 0.420 nan 8.270 nan 0.000 0.475 232 N N 1.721 120.489 118.700 0.113 0.000 2.370 232 N HA 0.042 4.828 4.740 0.078 0.000 0.198 232 N C -0.129 175.411 175.510 0.050 0.000 1.156 232 N CA 0.181 53.275 53.050 0.074 0.000 0.839 232 N CB 0.384 38.902 38.487 0.052 0.000 0.989 232 N HN 0.370 nan 8.380 nan 0.000 0.468 233 V N -1.793 118.165 119.914 0.073 0.000 3.945 233 V HA 0.288 4.455 4.120 0.078 0.000 0.196 233 V C 0.612 176.739 176.094 0.054 0.000 1.110 233 V CA 0.279 62.607 62.300 0.046 0.000 1.411 233 V CB -0.023 31.853 31.823 0.089 0.000 1.707 233 V HN 0.061 nan 8.190 nan 0.000 0.477 234 T N 1.669 116.291 114.554 0.114 0.000 2.925 234 T HA 0.661 5.057 4.350 0.078 0.000 0.285 234 T C -0.562 174.239 174.700 0.167 0.000 1.021 234 T CA -0.388 61.780 62.100 0.112 0.000 1.042 234 T CB 1.149 70.114 68.868 0.162 0.000 1.037 234 T HN 0.314 nan 8.240 nan 0.000 0.481 235 R N 1.873 122.443 120.500 0.116 0.000 2.810 235 R HA 0.343 4.729 4.340 0.078 0.000 0.280 235 R C -1.779 174.581 176.300 0.100 0.000 1.517 235 R CA -0.712 55.520 56.100 0.220 0.000 1.063 235 R CB 0.662 30.944 30.300 -0.029 0.000 1.275 235 R HN 0.258 nan 8.270 nan 0.000 0.464 236 L N 3.271 124.593 121.223 0.165 0.000 2.307 236 L HA 0.511 4.898 4.340 0.078 0.000 0.284 236 L C -0.464 176.501 176.870 0.158 0.000 1.023 236 L CA -0.551 54.331 54.840 0.070 0.000 0.810 236 L CB 1.317 43.378 42.059 0.004 0.000 1.231 236 L HN 0.343 nan 8.230 nan 0.000 0.423 237 L N 2.875 124.144 121.223 0.076 0.000 2.298 237 L HA 0.786 5.173 4.340 0.078 0.000 0.268 237 L C -0.698 176.183 176.870 0.019 0.000 1.010 237 L CA -0.707 54.209 54.840 0.127 0.000 0.812 237 L CB 2.144 44.262 42.059 0.098 0.000 1.331 237 L HN 0.290 nan 8.230 nan 0.000 0.450 238 V N 1.083 121.014 119.914 0.028 0.000 2.610 238 V HA 0.436 4.603 4.120 0.078 0.000 0.298 238 V C -1.343 174.710 176.094 -0.069 0.000 1.067 238 V CA -0.471 61.788 62.300 -0.069 0.000 0.894 238 V CB 1.246 33.013 31.823 -0.094 0.000 1.015 238 V HN 0.489 nan 8.190 nan 0.000 0.432 239 F N 5.796 125.617 119.950 -0.214 0.000 2.399 239 F HA 0.787 5.353 4.527 0.065 0.000 0.342 239 F C 0.505 176.241 175.800 -0.106 0.000 1.106 239 F CA 0.545 58.468 58.000 -0.128 0.000 1.196 239 F CB 1.537 40.435 39.000 -0.171 0.000 1.163 239 F HN 0.786 nan 8.300 nan 0.000 0.547 240 A N 3.736 126.309 122.820 -0.413 0.000 2.442 240 A HA 0.612 4.979 4.320 0.078 0.000 0.284 240 A C -0.841 176.609 177.584 -0.223 0.000 1.058 240 A CA -0.343 51.553 52.037 -0.236 0.000 0.738 240 A CB 1.341 20.177 19.000 -0.275 0.000 1.242 240 A HN 0.736 nan 8.150 nan 0.000 0.421 241 T N 1.225 115.769 114.554 -0.017 0.000 3.289 241 T HA 0.405 4.802 4.350 0.078 0.000 0.370 241 T C -1.753 173.061 174.700 0.189 0.000 1.546 241 T CA -0.041 62.108 62.100 0.080 0.000 1.144 241 T CB 0.937 69.927 68.868 0.204 0.000 1.379 241 T HN 0.792 nan 8.240 nan 0.000 0.478 242 D N 2.892 123.381 120.400 0.149 0.000 3.072 242 D HA 0.386 5.073 4.640 0.078 0.000 0.250 242 D C -0.144 176.264 176.300 0.180 0.000 1.304 242 D CA -0.184 53.912 54.000 0.159 0.000 0.861 242 D CB 0.128 40.995 40.800 0.111 0.000 1.062 242 D HN 0.418 nan 8.370 nan 0.000 0.481 243 D N -1.312 119.239 120.400 0.252 0.000 2.665 243 D HA 0.400 5.086 4.640 0.078 0.000 0.287 243 D C 0.663 177.175 176.300 0.353 0.000 1.266 243 D CA -0.816 53.337 54.000 0.255 0.000 0.830 243 D CB 1.303 42.247 40.800 0.239 0.000 1.356 243 D HN 0.145 nan 8.370 nan 0.000 0.437 244 G N -0.513 108.463 108.800 0.292 0.000 2.481 244 G HA2 0.481 4.487 3.960 0.078 0.000 0.251 244 G HA3 0.481 4.487 3.960 0.078 0.000 0.251 244 G C -0.656 174.595 174.900 0.584 0.000 1.492 244 G CA 0.047 45.352 45.100 0.341 0.000 1.060 244 G HN 0.425 nan 8.290 nan 0.000 0.553 245 F N -3.022 116.984 119.950 0.092 0.000 2.639 245 F HA 0.545 5.118 4.527 0.077 0.000 0.326 245 F C -1.298 174.486 175.800 -0.026 0.000 1.150 245 F CA -1.658 56.451 58.000 0.182 0.000 1.057 245 F CB 0.293 39.425 39.000 0.220 0.000 1.300 245 F HN 0.419 nan 8.300 nan 0.000 0.486 246 H N 3.419 122.457 119.070 -0.053 0.000 2.473 246 H HA 0.717 5.320 4.556 0.079 0.000 0.327 246 H C -0.561 174.587 175.328 -0.299 0.000 1.105 246 H CA -0.275 55.487 56.048 -0.476 0.000 1.280 246 H CB 1.255 30.700 29.762 -0.528 0.000 1.450 246 H HN 0.592 nan 8.280 nan 0.000 0.492 247 F N -0.198 119.673 119.950 -0.133 0.000 2.712 247 F HA 0.790 5.361 4.527 0.073 0.000 0.367 247 F C 0.336 176.123 175.800 -0.022 0.000 1.132 247 F CA -1.892 56.109 58.000 0.002 0.000 1.066 247 F CB 0.083 39.077 39.000 -0.009 0.000 1.416 247 F HN 0.543 nan 8.300 nan 0.000 0.515 248 A N 0.095 123.115 122.820 0.333 0.000 2.583 248 A HA 0.386 4.752 4.320 0.078 0.000 0.231 248 A C 1.438 179.109 177.584 0.145 0.000 1.065 248 A CA 1.107 53.259 52.037 0.192 0.000 0.760 248 A CB -1.237 17.838 19.000 0.125 0.000 1.001 248 A HN 2.245 nan 8.150 nan 0.000 0.509 249 G N 0.752 109.596 108.800 0.074 0.000 2.284 249 G HA2 -0.261 3.746 3.960 0.078 0.000 0.230 249 G HA3 -0.261 3.746 3.960 0.078 0.000 0.230 249 G C 0.539 175.445 174.900 0.012 0.000 1.021 249 G CA 0.879 46.006 45.100 0.045 0.000 0.619 249 G HN 0.700 nan 8.290 nan 0.000 0.510 250 D N 0.966 121.344 120.400 -0.037 0.000 2.277 250 D HA 0.179 4.866 4.640 0.078 0.000 0.208 250 D C 2.364 178.747 176.300 0.138 0.000 0.962 250 D CA 1.355 55.341 54.000 -0.023 0.000 0.865 250 D CB -0.750 39.976 40.800 -0.124 0.000 0.939 250 D HN 0.558 nan 8.370 nan 0.000 0.510 251 G N 0.774 109.664 108.800 0.149 0.000 2.471 251 G HA2 -0.281 3.725 3.960 0.078 0.000 0.219 251 G HA3 -0.281 3.725 3.960 0.078 0.000 0.219 251 G C 1.487 176.467 174.900 0.134 0.000 1.125 251 G CA 0.421 45.640 45.100 0.199 0.000 0.775 251 G HN 0.258 nan 8.290 nan 0.000 0.548 252 K N 0.006 120.456 120.400 0.084 0.000 2.281 252 K HA 0.031 4.398 4.320 0.078 0.000 0.203 252 K C 2.259 178.898 176.600 0.064 0.000 1.046 252 K CA 0.555 56.876 56.287 0.056 0.000 0.938 252 K CB -0.196 32.322 32.500 0.030 0.000 0.737 252 K HN 0.362 nan 8.250 nan 0.000 0.458 253 L N -0.704 120.571 121.223 0.087 0.000 2.093 253 L HA -0.054 4.333 4.340 0.078 0.000 0.208 253 L C 2.099 179.034 176.870 0.108 0.000 1.085 253 L CA 1.209 56.091 54.840 0.071 0.000 0.755 253 L CB -0.291 41.786 42.059 0.031 0.000 0.904 253 L HN 0.257 nan 8.230 nan 0.000 0.435 254 G N -1.204 107.704 108.800 0.181 0.000 3.327 254 G HA2 0.325 4.332 3.960 0.078 0.000 0.240 254 G HA3 0.325 4.332 3.960 0.078 0.000 0.240 254 G C 0.930 175.893 174.900 0.105 0.000 1.222 254 G CA 0.308 45.509 45.100 0.167 0.000 0.871 254 G HN 0.407 nan 8.290 nan 0.000 0.525 255 A N -0.295 122.573 122.820 0.080 0.000 2.869 255 A HA -0.189 4.178 4.320 0.078 0.000 0.280 255 A C 0.466 178.082 177.584 0.052 0.000 1.458 255 A CA 1.145 53.216 52.037 0.057 0.000 0.776 255 A CB -2.502 16.529 19.000 0.053 0.000 1.028 255 A HN 1.399 nan 8.150 nan 0.000 0.547 256 I N -4.038 116.565 120.570 0.054 0.000 2.439 256 I HA 0.691 4.908 4.170 0.078 0.000 0.283 256 I C 0.028 176.157 176.117 0.020 0.000 1.023 256 I CA -1.085 60.237 61.300 0.038 0.000 1.100 256 I CB 1.541 39.564 38.000 0.039 0.000 1.238 256 I HN -0.082 nan 8.210 nan 0.000 0.445 257 L N 5.138 126.367 121.223 0.009 0.000 3.110 257 L HA 0.244 4.631 4.340 0.078 0.000 0.266 257 L C 0.678 177.538 176.870 -0.017 0.000 1.257 257 L CA 0.185 55.024 54.840 -0.002 0.000 1.038 257 L CB 0.463 42.525 42.059 0.005 0.000 1.395 257 L HN 0.754 nan 8.230 nan 0.000 0.566 258 T N -1.404 113.133 114.554 -0.027 0.000 2.762 258 T HA 0.487 4.884 4.350 0.078 0.000 0.303 258 T C -2.351 172.284 174.700 -0.108 0.000 0.977 258 T CA -1.861 60.219 62.100 -0.033 0.000 0.961 258 T CB 0.735 69.609 68.868 0.010 0.000 0.944 258 T HN -0.123 nan 8.240 nan 0.000 0.481 259 P HA 0.049 nan 4.420 nan 0.000 0.273 259 P C -0.078 177.084 177.300 -0.230 0.000 1.258 259 P CA -0.545 62.466 63.100 -0.149 0.000 0.802 259 P CB 0.556 32.216 31.700 -0.066 0.000 1.040 260 N N 1.055 119.613 118.700 -0.236 0.000 2.458 260 N HA -0.027 4.760 4.740 0.078 0.000 0.270 260 N C 0.796 176.400 175.510 0.157 0.000 1.102 260 N CA -0.027 52.970 53.050 -0.089 0.000 0.967 260 N CB 0.318 38.785 38.487 -0.032 0.000 1.078 260 N HN 0.336 nan 8.380 nan 0.000 0.471 261 D N 3.148 123.751 120.400 0.338 0.000 2.120 261 D HA 0.021 4.708 4.640 0.078 0.000 0.202 261 D C 1.121 177.507 176.300 0.143 0.000 0.972 261 D CA 1.439 55.560 54.000 0.202 0.000 0.837 261 D CB -0.165 40.765 40.800 0.217 0.000 0.989 261 D HN 0.731 nan 8.370 nan 0.000 0.469 262 G N 0.055 108.943 108.800 0.146 0.000 2.336 262 G HA2 -0.179 3.828 3.960 0.078 0.000 0.194 262 G HA3 -0.179 3.828 3.960 0.078 0.000 0.194 262 G C 0.267 175.139 174.900 -0.047 0.000 0.999 262 G CA -0.221 44.908 45.100 0.047 0.000 0.669 262 G HN 0.403 nan 8.290 nan 0.000 0.482 263 R N 0.527 120.987 120.500 -0.066 0.000 2.514 263 R HA 0.594 4.980 4.340 0.078 0.000 0.301 263 R C 0.674 176.674 176.300 -0.501 0.000 0.962 263 R CA -0.049 55.905 56.100 -0.242 0.000 0.882 263 R CB 1.613 31.797 30.300 -0.193 0.000 1.143 263 R HN 0.573 nan 8.270 nan 0.000 0.452 264 c N 1.580 119.862 118.600 -0.530 0.000 2.466 264 c HA 0.481 5.098 4.570 0.078 0.000 0.379 264 c C -0.063 173.620 174.090 -0.677 0.000 1.251 264 c CA -0.686 55.349 56.329 -0.489 0.000 2.263 264 c CB 0.307 42.644 42.510 -0.288 0.000 2.511 264 c HN 0.778 nan 8.230 nan 0.000 0.573 265 H N 4.186 123.206 119.070 -0.085 0.000 2.607 265 H HA 0.403 5.006 4.556 0.078 0.000 0.248 265 H C -0.570 174.752 175.328 -0.011 0.000 1.355 265 H CA -0.155 55.867 56.048 -0.043 0.000 1.524 265 H CB 0.679 30.410 29.762 -0.053 0.000 1.563 265 H HN 0.781 nan 8.280 nan 0.000 0.509 266 L N -1.266 120.005 121.223 0.079 0.000 2.334 266 L HA 0.547 4.934 4.340 0.078 0.000 0.270 266 L C 1.061 177.969 176.870 0.063 0.000 1.018 266 L CA -0.366 54.526 54.840 0.086 0.000 0.811 266 L CB 1.605 43.738 42.059 0.123 0.000 1.271 266 L HN 0.162 nan 8.230 nan 0.000 0.443 267 E N 0.200 120.428 120.200 0.047 0.000 2.508 267 E HA 0.035 4.431 4.350 0.078 0.000 0.217 267 E C -0.689 175.927 176.600 0.028 0.000 0.896 267 E CA 0.556 56.975 56.400 0.033 0.000 1.118 267 E CB 0.636 30.348 29.700 0.020 0.000 1.133 267 E HN 0.962 nan 8.360 nan 0.000 0.526 268 D N 0.160 120.579 120.400 0.031 0.000 2.997 268 D HA 0.111 4.798 4.640 0.078 0.000 0.362 268 D C -0.305 176.021 176.300 0.043 0.000 1.298 268 D CA -0.582 53.433 54.000 0.026 0.000 0.756 268 D CB -0.805 39.998 40.800 0.004 0.000 1.216 268 D HN -0.161 nan 8.370 nan 0.000 0.496 269 N N 0.341 119.085 118.700 0.072 0.000 2.696 269 N HA -0.222 4.565 4.740 0.078 0.000 0.249 269 N C -0.605 174.970 175.510 0.107 0.000 1.090 269 N CA 0.705 53.822 53.050 0.112 0.000 0.716 269 N CB -0.912 37.656 38.487 0.136 0.000 1.020 269 N HN 0.682 nan 8.380 nan 0.000 0.548 270 L N 0.272 121.567 121.223 0.121 0.000 2.543 270 L HA 0.329 4.716 4.340 0.078 0.000 0.265 270 L C -0.277 176.691 176.870 0.164 0.000 0.945 270 L CA -1.172 53.760 54.840 0.153 0.000 0.869 270 L CB 1.076 43.158 42.059 0.039 0.000 1.294 270 L HN 0.155 nan 8.230 nan 0.000 0.405 271 Y N 3.297 123.724 120.300 0.212 0.000 2.712 271 Y HA 0.263 4.861 4.550 0.080 0.000 0.333 271 Y C -0.151 175.806 175.900 0.095 0.000 1.225 271 Y CA 0.012 58.203 58.100 0.152 0.000 1.499 271 Y CB 0.469 39.032 38.460 0.172 0.000 1.288 271 Y HN 0.540 nan 8.280 nan 0.000 0.575 272 K N 4.210 124.546 120.400 -0.107 0.000 2.895 272 K HA 0.245 4.612 4.320 0.078 0.000 0.200 272 K C 0.278 176.877 176.600 -0.001 0.000 1.133 272 K CA -0.273 55.912 56.287 -0.171 0.000 1.060 272 K CB 0.573 32.989 32.500 -0.141 0.000 0.735 272 K HN 0.661 nan 8.250 nan 0.000 0.451 273 R N -0.492 120.061 120.500 0.089 0.000 2.412 273 R HA 0.040 4.427 4.340 0.078 0.000 0.212 273 R C 1.968 178.332 176.300 0.106 0.000 0.878 273 R CA 0.714 56.848 56.100 0.056 0.000 1.022 273 R CB -0.030 30.254 30.300 -0.027 0.000 1.265 273 R HN 0.171 nan 8.270 nan 0.000 0.620 274 S N 1.587 117.396 115.700 0.181 0.000 2.440 274 S HA -0.145 4.372 4.470 0.078 0.000 0.240 274 S C 1.366 176.081 174.600 0.192 0.000 1.014 274 S CA 1.362 59.669 58.200 0.178 0.000 0.980 274 S CB -0.195 63.027 63.200 0.038 0.000 0.775 274 S HN 0.178 nan 8.310 nan 0.000 0.499 275 N N 1.930 120.743 118.700 0.189 0.000 2.207 275 N HA 0.023 4.809 4.740 0.078 0.000 0.182 275 N C 0.591 176.172 175.510 0.119 0.000 1.020 275 N CA 1.181 54.307 53.050 0.126 0.000 0.858 275 N CB -0.431 38.123 38.487 0.112 0.000 0.991 275 N HN 0.581 nan 8.380 nan 0.000 0.427 276 E N -0.124 120.158 120.200 0.137 0.000 2.351 276 E HA 0.218 4.614 4.350 0.078 0.000 0.236 276 E C -0.960 175.767 176.600 0.213 0.000 1.341 276 E CA -0.173 56.304 56.400 0.129 0.000 1.579 276 E CB -0.484 29.273 29.700 0.094 0.000 1.393 276 E HN 0.228 nan 8.360 nan 0.000 0.438 277 F N -0.315 119.630 119.950 -0.008 0.000 2.669 277 F HA 0.300 4.873 4.527 0.077 0.000 0.315 277 F C -1.578 174.186 175.800 -0.059 0.000 1.109 277 F CA -1.226 56.760 58.000 -0.024 0.000 1.028 277 F CB 1.397 40.384 39.000 -0.022 0.000 1.287 277 F HN -0.185 nan 8.300 nan 0.000 0.452 278 D N 2.555 122.436 120.400 -0.865 0.000 2.388 278 D HA 0.279 4.965 4.640 0.078 0.000 0.254 278 D C -1.038 174.778 176.300 -0.808 0.000 1.111 278 D CA 0.136 53.792 54.000 -0.573 0.000 0.993 278 D CB 0.784 41.400 40.800 -0.307 0.000 1.118 278 D HN 0.474 nan 8.370 nan 0.000 0.502 279 Y N 0.545 120.634 120.300 -0.353 0.000 2.411 279 Y HA 0.216 4.812 4.550 0.077 0.000 0.333 279 Y C -1.450 174.373 175.900 -0.127 0.000 1.186 279 Y CA -1.546 56.452 58.100 -0.170 0.000 1.381 279 Y CB 0.552 38.990 38.460 -0.038 0.000 1.273 279 Y HN 0.242 nan 8.280 nan 0.000 0.546 280 P HA -0.032 nan 4.420 nan 0.000 0.263 280 P C -0.518 176.866 177.300 0.140 0.000 1.195 280 P CA -0.137 63.025 63.100 0.103 0.000 0.762 280 P CB 0.466 32.234 31.700 0.113 0.000 0.799 281 S N 2.270 118.019 115.700 0.083 0.000 2.572 281 S HA -0.030 4.487 4.470 0.078 0.000 0.267 281 S C 1.420 176.054 174.600 0.057 0.000 1.361 281 S CA -0.261 57.983 58.200 0.074 0.000 1.009 281 S CB 0.301 63.510 63.200 0.015 0.000 0.888 281 S HN 0.313 nan 8.310 nan 0.000 0.553 282 V N 2.398 122.307 119.914 -0.009 0.000 2.332 282 V HA 0.010 4.177 4.120 0.078 0.000 0.248 282 V C 2.056 178.126 176.094 -0.039 0.000 1.055 282 V CA 2.585 64.854 62.300 -0.053 0.000 1.038 282 V CB -1.383 30.302 31.823 -0.231 0.000 0.651 282 V HN 1.079 nan 8.190 nan 0.000 0.450 283 G N -1.501 107.267 108.800 -0.054 0.000 2.985 283 G HA2 -0.091 3.916 3.960 0.078 0.000 0.209 283 G HA3 -0.091 3.916 3.960 0.078 0.000 0.209 283 G C 1.254 176.137 174.900 -0.027 0.000 1.165 283 G CA 0.500 45.570 45.100 -0.051 0.000 0.776 283 G HN 0.607 nan 8.290 nan 0.000 0.541 284 Q N -0.285 119.510 119.800 -0.009 0.000 2.415 284 Q HA 0.280 4.667 4.340 0.078 0.000 0.206 284 Q C 1.641 177.650 176.000 0.016 0.000 0.946 284 Q CA 0.149 55.960 55.803 0.012 0.000 0.951 284 Q CB -0.031 28.720 28.738 0.021 0.000 1.026 284 Q HN 0.498 nan 8.270 nan 0.000 0.510 285 L N -1.543 119.676 121.223 -0.007 0.000 2.435 285 L HA 0.292 4.679 4.340 0.078 0.000 0.195 285 L C 2.201 179.036 176.870 -0.059 0.000 1.072 285 L CA 0.595 55.409 54.840 -0.043 0.000 0.833 285 L CB -0.539 41.487 42.059 -0.056 0.000 1.081 285 L HN 0.142 nan 8.230 nan 0.000 0.485 286 A N -0.624 122.165 122.820 -0.051 0.000 2.148 286 A HA -0.275 4.092 4.320 0.078 0.000 0.222 286 A C 2.072 179.623 177.584 -0.054 0.000 1.161 286 A CA 1.870 53.862 52.037 -0.075 0.000 0.662 286 A CB -0.944 18.011 19.000 -0.074 0.000 0.799 286 A HN 0.563 nan 8.150 nan 0.000 0.466 287 H N -1.160 117.839 119.070 -0.119 0.000 2.315 287 H HA 0.029 4.631 4.556 0.077 0.000 0.318 287 H C 2.158 177.415 175.328 -0.118 0.000 1.068 287 H CA 1.445 57.424 56.048 -0.115 0.000 1.465 287 H CB 0.031 29.737 29.762 -0.093 0.000 1.475 287 H HN 0.342 nan 8.280 nan 0.000 0.597 288 K N 1.104 121.421 120.400 -0.139 0.000 2.009 288 K HA -0.128 4.239 4.320 0.078 0.000 0.210 288 K C 2.415 178.872 176.600 -0.238 0.000 1.049 288 K CA 1.489 57.649 56.287 -0.210 0.000 0.929 288 K CB -0.909 31.540 32.500 -0.085 0.000 0.714 288 K HN 0.236 nan 8.250 nan 0.000 0.440 289 L N 0.593 121.698 121.223 -0.197 0.000 1.971 289 L HA -0.102 4.285 4.340 0.078 0.000 0.215 289 L C 2.062 178.784 176.870 -0.247 0.000 1.072 289 L CA 2.512 57.217 54.840 -0.226 0.000 0.758 289 L CB -1.148 40.796 42.059 -0.191 0.000 0.889 289 L HN 0.260 nan 8.230 nan 0.000 0.433 290 A N -1.557 121.126 122.820 -0.228 0.000 2.209 290 A HA -0.166 4.201 4.320 0.078 0.000 0.212 290 A C 2.231 179.670 177.584 -0.242 0.000 1.158 290 A CA 1.293 53.192 52.037 -0.231 0.000 0.742 290 A CB -0.680 18.190 19.000 -0.216 0.000 0.790 290 A HN 0.677 nan 8.150 nan 0.000 0.472 291 E N -0.008 120.022 120.200 -0.282 0.000 2.170 291 E HA -0.082 4.315 4.350 0.078 0.000 0.191 291 E C 0.505 176.966 176.600 -0.231 0.000 0.981 291 E CA 0.635 56.869 56.400 -0.277 0.000 0.830 291 E CB 0.007 29.487 29.700 -0.366 0.000 0.775 291 E HN 0.495 nan 8.360 nan 0.000 0.470 292 N N 1.268 119.812 118.700 -0.260 0.000 2.276 292 N HA 0.048 4.835 4.740 0.078 0.000 0.212 292 N C -0.846 174.493 175.510 -0.285 0.000 1.127 292 N CA 0.213 53.098 53.050 -0.275 0.000 0.834 292 N CB 0.089 38.366 38.487 -0.351 0.000 1.014 292 N HN 0.218 nan 8.380 nan 0.000 0.491 293 N N 0.092 118.642 118.700 -0.249 0.000 2.740 293 N HA -0.179 4.608 4.740 0.078 0.000 0.248 293 N C -1.077 174.272 175.510 -0.267 0.000 1.062 293 N CA 0.314 53.218 53.050 -0.242 0.000 0.704 293 N CB -1.150 37.221 38.487 -0.194 0.000 0.968 293 N HN 0.339 nan 8.380 nan 0.000 0.547 294 I N 0.480 120.872 120.570 -0.297 0.000 2.493 294 I HA 0.337 4.554 4.170 0.078 0.000 0.298 294 I C -0.257 175.718 176.117 -0.237 0.000 0.998 294 I CA -0.627 60.495 61.300 -0.297 0.000 1.137 294 I CB 1.724 39.476 38.000 -0.413 0.000 1.310 294 I HN -0.006 nan 8.210 nan 0.000 0.445 295 Q N 5.818 125.500 119.800 -0.196 0.000 2.350 295 Q HA 0.390 4.777 4.340 0.078 0.000 0.255 295 Q C -2.583 173.294 176.000 -0.205 0.000 0.951 295 Q CA -1.840 53.845 55.803 -0.197 0.000 0.751 295 Q CB 2.121 30.754 28.738 -0.175 0.000 1.296 295 Q HN 0.235 nan 8.270 nan 0.000 0.453 296 P HA 0.200 nan 4.420 nan 0.000 0.270 296 P C -0.231 176.796 177.300 -0.455 0.000 1.223 296 P CA 0.035 62.929 63.100 -0.344 0.000 0.785 296 P CB 0.771 32.181 31.700 -0.483 0.000 0.923 297 I N 2.217 122.562 120.570 -0.376 0.000 2.437 297 I HA 0.241 4.458 4.170 0.078 0.000 0.279 297 I C -0.268 175.688 176.117 -0.268 0.000 1.028 297 I CA -0.773 60.344 61.300 -0.305 0.000 1.142 297 I CB 0.354 38.270 38.000 -0.141 0.000 1.266 297 I HN 0.151 nan 8.210 nan 0.000 0.461 298 F N 4.889 124.776 119.950 -0.105 0.000 2.602 298 F HA 0.289 4.861 4.527 0.076 0.000 0.385 298 F C 0.938 176.676 175.800 -0.103 0.000 1.063 298 F CA -0.065 57.824 58.000 -0.186 0.000 1.233 298 F CB 0.415 39.261 39.000 -0.257 0.000 1.067 298 F HN 0.495 nan 8.300 nan 0.000 0.564 299 A N 4.005 126.873 122.820 0.081 0.000 2.768 299 A HA 0.642 5.009 4.320 0.078 0.000 0.298 299 A C -0.830 176.800 177.584 0.076 0.000 1.159 299 A CA -0.369 51.710 52.037 0.071 0.000 0.783 299 A CB 0.222 19.246 19.000 0.041 0.000 1.333 299 A HN 0.811 nan 8.150 nan 0.000 0.412 300 V N -0.685 119.301 119.914 0.120 0.000 3.087 300 V HA 0.901 5.068 4.120 0.078 0.000 0.311 300 V C 0.424 176.610 176.094 0.155 0.000 1.333 300 V CA -0.218 62.179 62.300 0.163 0.000 1.054 300 V CB 0.790 32.789 31.823 0.293 0.000 1.123 300 V HN 1.220 nan 8.190 nan 0.000 0.473 301 T N -0.611 114.040 114.554 0.162 0.000 2.748 301 T HA 0.213 4.610 4.350 0.078 0.000 0.304 301 T C 1.297 176.069 174.700 0.121 0.000 1.041 301 T CA 0.461 62.636 62.100 0.125 0.000 1.033 301 T CB 0.670 69.606 68.868 0.114 0.000 0.995 301 T HN 1.769 nan 8.240 nan 0.000 0.536 302 S N -0.156 115.598 115.700 0.090 0.000 2.481 302 S HA -0.088 4.429 4.470 0.078 0.000 0.231 302 S C 1.897 176.538 174.600 0.068 0.000 0.996 302 S CA 0.251 58.497 58.200 0.076 0.000 0.942 302 S CB -0.524 62.712 63.200 0.060 0.000 0.768 302 S HN 0.769 nan 8.310 nan 0.000 0.520 303 R N 0.197 120.741 120.500 0.072 0.000 2.189 303 R HA 0.181 4.568 4.340 0.078 0.000 0.218 303 R C 0.844 177.179 176.300 0.058 0.000 1.074 303 R CA 0.875 57.010 56.100 0.058 0.000 0.991 303 R CB -0.052 30.284 30.300 0.060 0.000 0.883 303 R HN 0.380 nan 8.270 nan 0.000 0.457 304 M N 0.233 119.890 119.600 0.096 0.000 2.589 304 M HA 0.053 4.580 4.480 0.078 0.000 0.344 304 M C 1.156 177.533 176.300 0.128 0.000 1.168 304 M CA 0.055 55.406 55.300 0.086 0.000 0.956 304 M CB 0.993 33.707 32.600 0.190 0.000 1.370 304 M HN -0.025 nan 8.290 nan 0.000 0.518 305 V N 1.135 121.113 119.914 0.107 0.000 2.407 305 V HA -0.086 4.081 4.120 0.078 0.000 0.245 305 V C 1.845 177.971 176.094 0.055 0.000 1.041 305 V CA 1.838 64.207 62.300 0.116 0.000 1.040 305 V CB 0.073 31.949 31.823 0.089 0.000 0.671 305 V HN 0.415 nan 8.190 nan 0.000 0.455 306 K N -0.697 119.710 120.400 0.013 0.000 2.444 306 K HA 0.035 4.402 4.320 0.078 0.000 0.193 306 K C 1.858 178.423 176.600 -0.058 0.000 1.024 306 K CA 0.883 57.162 56.287 -0.014 0.000 1.077 306 K CB 0.170 32.667 32.500 -0.005 0.000 0.833 306 K HN 0.494 nan 8.250 nan 0.000 0.517 307 T N -0.692 113.796 114.554 -0.108 0.000 2.976 307 T HA -0.044 4.352 4.350 0.078 0.000 0.257 307 T C 1.276 175.785 174.700 -0.320 0.000 1.051 307 T CA 0.786 62.777 62.100 -0.182 0.000 1.141 307 T CB -0.021 68.728 68.868 -0.200 0.000 0.881 307 T HN 0.122 nan 8.240 nan 0.000 0.461 308 Y N 1.357 121.485 120.300 -0.286 0.000 2.516 308 Y HA 0.225 4.802 4.550 0.044 0.000 0.291 308 Y C 2.322 177.914 175.900 -0.513 0.000 1.131 308 Y CA 0.528 58.249 58.100 -0.632 0.000 1.281 308 Y CB -0.279 37.726 38.460 -0.759 0.000 1.013 308 Y HN 0.301 nan 8.280 nan 0.000 0.554 309 E N 0.810 120.934 120.200 -0.127 0.000 2.072 309 E HA -0.142 4.254 4.350 0.078 0.000 0.191 309 E C 1.859 178.413 176.600 -0.078 0.000 0.985 309 E CA 1.355 57.713 56.400 -0.071 0.000 0.801 309 E CB 0.017 29.702 29.700 -0.025 0.000 0.750 309 E HN -0.028 nan 8.360 nan 0.000 0.452 310 K N 0.064 120.411 120.400 -0.090 0.000 2.283 310 K HA -0.083 4.284 4.320 0.078 0.000 0.202 310 K C 1.936 178.483 176.600 -0.089 0.000 1.048 310 K CA 0.576 56.820 56.287 -0.072 0.000 0.948 310 K CB -0.329 32.133 32.500 -0.063 0.000 0.742 310 K HN 0.235 nan 8.250 nan 0.000 0.458 311 L N 1.126 122.254 121.223 -0.159 0.000 2.313 311 L HA -0.025 4.361 4.340 0.078 0.000 0.214 311 L C 1.724 178.549 176.870 -0.075 0.000 1.119 311 L CA 1.658 56.396 54.840 -0.171 0.000 0.809 311 L CB -0.606 41.232 42.059 -0.369 0.000 0.933 311 L HN 0.008 nan 8.230 nan 0.000 0.449 312 T N -0.453 114.065 114.554 -0.060 0.000 2.821 312 T HA -0.095 4.302 4.350 0.078 0.000 0.267 312 T C 1.650 176.386 174.700 0.060 0.000 1.046 312 T CA 1.201 63.350 62.100 0.082 0.000 1.139 312 T CB -0.092 68.828 68.868 0.087 0.000 0.871 312 T HN 0.358 nan 8.240 nan 0.000 0.454 313 E N 1.032 121.242 120.200 0.017 0.000 2.038 313 E HA -0.103 4.294 4.350 0.078 0.000 0.195 313 E C 2.228 178.831 176.600 0.005 0.000 1.000 313 E CA 0.918 57.326 56.400 0.013 0.000 0.803 313 E CB -0.353 29.342 29.700 -0.009 0.000 0.750 313 E HN 0.364 nan 8.360 nan 0.000 0.448 314 I N 1.194 121.756 120.570 -0.013 0.000 2.087 314 I HA -0.126 4.091 4.170 0.078 0.000 0.231 314 I C 1.848 177.946 176.117 -0.033 0.000 1.058 314 I CA 0.377 61.658 61.300 -0.032 0.000 1.328 314 I CB -0.966 37.007 38.000 -0.044 0.000 1.079 314 I HN 0.075 nan 8.210 nan 0.000 0.397 315 I N 2.394 122.957 120.570 -0.012 0.000 2.692 315 I HA 0.033 4.250 4.170 0.078 0.000 0.284 315 I C -2.015 174.088 176.117 -0.023 0.000 1.159 315 I CA -1.259 60.023 61.300 -0.029 0.000 1.423 315 I CB 1.076 39.080 38.000 0.006 0.000 1.380 315 I HN 0.019 nan 8.210 nan 0.000 0.580 316 P HA 0.141 nan 4.420 nan 0.000 0.277 316 P C -1.409 175.908 177.300 0.028 0.000 1.271 316 P CA -0.505 62.533 63.100 -0.104 0.000 0.795 316 P CB 0.272 31.658 31.700 -0.523 0.000 1.101 317 K N -0.588 119.947 120.400 0.226 0.000 4.814 317 K HA -0.060 4.307 4.320 0.078 0.000 0.295 317 K C -0.664 175.941 176.600 0.009 0.000 0.828 317 K CA 0.685 57.053 56.287 0.135 0.000 0.895 317 K CB -2.151 30.392 32.500 0.072 0.000 1.810 317 K HN 0.675 nan 8.250 nan 0.000 0.418 318 S N -0.802 114.925 115.700 0.045 0.000 2.562 318 S HA 0.741 5.258 4.470 0.078 0.000 0.274 318 S C -0.776 173.893 174.600 0.114 0.000 1.160 318 S CA -0.620 57.580 58.200 0.000 0.000 0.933 318 S CB 2.287 65.527 63.200 0.066 0.000 1.100 318 S HN 0.545 nan 8.310 nan 0.000 0.468 319 A N 1.892 124.761 122.820 0.082 0.000 2.330 319 A HA 0.936 5.303 4.320 0.078 0.000 0.329 319 A C -0.031 177.687 177.584 0.223 0.000 1.135 319 A CA -0.684 51.430 52.037 0.128 0.000 0.817 319 A CB 1.327 20.363 19.000 0.060 0.000 1.269 319 A HN 1.998 nan 8.150 nan 0.000 0.469 320 V N -0.913 119.106 119.914 0.174 0.000 2.459 320 V HA 0.865 5.032 4.120 0.078 0.000 0.295 320 V C 0.146 176.312 176.094 0.121 0.000 1.029 320 V CA 0.064 62.465 62.300 0.169 0.000 0.874 320 V CB 1.069 32.962 31.823 0.116 0.000 0.985 320 V HN 1.389 nan 8.190 nan 0.000 0.438 321 G N 3.106 111.979 108.800 0.122 0.000 2.814 321 G HA2 0.448 4.454 3.960 0.078 0.000 0.300 321 G HA3 0.448 4.454 3.960 0.078 0.000 0.300 321 G C -0.626 174.333 174.900 0.097 0.000 1.406 321 G CA -0.329 44.829 45.100 0.096 0.000 1.041 321 G HN 0.806 nan 8.290 nan 0.000 0.532 322 E N 2.662 122.914 120.200 0.088 0.000 2.259 322 E HA 0.406 4.803 4.350 0.078 0.000 0.281 322 E C -0.606 176.039 176.600 0.076 0.000 1.037 322 E CA -0.243 56.208 56.400 0.085 0.000 0.854 322 E CB 1.108 30.852 29.700 0.074 0.000 1.051 322 E HN 0.430 nan 8.360 nan 0.000 0.409 323 L N 1.007 122.277 121.223 0.079 0.000 2.341 323 L HA 0.601 4.988 4.340 0.078 0.000 0.254 323 L C -0.051 176.859 176.870 0.068 0.000 1.040 323 L CA -1.026 53.857 54.840 0.071 0.000 0.837 323 L CB 1.056 43.160 42.059 0.076 0.000 1.425 323 L HN 0.120 nan 8.230 nan 0.000 0.414 324 S N -0.438 115.299 115.700 0.060 0.000 2.614 324 S HA 0.177 4.693 4.470 0.078 0.000 0.265 324 S C 0.710 175.345 174.600 0.058 0.000 1.303 324 S CA -0.102 58.131 58.200 0.055 0.000 1.000 324 S CB 0.871 64.098 63.200 0.046 0.000 0.935 324 S HN 0.781 nan 8.310 nan 0.000 0.551 325 E N 1.101 121.334 120.200 0.054 0.000 2.526 325 E HA -0.078 4.319 4.350 0.078 0.000 0.198 325 E C 0.560 177.188 176.600 0.046 0.000 1.091 325 E CA 0.549 56.982 56.400 0.054 0.000 0.880 325 E CB -0.234 29.497 29.700 0.052 0.000 0.873 325 E HN 0.611 nan 8.360 nan 0.000 0.527 326 D N -2.081 118.346 120.400 0.044 0.000 2.407 326 D HA 0.054 4.740 4.640 0.078 0.000 0.208 326 D C 0.061 176.388 176.300 0.045 0.000 1.083 326 D CA 0.284 54.306 54.000 0.036 0.000 0.844 326 D CB -0.224 40.593 40.800 0.028 0.000 0.967 326 D HN -0.045 nan 8.370 nan 0.000 0.506 327 S N -0.772 114.964 115.700 0.061 0.000 3.641 327 S HA -0.220 4.297 4.470 0.078 0.000 0.346 327 S C 1.280 175.922 174.600 0.070 0.000 1.074 327 S CA 0.806 59.055 58.200 0.081 0.000 1.026 327 S CB -2.166 61.097 63.200 0.104 0.000 0.908 327 S HN 0.656 nan 8.310 nan 0.000 0.479 328 S N 1.166 116.899 115.700 0.054 0.000 2.421 328 S HA -0.037 4.479 4.470 0.078 0.000 0.224 328 S C 0.916 175.545 174.600 0.049 0.000 1.035 328 S CA 0.555 58.781 58.200 0.042 0.000 0.953 328 S CB -0.284 62.935 63.200 0.032 0.000 0.810 328 S HN 0.758 nan 8.310 nan 0.000 0.497 329 N N 1.875 120.609 118.700 0.056 0.000 2.802 329 N HA 0.174 4.961 4.740 0.078 0.000 0.288 329 N C 0.592 176.146 175.510 0.075 0.000 1.268 329 N CA -0.218 52.867 53.050 0.059 0.000 1.035 329 N CB 0.415 38.935 38.487 0.054 0.000 1.353 329 N HN 0.291 nan 8.380 nan 0.000 0.522 330 V N -0.420 119.547 119.914 0.089 0.000 2.878 330 V HA -0.010 4.157 4.120 0.078 0.000 0.250 330 V C 1.456 177.623 176.094 0.121 0.000 1.075 330 V CA 0.826 63.199 62.300 0.122 0.000 1.096 330 V CB 0.053 31.983 31.823 0.179 0.000 0.724 330 V HN 0.256 nan 8.190 nan 0.000 0.467 331 V N 0.050 120.022 119.914 0.096 0.000 2.871 331 V HA -0.146 4.021 4.120 0.078 0.000 0.256 331 V C 2.232 178.375 176.094 0.083 0.000 1.082 331 V CA 1.801 64.154 62.300 0.089 0.000 1.105 331 V CB -0.540 31.323 31.823 0.066 0.000 0.713 331 V HN 0.648 nan 8.190 nan 0.000 0.473 332 Q N -0.169 119.676 119.800 0.075 0.000 2.472 332 Q HA -0.011 4.376 4.340 0.078 0.000 0.208 332 Q C 2.010 178.055 176.000 0.075 0.000 0.958 332 Q CA 0.622 56.467 55.803 0.070 0.000 0.932 332 Q CB -0.053 28.721 28.738 0.060 0.000 1.007 332 Q HN 0.620 nan 8.270 nan 0.000 0.508 333 L N 0.015 121.286 121.223 0.080 0.000 2.046 333 L HA -0.199 4.188 4.340 0.078 0.000 0.208 333 L C 1.990 178.901 176.870 0.069 0.000 1.077 333 L CA 1.141 56.025 54.840 0.073 0.000 0.747 333 L CB -0.257 41.846 42.059 0.073 0.000 0.896 333 L HN 0.349 nan 8.230 nan 0.000 0.432 334 I N -0.709 119.912 120.570 0.085 0.000 3.059 334 I HA -0.139 4.078 4.170 0.078 0.000 0.270 334 I C 2.337 178.548 176.117 0.156 0.000 1.238 334 I CA 0.294 61.652 61.300 0.096 0.000 1.478 334 I CB -0.136 37.935 38.000 0.119 0.000 1.097 334 I HN 0.126 nan 8.210 nan 0.000 0.455 335 K N 1.786 122.263 120.400 0.129 0.000 2.283 335 K HA -0.091 4.276 4.320 0.078 0.000 0.202 335 K C 1.299 177.969 176.600 0.116 0.000 1.048 335 K CA 1.457 57.820 56.287 0.126 0.000 0.948 335 K CB -0.101 32.452 32.500 0.088 0.000 0.742 335 K HN 0.201 nan 8.250 nan 0.000 0.458 336 N N -0.191 118.565 118.700 0.094 0.000 2.299 336 N HA 0.148 4.935 4.740 0.078 0.000 0.187 336 N C 0.853 176.404 175.510 0.068 0.000 1.099 336 N CA 0.704 53.801 53.050 0.079 0.000 0.867 336 N CB 0.495 39.022 38.487 0.067 0.000 0.974 336 N HN 0.253 nan 8.380 nan 0.000 0.477 337 A N 0.402 123.256 122.820 0.056 0.000 1.832 337 A HA -0.014 4.352 4.320 0.078 0.000 0.214 337 A C 1.603 179.178 177.584 -0.014 0.000 1.242 337 A CA 0.756 52.779 52.037 -0.023 0.000 0.603 337 A CB -1.177 17.755 19.000 -0.115 0.000 0.902 337 A HN 0.211 nan 8.150 nan 0.000 0.455 338 Y N 0.826 121.160 120.300 0.057 0.000 2.298 338 Y HA -0.279 4.318 4.550 0.079 0.000 0.287 338 Y C 2.535 178.471 175.900 0.061 0.000 1.164 338 Y CA 1.347 59.486 58.100 0.064 0.000 1.229 338 Y CB -0.355 38.142 38.460 0.061 0.000 0.977 338 Y HN 0.468 nan 8.280 nan 0.000 0.538 339 N N 0.798 119.611 118.700 0.189 0.000 2.037 339 N HA -0.203 4.584 4.740 0.078 0.000 0.196 339 N C 0.790 176.362 175.510 0.103 0.000 1.034 339 N CA 1.738 54.864 53.050 0.127 0.000 0.861 339 N CB -0.051 38.494 38.487 0.096 0.000 1.039 339 N HN 0.118 nan 8.380 nan 0.000 0.427 340 K N -0.487 119.964 120.400 0.085 0.000 2.619 340 K HA 0.163 4.529 4.320 0.078 0.000 0.201 340 K C 0.386 177.021 176.600 0.058 0.000 1.090 340 K CA -0.168 56.160 56.287 0.068 0.000 1.063 340 K CB 0.634 33.168 32.500 0.057 0.000 0.810 340 K HN 0.179 nan 8.250 nan 0.000 0.506 341 L N -0.378 120.881 121.223 0.061 0.000 2.577 341 L HA 0.252 4.639 4.340 0.078 0.000 0.225 341 L C 1.212 178.143 176.870 0.102 0.000 1.053 341 L CA 1.219 56.081 54.840 0.037 0.000 0.866 341 L CB 0.410 42.436 42.059 -0.055 0.000 1.132 341 L HN -0.134 nan 8.230 nan 0.000 0.486 342 S N -0.904 114.897 115.700 0.168 0.000 2.603 342 S HA 0.068 4.585 4.470 0.078 0.000 0.220 342 S C 1.656 176.381 174.600 0.208 0.000 0.967 342 S CA 0.787 59.142 58.200 0.259 0.000 0.920 342 S CB -0.079 63.319 63.200 0.330 0.000 0.773 342 S HN 0.459 nan 8.310 nan 0.000 0.529 343 S N 0.968 116.751 115.700 0.137 0.000 2.502 343 S HA 0.184 4.701 4.470 0.078 0.000 0.228 343 S C 0.756 175.375 174.600 0.031 0.000 1.061 343 S CA -0.127 58.128 58.200 0.093 0.000 0.935 343 S CB 0.207 63.448 63.200 0.068 0.000 0.809 343 S HN 0.358 nan 8.310 nan 0.000 0.510 344 R N 2.620 123.107 120.500 -0.021 0.000 2.609 344 R HA 0.203 4.590 4.340 0.078 0.000 0.271 344 R C -1.051 175.069 176.300 -0.299 0.000 1.403 344 R CA -0.075 55.879 56.100 -0.243 0.000 1.138 344 R CB -0.079 30.061 30.300 -0.266 0.000 1.142 344 R HN 0.093 nan 8.270 nan 0.000 0.559 345 V N 5.107 124.881 119.914 -0.234 0.000 2.470 345 V HA 0.137 4.304 4.120 0.078 0.000 0.276 345 V C 0.244 176.082 176.094 -0.426 0.000 1.040 345 V CA 0.351 62.526 62.300 -0.209 0.000 1.008 345 V CB -0.012 31.786 31.823 -0.042 0.000 0.990 345 V HN 0.440 nan 8.190 nan 0.000 0.477 346 F N 4.365 124.234 119.950 -0.135 0.000 2.523 346 F HA 0.688 5.260 4.527 0.075 0.000 0.329 346 F C 0.148 175.720 175.800 -0.381 0.000 1.061 346 F CA -0.733 57.137 58.000 -0.218 0.000 0.967 346 F CB 1.967 40.915 39.000 -0.087 0.000 1.218 346 F HN 0.280 nan 8.300 nan 0.000 0.480 347 L N 2.233 123.333 121.223 -0.205 0.000 2.806 347 L HA 0.295 4.682 4.340 0.078 0.000 0.319 347 L C -0.933 175.729 176.870 -0.347 0.000 1.307 347 L CA 0.002 54.609 54.840 -0.389 0.000 0.710 347 L CB -0.483 41.078 42.059 -0.831 0.000 1.093 347 L HN 0.428 nan 8.230 nan 0.000 0.546 348 D N 0.082 120.394 120.400 -0.147 0.000 2.478 348 D HA 0.510 5.197 4.640 0.078 0.000 0.274 348 D C -0.094 176.317 176.300 0.184 0.000 1.234 348 D CA 0.134 54.109 54.000 -0.042 0.000 1.069 348 D CB 0.567 41.269 40.800 -0.163 0.000 1.113 348 D HN 0.421 nan 8.370 nan 0.000 0.571 349 H N -1.894 117.222 119.070 0.077 0.000 3.008 349 H HA 0.372 4.975 4.556 0.078 0.000 0.354 349 H C -0.766 174.616 175.328 0.090 0.000 1.252 349 H CA -0.884 55.254 56.048 0.149 0.000 1.117 349 H CB 0.160 30.068 29.762 0.243 0.000 1.857 349 H HN 0.060 nan 8.280 nan 0.000 0.547 350 N N 0.122 118.935 118.700 0.187 0.000 2.407 350 N HA 0.159 4.946 4.740 0.078 0.000 0.250 350 N C 0.140 175.675 175.510 0.042 0.000 1.236 350 N CA 0.414 53.520 53.050 0.093 0.000 0.879 350 N CB 0.381 38.959 38.487 0.151 0.000 1.088 350 N HN 0.717 nan 8.380 nan 0.000 0.450 351 A N 2.435 125.242 122.820 -0.022 0.000 2.512 351 A HA 0.109 4.475 4.320 0.078 0.000 0.278 351 A C 0.283 177.870 177.584 0.006 0.000 1.128 351 A CA -0.197 51.817 52.037 -0.040 0.000 0.818 351 A CB -1.198 17.777 19.000 -0.041 0.000 1.044 351 A HN 0.591 nan 8.150 nan 0.000 0.526 352 L N 2.825 124.058 121.223 0.017 0.000 2.464 352 L HA 0.627 5.014 4.340 0.078 0.000 0.264 352 L C -1.817 175.031 176.870 -0.035 0.000 1.199 352 L CA -1.750 53.067 54.840 -0.039 0.000 0.818 352 L CB -0.900 41.066 42.059 -0.156 0.000 1.102 352 L HN 0.422 nan 8.230 nan 0.000 0.473 353 P HA 0.055 nan 4.420 nan 0.000 0.269 353 P C -0.305 176.970 177.300 -0.043 0.000 1.215 353 P CA -0.149 62.932 63.100 -0.032 0.000 0.780 353 P CB 0.482 32.169 31.700 -0.023 0.000 0.898 354 D N -0.345 120.028 120.400 -0.044 0.000 2.263 354 D HA -0.157 4.530 4.640 0.078 0.000 0.208 354 D C 1.158 177.421 176.300 -0.062 0.000 0.971 354 D CA 1.536 55.502 54.000 -0.056 0.000 0.867 354 D CB -1.399 39.356 40.800 -0.074 0.000 0.929 354 D HN 0.447 nan 8.370 nan 0.000 0.492 355 T N -2.211 112.313 114.554 -0.051 0.000 3.227 355 T HA 0.202 4.599 4.350 0.078 0.000 0.257 355 T C 0.696 175.377 174.700 -0.032 0.000 1.162 355 T CA -0.100 61.977 62.100 -0.039 0.000 1.051 355 T CB -0.445 68.406 68.868 -0.028 0.000 0.953 355 T HN 0.136 nan 8.240 nan 0.000 0.535 356 L N -0.115 121.080 121.223 -0.047 0.000 2.376 356 L HA 0.670 5.056 4.340 0.078 0.000 0.258 356 L C -0.791 176.042 176.870 -0.061 0.000 1.013 356 L CA -1.269 53.534 54.840 -0.062 0.000 0.822 356 L CB 2.272 44.263 42.059 -0.113 0.000 1.388 356 L HN -0.186 nan 8.230 nan 0.000 0.413 357 K N 2.004 122.365 120.400 -0.065 0.000 2.535 357 K HA 0.630 4.997 4.320 0.078 0.000 0.250 357 K C -1.449 175.090 176.600 -0.102 0.000 0.948 357 K CA -0.531 55.726 56.287 -0.051 0.000 0.796 357 K CB 2.693 35.191 32.500 -0.004 0.000 1.216 357 K HN 0.241 nan 8.250 nan 0.000 0.432 358 V N 1.710 121.543 119.914 -0.135 0.000 2.715 358 V HA 0.641 4.808 4.120 0.078 0.000 0.310 358 V C 0.277 176.266 176.094 -0.174 0.000 1.054 358 V CA -0.596 61.552 62.300 -0.253 0.000 0.928 358 V CB 1.998 33.504 31.823 -0.528 0.000 1.007 358 V HN 1.014 nan 8.190 nan 0.000 0.437 359 T N 0.499 114.874 114.554 -0.298 0.000 2.804 359 T HA 0.833 5.229 4.350 0.078 0.000 0.290 359 T C -1.391 173.051 174.700 -0.430 0.000 1.099 359 T CA -0.651 61.355 62.100 -0.157 0.000 1.011 359 T CB 1.986 70.817 68.868 -0.062 0.000 1.291 359 T HN 0.367 nan 8.240 nan 0.000 0.523 360 Y N -1.114 119.168 120.300 -0.031 0.000 2.677 360 Y HA 0.719 5.317 4.550 0.079 0.000 0.334 360 Y C -0.851 175.066 175.900 0.028 0.000 1.154 360 Y CA -0.976 57.117 58.100 -0.011 0.000 1.070 360 Y CB 1.588 40.044 38.460 -0.008 0.000 1.294 360 Y HN 0.716 nan 8.280 nan 0.000 0.475 361 D N -0.811 119.751 120.400 0.271 0.000 2.533 361 D HA 0.743 5.430 4.640 0.078 0.000 0.247 361 D C -1.396 175.072 176.300 0.279 0.000 1.056 361 D CA -0.711 53.406 54.000 0.195 0.000 1.054 361 D CB 2.117 43.006 40.800 0.148 0.000 1.400 361 D HN 0.353 nan 8.370 nan 0.000 0.533 362 S N -0.076 115.706 115.700 0.136 0.000 2.575 362 S HA 0.523 5.040 4.470 0.078 0.000 0.278 362 S C -1.304 173.237 174.600 -0.098 0.000 1.139 362 S CA -0.570 57.712 58.200 0.136 0.000 0.954 362 S CB 0.763 64.091 63.200 0.213 0.000 1.054 362 S HN 0.306 nan 8.310 nan 0.000 0.483 363 F N 1.611 121.535 119.950 -0.044 0.000 2.622 363 F HA 0.310 4.884 4.527 0.078 0.000 0.338 363 F C 0.469 176.215 175.800 -0.089 0.000 1.334 363 F CA -0.649 57.315 58.000 -0.060 0.000 1.179 363 F CB 0.342 39.296 39.000 -0.076 0.000 1.471 363 F HN 0.503 nan 8.300 nan 0.000 0.576 364 c N 0.535 119.173 118.600 0.063 0.000 2.801 364 c HA 0.044 4.661 4.570 0.078 0.000 0.376 364 c C 2.229 176.348 174.090 0.049 0.000 1.323 364 c CA 0.686 57.039 56.329 0.040 0.000 2.170 364 c CB 0.822 43.355 42.510 0.039 0.000 2.650 364 c HN 0.861 nan 8.230 nan 0.000 0.736 365 S N 1.228 116.946 115.700 0.031 0.000 2.388 365 S HA -0.082 4.434 4.470 0.078 0.000 0.223 365 S C 0.552 175.165 174.600 0.022 0.000 1.034 365 S CA 0.770 58.985 58.200 0.025 0.000 0.963 365 S CB -0.550 62.661 63.200 0.018 0.000 0.827 365 S HN 0.882 nan 8.310 nan 0.000 0.481 366 N N 2.035 120.745 118.700 0.017 0.000 2.739 366 N HA 0.448 5.235 4.740 0.078 0.000 0.266 366 N C 1.012 176.522 175.510 0.000 0.000 1.168 366 N CA 0.286 53.342 53.050 0.010 0.000 1.055 366 N CB -0.172 38.321 38.487 0.011 0.000 1.393 366 N HN 0.573 nan 8.380 nan 0.000 0.514 367 G N -0.128 108.674 108.800 0.004 0.000 2.417 367 G HA2 -0.322 3.685 3.960 0.078 0.000 0.233 367 G HA3 -0.322 3.685 3.960 0.078 0.000 0.233 367 G C -0.088 174.791 174.900 -0.035 0.000 1.103 367 G CA 0.251 45.345 45.100 -0.009 0.000 0.647 367 G HN 0.564 nan 8.290 nan 0.000 0.512 368 V N 2.234 122.105 119.914 -0.072 0.000 2.529 368 V HA 0.426 4.593 4.120 0.078 0.000 0.292 368 V C 0.763 176.722 176.094 -0.226 0.000 1.028 368 V CA 1.266 63.444 62.300 -0.203 0.000 1.074 368 V CB 1.192 32.867 31.823 -0.247 0.000 0.958 368 V HN 0.365 nan 8.190 nan 0.000 0.481 369 T N 4.782 119.142 114.554 -0.324 0.000 3.368 369 T HA 0.309 4.705 4.350 0.078 0.000 0.321 369 T C 0.011 174.416 174.700 -0.491 0.000 1.830 369 T CA -0.246 61.583 62.100 -0.451 0.000 1.494 369 T CB -0.544 68.209 68.868 -0.192 0.000 1.045 369 T HN 0.750 nan 8.240 nan 0.000 0.729 370 H N 1.656 120.472 119.070 -0.424 0.000 2.603 370 H HA 0.601 5.204 4.556 0.077 0.000 0.370 370 H C 0.571 175.716 175.328 -0.305 0.000 1.225 370 H CA -0.400 55.487 56.048 -0.268 0.000 1.410 370 H CB 0.770 30.442 29.762 -0.151 0.000 1.495 370 H HN 0.227 nan 8.280 nan 0.000 0.602 371 R N 1.510 122.019 120.500 0.015 0.000 2.536 371 R HA 0.153 4.540 4.340 0.078 0.000 0.269 371 R C -1.283 175.025 176.300 0.013 0.000 1.113 371 R CA -1.073 55.017 56.100 -0.017 0.000 0.948 371 R CB 1.419 31.701 30.300 -0.030 0.000 1.237 371 R HN 0.805 nan 8.270 nan 0.000 0.441 372 N N 2.922 121.638 118.700 0.027 0.000 2.471 372 N HA -0.167 4.620 4.740 0.078 0.000 0.286 372 N C -1.326 174.197 175.510 0.021 0.000 1.327 372 N CA 1.050 54.116 53.050 0.026 0.000 0.657 372 N CB -0.445 38.050 38.487 0.013 0.000 0.901 372 N HN 0.715 nan 8.380 nan 0.000 0.531 373 Q N -0.614 119.217 119.800 0.052 0.000 2.686 373 Q HA 0.263 4.650 4.340 0.078 0.000 0.266 373 Q C -2.608 173.464 176.000 0.119 0.000 0.965 373 Q CA -1.078 54.751 55.803 0.042 0.000 0.894 373 Q CB 2.844 31.560 28.738 -0.037 0.000 1.583 373 Q HN 0.115 nan 8.270 nan 0.000 0.405 374 P HA 0.054 nan 4.420 nan 0.000 0.280 374 P C -0.288 176.955 177.300 -0.095 0.000 1.278 374 P CA 0.163 63.355 63.100 0.153 0.000 0.787 374 P CB 0.592 32.356 31.700 0.108 0.000 1.163 375 R N -2.820 117.496 120.500 -0.307 0.000 3.868 375 R HA -0.128 4.258 4.340 0.078 0.000 0.476 375 R C 0.589 176.626 176.300 -0.437 0.000 0.241 375 R CA 1.235 57.162 56.100 -0.288 0.000 1.496 375 R CB -1.938 28.337 30.300 -0.043 0.000 1.052 375 R HN 0.866 nan 8.270 nan 0.000 0.541 376 G N 0.288 108.912 108.800 -0.294 0.000 5.252 376 G HA2 0.102 4.109 3.960 0.078 0.000 0.214 376 G HA3 0.102 4.109 3.960 0.078 0.000 0.214 376 G C -1.254 173.603 174.900 -0.071 0.000 0.817 376 G CA -0.017 44.893 45.100 -0.317 0.000 0.715 376 G HN 0.504 nan 8.290 nan 0.000 0.480 377 D N 0.883 121.231 120.400 -0.085 0.000 2.359 377 D HA 0.154 4.841 4.640 0.078 0.000 0.273 377 D C -0.126 176.168 176.300 -0.009 0.000 1.362 377 D CA 0.153 54.080 54.000 -0.123 0.000 1.010 377 D CB 0.015 40.777 40.800 -0.063 0.000 1.090 377 D HN 0.058 nan 8.370 nan 0.000 0.521 378 c N 4.372 122.968 118.600 -0.007 0.000 2.647 378 c HA 0.181 4.798 4.570 0.078 0.000 0.273 378 c C 0.503 174.602 174.090 0.015 0.000 1.088 378 c CA -1.025 55.337 56.329 0.055 0.000 1.529 378 c CB 0.275 42.848 42.510 0.106 0.000 1.810 378 c HN 0.495 nan 8.230 nan 0.000 0.422 379 D N 1.651 122.058 120.400 0.012 0.000 2.870 379 D HA 0.259 4.946 4.640 0.078 0.000 0.241 379 D C 1.091 177.410 176.300 0.032 0.000 1.234 379 D CA 0.344 54.350 54.000 0.011 0.000 0.844 379 D CB -0.190 40.617 40.800 0.011 0.000 1.051 379 D HN 0.796 nan 8.370 nan 0.000 0.469 380 G N -0.100 108.724 108.800 0.039 0.000 5.302 380 G HA2 0.371 4.377 3.960 0.078 0.000 0.223 380 G HA3 0.371 4.377 3.960 0.078 0.000 0.223 380 G C -0.594 174.334 174.900 0.046 0.000 0.832 380 G CA -0.089 45.036 45.100 0.040 0.000 0.714 380 G HN 0.221 nan 8.290 nan 0.000 0.444 381 V N -2.067 117.883 119.914 0.060 0.000 2.932 381 V HA 0.832 4.999 4.120 0.078 0.000 0.307 381 V C -0.170 175.980 176.094 0.093 0.000 1.147 381 V CA -0.640 61.703 62.300 0.072 0.000 0.951 381 V CB 1.471 33.346 31.823 0.087 0.000 1.031 381 V HN 0.400 nan 8.190 nan 0.000 0.426 382 Q N 3.927 123.778 119.800 0.084 0.000 1.749 382 Q HA 0.491 4.878 4.340 0.078 0.000 0.148 382 Q C 1.120 177.167 176.000 0.078 0.000 0.429 382 Q CA -0.203 55.656 55.803 0.093 0.000 0.698 382 Q CB 0.763 29.544 28.738 0.072 0.000 0.863 382 Q HN 0.536 nan 8.270 nan 0.000 0.272 383 I N 0.651 121.244 120.570 0.039 0.000 2.404 383 I HA 0.024 4.241 4.170 0.078 0.000 0.231 383 I C 0.703 176.807 176.117 -0.021 0.000 1.064 383 I CA 0.788 62.092 61.300 0.008 0.000 1.383 383 I CB 0.133 38.127 38.000 -0.011 0.000 1.171 383 I HN 0.340 nan 8.210 nan 0.000 0.422 384 N N 0.546 119.230 118.700 -0.026 0.000 2.679 384 N HA 0.242 5.029 4.740 0.078 0.000 0.302 384 N C -1.516 173.972 175.510 -0.036 0.000 1.941 384 N CA 0.072 53.095 53.050 -0.046 0.000 0.875 384 N CB 0.781 39.239 38.487 -0.048 0.000 1.278 384 N HN -0.118 nan 8.380 nan 0.000 0.490 385 V N 2.401 122.299 119.914 -0.025 0.000 2.419 385 V HA 0.451 4.618 4.120 0.078 0.000 0.287 385 V C -2.021 174.064 176.094 -0.014 0.000 1.017 385 V CA -1.458 60.832 62.300 -0.017 0.000 0.844 385 V CB 1.703 33.525 31.823 -0.002 0.000 1.011 385 V HN 0.234 nan 8.190 nan 0.000 0.429 386 P HA 0.272 nan 4.420 nan 0.000 0.271 386 P C -0.278 177.016 177.300 -0.010 0.000 1.233 386 P CA 0.181 63.267 63.100 -0.024 0.000 0.795 386 P CB 0.583 32.262 31.700 -0.035 0.000 0.936 387 I N -4.358 116.206 120.570 -0.010 0.000 3.343 387 I HA 0.689 4.906 4.170 0.078 0.000 0.315 387 I C -1.136 174.852 176.117 -0.216 0.000 1.153 387 I CA -0.852 60.373 61.300 -0.125 0.000 0.952 387 I CB 2.353 40.239 38.000 -0.191 0.000 1.287 387 I HN 0.041 nan 8.210 nan 0.000 0.472 388 T N 2.183 116.501 114.554 -0.394 0.000 3.031 388 T HA 0.586 4.983 4.350 0.078 0.000 0.305 388 T C -1.183 173.286 174.700 -0.385 0.000 0.985 388 T CA -0.156 61.789 62.100 -0.259 0.000 1.008 388 T CB 0.723 69.549 68.868 -0.071 0.000 1.005 388 T HN 0.379 nan 8.240 nan 0.000 0.444 389 F N 2.071 122.109 119.950 0.147 0.000 2.477 389 F HA 0.469 5.042 4.527 0.077 0.000 0.335 389 F C 0.588 176.445 175.800 0.096 0.000 1.130 389 F CA -1.033 57.053 58.000 0.144 0.000 0.948 389 F CB 1.869 40.958 39.000 0.148 0.000 1.154 389 F HN 0.344 nan 8.300 nan 0.000 0.439 390 Q N 3.756 123.701 119.800 0.241 0.000 2.421 390 Q HA 0.404 4.791 4.340 0.078 0.000 0.242 390 Q C -1.252 174.691 176.000 -0.095 0.000 1.024 390 Q CA -0.503 55.336 55.803 0.059 0.000 0.891 390 Q CB 1.098 29.884 28.738 0.081 0.000 1.222 390 Q HN 0.579 nan 8.270 nan 0.000 0.483 391 V N 5.168 124.860 119.914 -0.369 0.000 2.427 391 V HA 0.189 4.356 4.120 0.078 0.000 0.268 391 V C -0.127 175.539 176.094 -0.713 0.000 1.046 391 V CA -0.075 61.793 62.300 -0.720 0.000 0.970 391 V CB 0.794 31.968 31.823 -1.082 0.000 1.001 391 V HN 0.639 nan 8.190 nan 0.000 0.476 392 K N 4.453 124.587 120.400 -0.443 0.000 2.449 392 K HA 0.561 4.928 4.320 0.078 0.000 0.257 392 K C -1.110 175.393 176.600 -0.162 0.000 0.989 392 K CA -0.522 55.629 56.287 -0.227 0.000 0.916 392 K CB 1.980 34.402 32.500 -0.130 0.000 1.136 392 K HN 0.457 nan 8.250 nan 0.000 0.439 393 V N 2.954 122.854 119.914 -0.022 0.000 2.394 393 V HA 0.308 4.475 4.120 0.078 0.000 0.282 393 V C 0.005 176.116 176.094 0.028 0.000 1.031 393 V CA -0.376 61.936 62.300 0.019 0.000 0.881 393 V CB 1.508 33.438 31.823 0.178 0.000 0.982 393 V HN 0.729 nan 8.190 nan 0.000 0.451 394 T N 3.604 118.152 114.554 -0.009 0.000 2.908 394 T HA 0.821 5.218 4.350 0.078 0.000 0.290 394 T C -0.128 174.570 174.700 -0.003 0.000 1.034 394 T CA -0.355 61.746 62.100 0.002 0.000 1.010 394 T CB 2.038 70.904 68.868 -0.003 0.000 1.068 394 T HN 0.900 nan 8.240 nan 0.000 0.481 395 A N 0.721 123.542 122.820 0.003 0.000 2.346 395 A HA 0.778 5.145 4.320 0.078 0.000 0.313 395 A C 1.164 178.750 177.584 0.002 0.000 1.140 395 A CA -0.305 51.732 52.037 -0.000 0.000 0.826 395 A CB 0.992 19.991 19.000 -0.000 0.000 1.332 395 A HN 0.902 nan 8.150 nan 0.000 0.457 396 T N -2.202 112.359 114.554 0.011 0.000 3.042 396 T HA 0.258 4.655 4.350 0.078 0.000 0.245 396 T C 0.476 175.169 174.700 -0.011 0.000 1.029 396 T CA 0.886 62.999 62.100 0.022 0.000 1.120 396 T CB -0.342 68.589 68.868 0.106 0.000 0.917 396 T HN 0.858 nan 8.240 nan 0.000 0.467 397 E N -0.628 119.565 120.200 -0.011 0.000 2.431 397 E HA 0.502 4.899 4.350 0.078 0.000 0.268 397 E C -1.251 175.330 176.600 -0.030 0.000 0.953 397 E CA -1.274 55.107 56.400 -0.032 0.000 0.810 397 E CB 0.909 30.596 29.700 -0.022 0.000 1.369 397 E HN -0.006 nan 8.360 nan 0.000 0.440 398 c N 2.969 121.547 118.600 -0.038 0.000 2.551 398 c HA 0.212 4.829 4.570 0.078 0.000 0.378 398 c C 1.069 175.145 174.090 -0.024 0.000 1.101 398 c CA -0.668 55.642 56.329 -0.031 0.000 1.360 398 c CB -2.760 39.728 42.510 -0.036 0.000 1.895 398 c HN 0.477 nan 8.230 nan 0.000 0.540 399 I N 1.180 121.739 120.570 -0.019 0.000 3.332 399 I HA 0.088 4.304 4.170 0.078 0.000 0.280 399 I C 0.283 176.389 176.117 -0.018 0.000 1.285 399 I CA 0.130 61.420 61.300 -0.015 0.000 1.347 399 I CB 0.464 38.459 38.000 -0.009 0.000 1.353 399 I HN 0.344 nan 8.210 nan 0.000 0.611 400 Q N 2.303 122.094 119.800 -0.015 0.000 2.222 400 Q HA 0.202 4.588 4.340 0.078 0.000 0.252 400 Q C -0.537 175.451 176.000 -0.020 0.000 0.926 400 Q CA -0.424 55.368 55.803 -0.018 0.000 0.899 400 Q CB 1.169 29.898 28.738 -0.015 0.000 1.250 400 Q HN 0.645 nan 8.270 nan 0.000 0.441 401 E N 2.508 122.689 120.200 -0.031 0.000 2.585 401 E HA -0.077 4.320 4.350 0.078 0.000 0.252 401 E C -0.740 175.846 176.600 -0.025 0.000 0.981 401 E CA 0.685 57.060 56.400 -0.042 0.000 0.943 401 E CB 0.381 30.047 29.700 -0.058 0.000 0.923 401 E HN 0.589 nan 8.360 nan 0.000 0.486 402 Q N 1.798 121.590 119.800 -0.013 0.000 2.893 402 Q HA 0.486 4.872 4.340 0.078 0.000 0.331 402 Q C -1.493 174.518 176.000 0.018 0.000 0.893 402 Q CA -0.979 54.831 55.803 0.012 0.000 0.783 402 Q CB 2.113 30.875 28.738 0.040 0.000 1.440 402 Q HN 0.610 nan 8.270 nan 0.000 0.508 403 S N -0.139 115.592 115.700 0.052 0.000 2.533 403 S HA 0.796 5.312 4.470 0.078 0.000 0.271 403 S C -1.195 173.477 174.600 0.121 0.000 1.143 403 S CA -0.819 57.393 58.200 0.019 0.000 0.891 403 S CB 0.907 64.076 63.200 -0.053 0.000 1.105 403 S HN 0.617 nan 8.310 nan 0.000 0.468 404 F N 0.524 120.474 119.950 0.001 0.000 2.814 404 F HA 0.945 5.519 4.527 0.078 0.000 0.353 404 F C -0.987 174.838 175.800 0.041 0.000 1.177 404 F CA -1.195 56.824 58.000 0.031 0.000 1.036 404 F CB 0.896 39.928 39.000 0.054 0.000 1.455 404 F HN 0.717 nan 8.300 nan 0.000 0.520 405 V N -0.534 119.540 119.914 0.267 0.000 2.925 405 V HA 0.670 4.837 4.120 0.078 0.000 0.311 405 V C -1.176 175.124 176.094 0.343 0.000 1.104 405 V CA -1.024 61.350 62.300 0.123 0.000 0.954 405 V CB 1.781 33.662 31.823 0.097 0.000 1.022 405 V HN 0.874 nan 8.190 nan 0.000 0.427 406 I N 3.454 124.166 120.570 0.237 0.000 2.405 406 I HA 0.545 4.762 4.170 0.078 0.000 0.280 406 I C 0.259 176.487 176.117 0.185 0.000 1.027 406 I CA -0.360 61.126 61.300 0.310 0.000 1.161 406 I CB 1.155 39.375 38.000 0.366 0.000 1.300 406 I HN 0.660 nan 8.210 nan 0.000 0.463 407 R N 3.664 124.255 120.500 0.152 0.000 2.596 407 R HA 0.779 5.165 4.340 0.078 0.000 0.267 407 R C -0.176 176.168 176.300 0.074 0.000 1.026 407 R CA -0.802 55.359 56.100 0.102 0.000 1.087 407 R CB 1.607 31.958 30.300 0.085 0.000 1.132 407 R HN 0.607 nan 8.270 nan 0.000 0.531 408 A N 2.769 125.648 122.820 0.098 0.000 2.252 408 A HA 0.298 4.665 4.320 0.078 0.000 0.309 408 A C 0.164 177.961 177.584 0.355 0.000 1.285 408 A CA -0.625 51.500 52.037 0.147 0.000 0.900 408 A CB 0.126 19.086 19.000 -0.066 0.000 1.157 408 A HN 0.605 nan 8.150 nan 0.000 0.536 409 L N 2.349 123.699 121.223 0.212 0.000 2.667 409 L HA 0.175 4.562 4.340 0.078 0.000 0.278 409 L C 1.414 178.304 176.870 0.034 0.000 1.217 409 L CA 1.355 56.221 54.840 0.043 0.000 0.935 409 L CB -0.255 41.670 42.059 -0.223 0.000 1.193 409 L HN 1.205 nan 8.230 nan 0.000 0.493 410 G N 3.085 111.782 108.800 -0.172 0.000 2.142 410 G HA2 -0.261 3.746 3.960 0.078 0.000 0.225 410 G HA3 -0.261 3.746 3.960 0.078 0.000 0.225 410 G C -0.404 173.976 174.900 -0.867 0.000 1.015 410 G CA -0.526 44.285 45.100 -0.482 0.000 0.716 410 G HN 0.476 nan 8.290 nan 0.000 0.508 411 F N -0.971 118.975 119.950 -0.006 0.000 2.596 411 F HA 0.505 5.079 4.527 0.079 0.000 0.311 411 F C 1.182 176.973 175.800 -0.014 0.000 1.116 411 F CA -0.282 57.722 58.000 0.007 0.000 0.957 411 F CB 1.697 40.729 39.000 0.054 0.000 1.250 411 F HN 0.104 nan 8.300 nan 0.000 0.444 412 T N -3.361 111.280 114.554 0.144 0.000 3.113 412 T HA 0.028 4.425 4.350 0.078 0.000 0.256 412 T C 0.066 174.810 174.700 0.073 0.000 1.131 412 T CA 0.092 62.229 62.100 0.060 0.000 1.074 412 T CB -0.500 68.376 68.868 0.013 0.000 0.944 412 T HN 0.304 nan 8.240 nan 0.000 0.516 413 D N 2.030 122.500 120.400 0.117 0.000 2.346 413 D HA 0.295 4.982 4.640 0.078 0.000 0.260 413 D C -0.179 176.173 176.300 0.086 0.000 1.252 413 D CA -0.030 54.026 54.000 0.094 0.000 0.895 413 D CB 0.417 41.284 40.800 0.113 0.000 1.097 413 D HN 0.479 nan 8.370 nan 0.000 0.489 414 I N 2.101 122.707 120.570 0.060 0.000 2.331 414 I HA 0.125 4.342 4.170 0.078 0.000 0.292 414 I C -0.037 176.105 176.117 0.042 0.000 0.998 414 I CA -0.846 60.484 61.300 0.050 0.000 1.267 414 I CB 1.405 39.424 38.000 0.032 0.000 1.386 414 I HN -0.037 nan 8.210 nan 0.000 0.476 415 V N 5.519 125.460 119.914 0.044 0.000 2.294 415 V HA 0.123 4.290 4.120 0.078 0.000 0.272 415 V C 0.366 176.434 176.094 -0.043 0.000 1.027 415 V CA -0.483 61.828 62.300 0.020 0.000 0.823 415 V CB 0.842 32.699 31.823 0.057 0.000 1.030 415 V HN 0.726 nan 8.190 nan 0.000 0.457 416 T N 4.878 119.393 114.554 -0.066 0.000 2.961 416 T HA 0.143 4.540 4.350 0.078 0.000 0.270 416 T C 0.269 174.840 174.700 -0.215 0.000 0.926 416 T CA 0.029 62.057 62.100 -0.121 0.000 1.112 416 T CB 0.019 68.839 68.868 -0.081 0.000 0.926 416 T HN 0.343 nan 8.240 nan 0.000 0.612 417 V N 5.158 124.845 119.914 -0.379 0.000 2.372 417 V HA 0.162 4.329 4.120 0.078 0.000 0.261 417 V C 0.676 176.446 176.094 -0.541 0.000 1.055 417 V CA -0.563 61.410 62.300 -0.545 0.000 0.930 417 V CB 0.531 31.842 31.823 -0.853 0.000 1.031 417 V HN 0.762 nan 8.190 nan 0.000 0.479 418 Q N 3.924 123.520 119.800 -0.339 0.000 2.340 418 Q HA 0.482 4.869 4.340 0.078 0.000 0.249 418 Q C -1.141 174.720 176.000 -0.233 0.000 0.957 418 Q CA -0.231 55.425 55.803 -0.246 0.000 0.882 418 Q CB 1.535 30.161 28.738 -0.188 0.000 1.235 418 Q HN 0.566 nan 8.270 nan 0.000 0.439 419 V N 5.525 125.350 119.914 -0.149 0.000 2.525 419 V HA 0.390 4.557 4.120 0.078 0.000 0.299 419 V C -0.723 175.291 176.094 -0.133 0.000 1.034 419 V CA -0.664 61.581 62.300 -0.093 0.000 0.863 419 V CB 1.620 33.480 31.823 0.061 0.000 0.999 419 V HN 0.703 nan 8.190 nan 0.000 0.423 420 L N 6.418 127.515 121.223 -0.211 0.000 2.325 420 L HA 0.511 4.897 4.340 0.078 0.000 0.281 420 L C -2.551 174.230 176.870 -0.148 0.000 1.004 420 L CA -1.904 52.786 54.840 -0.250 0.000 0.823 420 L CB 2.293 44.032 42.059 -0.533 0.000 1.236 420 L HN 0.381 nan 8.230 nan 0.000 0.415 421 P HA -0.027 nan 4.420 nan 0.000 0.263 421 P C -0.761 176.522 177.300 -0.029 0.000 1.345 421 P CA 0.140 63.213 63.100 -0.046 0.000 1.119 421 P CB 0.131 31.808 31.700 -0.038 0.000 1.363 422 Q N 3.027 122.827 119.800 0.001 0.000 2.406 422 Q HA 0.203 4.590 4.340 0.078 0.000 0.242 422 Q C -0.382 175.632 176.000 0.023 0.000 1.036 422 Q CA -0.147 55.683 55.803 0.045 0.000 0.904 422 Q CB 0.184 28.994 28.738 0.120 0.000 1.244 422 Q HN 0.446 nan 8.270 nan 0.000 0.478 423 c N 2.023 120.627 118.600 0.006 0.000 2.947 423 c HA 0.237 4.854 4.570 0.078 0.000 0.453 423 c C 0.200 174.277 174.090 -0.022 0.000 1.467 423 c CA -0.382 55.939 56.329 -0.012 0.000 2.442 423 c CB -0.087 42.407 42.510 -0.027 0.000 2.794 423 c HN 0.658 nan 8.230 nan 0.000 0.543 424 E N 1.680 121.866 120.200 -0.023 0.000 2.565 424 E HA -0.027 4.370 4.350 0.078 0.000 0.268 424 E C -0.154 176.429 176.600 -0.028 0.000 1.000 424 E CA 0.716 57.096 56.400 -0.032 0.000 0.964 424 E CB 0.359 30.045 29.700 -0.024 0.000 0.955 424 E HN 0.787 nan 8.360 nan 0.000 0.459 425 c N 3.290 121.862 118.600 -0.048 0.000 2.816 425 c HA 0.484 5.101 4.570 0.078 0.000 0.255 425 c C 0.364 174.435 174.090 -0.030 0.000 1.141 425 c CA -1.231 55.074 56.329 -0.039 0.000 1.554 425 c CB -0.370 42.102 42.510 -0.064 0.000 1.778 425 c HN 0.515 nan 8.230 nan 0.000 0.429 426 R N 1.305 121.797 120.500 -0.013 0.000 2.697 426 R HA 0.311 4.698 4.340 0.078 0.000 0.265 426 R C 0.339 176.641 176.300 0.005 0.000 1.009 426 R CA 0.342 56.440 56.100 -0.005 0.000 1.099 426 R CB 0.244 30.544 30.300 0.000 0.000 0.965 426 R HN 0.893 nan 8.270 nan 0.000 0.428 427 c N -0.227 118.381 118.600 0.012 0.000 3.343 427 c HA 0.234 4.851 4.570 0.078 0.000 0.357 427 c C 0.394 174.501 174.090 0.029 0.000 1.965 427 c CA -0.181 56.163 56.329 0.026 0.000 1.798 427 c CB 0.358 42.891 42.510 0.038 0.000 2.074 427 c HN 0.834 nan 8.230 nan 0.000 0.575 428 R N 0.655 121.176 120.500 0.035 0.000 2.909 428 R HA 0.512 4.899 4.340 0.078 0.000 0.262 428 R C -1.958 174.368 176.300 0.043 0.000 1.095 428 R CA -0.212 55.910 56.100 0.038 0.000 0.965 428 R CB 1.376 31.703 30.300 0.047 0.000 1.300 428 R HN 0.601 nan 8.270 nan 0.000 0.442 429 D N -1.331 119.096 120.400 0.044 0.000 2.904 429 D HA 0.024 4.711 4.640 0.078 0.000 0.290 429 D C -0.504 175.836 176.300 0.067 0.000 1.180 429 D CA -0.628 53.397 54.000 0.041 0.000 1.065 429 D CB 0.160 40.965 40.800 0.009 0.000 1.386 429 D HN 0.505 nan 8.370 nan 0.000 0.599 430 Q N -0.332 119.499 119.800 0.052 0.000 2.211 430 Q HA 0.251 4.638 4.340 0.078 0.000 0.231 430 Q C 0.281 176.308 176.000 0.045 0.000 0.865 430 Q CA -0.116 55.733 55.803 0.076 0.000 0.997 430 Q CB 0.079 28.868 28.738 0.085 0.000 1.101 430 Q HN 0.368 nan 8.270 nan 0.000 0.468 431 S N 0.019 115.738 115.700 0.032 0.000 2.475 431 S HA 0.072 4.589 4.470 0.078 0.000 0.224 431 S C 0.964 175.580 174.600 0.025 0.000 1.042 431 S CA -0.166 58.047 58.200 0.023 0.000 0.935 431 S CB 0.019 63.228 63.200 0.014 0.000 0.801 431 S HN 0.298 nan 8.310 nan 0.000 0.509 432 R N 2.737 123.255 120.500 0.030 0.000 2.220 432 R HA 0.302 4.689 4.340 0.078 0.000 0.340 432 R C -1.249 175.071 176.300 0.033 0.000 1.076 432 R CA 0.115 56.232 56.100 0.029 0.000 0.920 432 R CB -1.432 28.886 30.300 0.030 0.000 1.062 432 R HN 0.157 nan 8.270 nan 0.000 0.469 433 D N 3.599 124.015 120.400 0.027 0.000 3.293 433 D HA -0.138 4.549 4.640 0.078 0.000 0.252 433 D C -0.179 176.136 176.300 0.026 0.000 1.073 433 D CA 0.536 54.550 54.000 0.023 0.000 0.957 433 D CB -0.448 40.363 40.800 0.019 0.000 0.987 433 D HN 0.758 nan 8.370 nan 0.000 0.422 434 R N -0.001 120.515 120.500 0.026 0.000 2.313 434 R HA 0.027 4.414 4.340 0.078 0.000 0.199 434 R C 2.046 178.356 176.300 0.016 0.000 0.958 434 R CA 0.877 56.992 56.100 0.025 0.000 1.047 434 R CB 0.216 30.531 30.300 0.025 0.000 0.955 434 R HN 0.450 nan 8.270 nan 0.000 0.481 435 S N 0.811 116.521 115.700 0.017 0.000 2.309 435 S HA -0.010 4.507 4.470 0.078 0.000 0.206 435 S C 1.124 175.736 174.600 0.020 0.000 1.028 435 S CA 0.059 58.274 58.200 0.027 0.000 0.972 435 S CB -0.484 62.732 63.200 0.027 0.000 0.961 435 S HN 0.074 nan 8.310 nan 0.000 0.449 436 L N 1.172 122.389 121.223 -0.009 0.000 2.503 436 L HA 0.045 4.432 4.340 0.078 0.000 0.287 436 L C 0.835 177.636 176.870 -0.116 0.000 1.252 436 L CA -0.028 54.768 54.840 -0.073 0.000 0.835 436 L CB -0.384 41.638 42.059 -0.063 0.000 1.099 436 L HN 0.793 nan 8.230 nan 0.000 0.516 437 c N 0.186 118.646 118.600 -0.233 0.000 4.392 437 c HA -0.177 4.439 4.570 0.078 0.000 0.280 437 c C 1.008 174.999 174.090 -0.164 0.000 1.381 437 c CA 0.347 56.544 56.329 -0.221 0.000 1.871 437 c CB -3.352 39.071 42.510 -0.145 0.000 1.323 437 c HN 1.093 nan 8.230 nan 0.000 0.772 438 H N -1.211 117.818 119.070 -0.069 0.000 2.529 438 H HA -0.132 4.471 4.556 0.078 0.000 0.319 438 H C 1.515 176.770 175.328 -0.123 0.000 1.072 438 H CA 1.037 57.036 56.048 -0.081 0.000 1.126 438 H CB -1.091 28.626 29.762 -0.076 0.000 1.474 438 H HN 1.509 nan 8.280 nan 0.000 0.406 439 G N -0.236 108.561 108.800 -0.005 0.000 2.328 439 G HA2 -0.387 3.620 3.960 0.078 0.000 0.256 439 G HA3 -0.387 3.620 3.960 0.078 0.000 0.256 439 G C 0.723 175.565 174.900 -0.097 0.000 1.014 439 G CA 0.635 45.713 45.100 -0.036 0.000 0.620 439 G HN 0.354 nan 8.290 nan 0.000 0.530 440 K N 1.597 121.866 120.400 -0.219 0.000 3.000 440 K HA 0.578 4.945 4.320 0.078 0.000 0.239 440 K C 0.630 177.112 176.600 -0.196 0.000 1.269 440 K CA 0.580 56.651 56.287 -0.361 0.000 1.220 440 K CB 0.251 32.067 32.500 -1.140 0.000 1.645 440 K HN 1.269 nan 8.250 nan 0.000 0.423 441 G N 0.748 109.515 108.800 -0.055 0.000 2.340 441 G HA2 0.297 4.304 3.960 0.078 0.000 0.298 441 G HA3 0.297 4.304 3.960 0.078 0.000 0.298 441 G C -1.231 173.701 174.900 0.052 0.000 1.498 441 G CA -1.071 44.023 45.100 -0.011 0.000 0.847 441 G HN 0.126 nan 8.290 nan 0.000 0.594 442 F N -0.818 119.125 119.950 -0.013 0.000 2.525 442 F HA 0.927 5.501 4.527 0.078 0.000 0.346 442 F C -0.303 175.495 175.800 -0.005 0.000 1.072 442 F CA -1.579 56.416 58.000 -0.010 0.000 1.033 442 F CB 1.676 40.672 39.000 -0.005 0.000 1.324 442 F HN 0.528 nan 8.300 nan 0.000 0.491 443 L N 1.200 122.509 121.223 0.144 0.000 2.362 443 L HA 0.624 5.011 4.340 0.078 0.000 0.271 443 L C -1.510 175.445 176.870 0.141 0.000 1.002 443 L CA -0.576 54.289 54.840 0.042 0.000 0.818 443 L CB 1.932 44.014 42.059 0.038 0.000 1.298 443 L HN 0.857 nan 8.230 nan 0.000 0.420 444 E N 3.799 124.049 120.200 0.083 0.000 2.432 444 E HA 0.282 4.679 4.350 0.078 0.000 0.272 444 E C -0.808 175.846 176.600 0.090 0.000 0.937 444 E CA -0.401 56.059 56.400 0.100 0.000 0.812 444 E CB 0.933 30.703 29.700 0.117 0.000 1.377 444 E HN 0.736 nan 8.360 nan 0.000 0.399 445 c N 4.250 122.914 118.600 0.108 0.000 3.896 445 c HA 0.068 4.684 4.570 0.078 0.000 0.300 445 c C 1.482 175.721 174.090 0.248 0.000 1.322 445 c CA 1.358 57.795 56.329 0.180 0.000 2.130 445 c CB -2.212 40.430 42.510 0.220 0.000 1.363 445 c HN 1.285 nan 8.230 nan 0.000 0.642 446 G N 0.452 109.339 108.800 0.145 0.000 4.794 446 G HA2 -0.242 3.765 3.960 0.078 0.000 0.275 446 G HA3 -0.242 3.765 3.960 0.078 0.000 0.275 446 G C 0.221 175.178 174.900 0.095 0.000 1.648 446 G CA 0.358 45.526 45.100 0.114 0.000 1.154 446 G HN 1.927 nan 8.290 nan 0.000 0.680 447 I N 0.529 121.188 120.570 0.149 0.000 3.205 447 I HA 0.400 4.617 4.170 0.078 0.000 0.287 447 I C 0.353 176.468 176.117 -0.004 0.000 1.266 447 I CA -0.117 61.238 61.300 0.092 0.000 1.378 447 I CB 0.120 38.229 38.000 0.181 0.000 1.347 447 I HN 0.478 nan 8.210 nan 0.000 0.603 448 c N 3.818 122.370 118.600 -0.079 0.000 2.369 448 c HA 0.519 5.136 4.570 0.078 0.000 0.322 448 c C 0.145 174.050 174.090 -0.309 0.000 1.258 448 c CA -0.711 55.492 56.329 -0.209 0.000 1.487 448 c CB 0.726 43.130 42.510 -0.178 0.000 2.165 448 c HN 0.730 nan 8.230 nan 0.000 0.483 449 R N 1.910 122.030 120.500 -0.633 0.000 2.205 449 R HA 0.437 4.823 4.340 0.078 0.000 0.342 449 R C -0.257 175.682 176.300 -0.602 0.000 1.058 449 R CA -0.263 55.463 56.100 -0.623 0.000 0.904 449 R CB 0.354 30.232 30.300 -0.703 0.000 1.089 449 R HN 0.751 nan 8.270 nan 0.000 0.471 450 c N 1.693 120.161 118.600 -0.219 0.000 2.560 450 c HA 0.161 4.778 4.570 0.078 0.000 0.334 450 c C 0.999 175.137 174.090 0.080 0.000 1.404 450 c CA -0.735 55.562 56.329 -0.053 0.000 2.410 450 c CB 0.192 42.729 42.510 0.044 0.000 2.268 450 c HN 0.687 nan 8.230 nan 0.000 0.673 451 D N 0.362 120.875 120.400 0.189 0.000 2.398 451 D HA 0.174 4.860 4.640 0.078 0.000 0.264 451 D C 1.484 177.880 176.300 0.160 0.000 1.263 451 D CA 0.238 54.370 54.000 0.221 0.000 1.037 451 D CB -0.215 40.767 40.800 0.303 0.000 1.101 451 D HN 0.738 nan 8.370 nan 0.000 0.551 452 T N -2.923 111.705 114.554 0.124 0.000 2.759 452 T HA -0.063 4.333 4.350 0.078 0.000 0.269 452 T C 1.626 176.341 174.700 0.026 0.000 1.042 452 T CA 1.180 63.321 62.100 0.067 0.000 1.140 452 T CB -0.468 68.428 68.868 0.047 0.000 0.864 452 T HN 0.460 nan 8.240 nan 0.000 0.455 453 G N -0.956 107.839 108.800 -0.009 0.000 3.159 453 G HA2 0.382 4.389 3.960 0.078 0.000 0.232 453 G HA3 0.382 4.389 3.960 0.078 0.000 0.232 453 G C -0.318 174.387 174.900 -0.325 0.000 1.116 453 G CA -0.526 44.468 45.100 -0.176 0.000 0.767 453 G HN 0.508 nan 8.290 nan 0.000 0.547 454 Y N 0.225 120.540 120.300 0.026 0.000 2.409 454 Y HA 0.667 5.264 4.550 0.078 0.000 0.339 454 Y C -0.028 175.877 175.900 0.007 0.000 1.033 454 Y CA -1.110 57.002 58.100 0.021 0.000 1.094 454 Y CB 1.919 40.394 38.460 0.025 0.000 1.210 454 Y HN -0.170 nan 8.280 nan 0.000 0.456 455 I N 1.305 121.966 120.570 0.151 0.000 3.095 455 I HA 0.778 4.995 4.170 0.078 0.000 0.310 455 I C 0.111 176.265 176.117 0.062 0.000 1.196 455 I CA -0.780 60.565 61.300 0.075 0.000 0.985 455 I CB 1.803 39.827 38.000 0.040 0.000 1.250 455 I HN 0.713 nan 8.210 nan 0.000 0.446 456 G N 3.273 112.088 108.800 0.025 0.000 2.406 456 G HA2 -0.059 3.948 3.960 0.078 0.000 0.680 456 G HA3 -0.059 3.948 3.960 0.078 0.000 0.680 456 G C -0.023 174.866 174.900 -0.017 0.000 1.338 456 G CA -0.175 44.931 45.100 0.010 0.000 0.941 456 G HN 0.890 nan 8.290 nan 0.000 0.633 457 K N -0.977 119.408 120.400 -0.024 0.000 2.555 457 K HA 0.119 4.485 4.320 0.078 0.000 0.193 457 K C 0.590 177.150 176.600 -0.067 0.000 1.032 457 K CA 1.098 57.365 56.287 -0.034 0.000 1.004 457 K CB 0.195 32.682 32.500 -0.021 0.000 0.804 457 K HN 0.242 nan 8.250 nan 0.000 0.496 458 N N 0.513 119.156 118.700 -0.095 0.000 2.475 458 N HA 0.093 4.880 4.740 0.078 0.000 0.272 458 N C -0.787 174.591 175.510 -0.220 0.000 1.482 458 N CA -0.149 52.788 53.050 -0.188 0.000 0.863 458 N CB 0.618 38.952 38.487 -0.255 0.000 1.400 458 N HN 0.169 nan 8.380 nan 0.000 0.489 459 c N 2.184 120.723 118.600 -0.100 0.000 3.995 459 c HA -0.153 4.464 4.570 0.078 0.000 0.295 459 c C 2.080 176.201 174.090 0.051 0.000 1.484 459 c CA 1.207 57.521 56.329 -0.025 0.000 2.047 459 c CB -1.742 40.715 42.510 -0.088 0.000 1.292 459 c HN 0.580 nan 8.230 nan 0.000 0.735 460 E N -0.830 119.411 120.200 0.069 0.000 2.170 460 E HA -0.032 4.365 4.350 0.078 0.000 0.191 460 E C 0.883 177.613 176.600 0.217 0.000 0.981 460 E CA 0.860 57.424 56.400 0.272 0.000 0.830 460 E CB -0.210 29.632 29.700 0.238 0.000 0.775 460 E HN 0.719 nan 8.360 nan 0.000 0.470 461 c N 1.222 119.913 118.600 0.152 0.000 2.362 461 c HA 0.513 5.129 4.570 0.078 0.000 0.363 461 c C 0.220 174.404 174.090 0.156 0.000 1.220 461 c CA -0.518 55.886 56.329 0.126 0.000 2.379 461 c CB 0.990 43.545 42.510 0.074 0.000 2.351 461 c HN 0.483 nan 8.230 nan 0.000 0.582 462 Q N -0.235 119.616 119.800 0.084 0.000 2.399 462 Q HA 0.352 4.739 4.340 0.078 0.000 0.276 462 Q C 0.399 176.385 176.000 -0.023 0.000 1.098 462 Q CA -0.243 55.559 55.803 -0.002 0.000 0.827 462 Q CB 1.563 30.262 28.738 -0.066 0.000 1.386 462 Q HN 0.845 nan 8.270 nan 0.000 0.443 463 T N -0.150 114.367 114.554 -0.062 0.000 3.496 463 T HA 0.126 4.523 4.350 0.078 0.000 0.253 463 T C -0.160 174.520 174.700 -0.032 0.000 1.134 463 T CA 0.228 62.306 62.100 -0.035 0.000 0.993 463 T CB -0.190 68.655 68.868 -0.039 0.000 1.018 463 T HN 0.449 nan 8.240 nan 0.000 0.571 464 Q N 0.719 120.500 119.800 -0.033 0.000 2.274 464 Q HA 0.546 4.933 4.340 0.078 0.000 0.268 464 Q C -0.013 175.982 176.000 -0.007 0.000 1.015 464 Q CA -0.863 54.928 55.803 -0.021 0.000 0.775 464 Q CB 2.085 30.804 28.738 -0.031 0.000 1.256 464 Q HN 0.484 nan 8.270 nan 0.000 0.442 465 G N 3.146 111.947 108.800 0.001 0.000 2.920 465 G HA2 -0.250 3.757 3.960 0.078 0.000 0.210 465 G HA3 -0.250 3.757 3.960 0.078 0.000 0.210 465 G C -0.700 174.206 174.900 0.011 0.000 0.806 465 G CA -0.277 44.827 45.100 0.006 0.000 0.853 465 G HN 0.478 nan 8.290 nan 0.000 0.333 466 R N 0.203 120.711 120.500 0.015 0.000 2.739 466 R HA 0.751 5.138 4.340 0.078 0.000 0.266 466 R C -0.846 175.464 176.300 0.018 0.000 1.044 466 R CA -0.563 55.547 56.100 0.018 0.000 0.885 466 R CB 1.948 32.261 30.300 0.021 0.000 1.260 466 R HN 0.980 nan 8.270 nan 0.000 0.477 467 S N -0.072 115.638 115.700 0.017 0.000 2.769 467 S HA 0.276 4.792 4.470 0.078 0.000 0.283 467 S C -1.531 173.078 174.600 0.015 0.000 0.936 467 S CA -0.663 57.547 58.200 0.017 0.000 0.893 467 S CB 1.603 64.813 63.200 0.017 0.000 1.125 467 S HN 0.567 nan 8.310 nan 0.000 0.464 468 S N 0.828 116.537 115.700 0.014 0.000 2.745 468 S HA 0.509 5.026 4.470 0.078 0.000 0.306 468 S C 0.787 175.394 174.600 0.012 0.000 1.137 468 S CA -0.767 57.441 58.200 0.013 0.000 0.900 468 S CB 1.764 64.972 63.200 0.013 0.000 1.176 468 S HN 0.797 nan 8.310 nan 0.000 0.520 469 Q N 0.803 120.609 119.800 0.011 0.000 1.937 469 Q HA 0.105 4.492 4.340 0.078 0.000 0.198 469 Q C 0.743 176.750 176.000 0.011 0.000 0.977 469 Q CA 1.328 57.137 55.803 0.010 0.000 0.836 469 Q CB -0.146 28.596 28.738 0.008 0.000 0.899 469 Q HN 0.692 nan 8.270 nan 0.000 0.437 470 E N 0.249 120.455 120.200 0.010 0.000 2.444 470 E HA 0.079 4.476 4.350 0.078 0.000 0.191 470 E C 1.571 178.177 176.600 0.011 0.000 1.041 470 E CA -0.234 56.172 56.400 0.010 0.000 0.883 470 E CB 0.349 30.053 29.700 0.007 0.000 1.024 470 E HN 0.455 nan 8.360 nan 0.000 0.470 471 L N 0.465 121.695 121.223 0.011 0.000 2.275 471 L HA -0.106 4.281 4.340 0.078 0.000 0.215 471 L C 1.314 178.193 176.870 0.015 0.000 1.119 471 L CA 1.017 55.863 54.840 0.011 0.000 0.790 471 L CB -0.170 41.895 42.059 0.010 0.000 0.919 471 L HN 0.094 nan 8.230 nan 0.000 0.443 472 E N 0.122 120.333 120.200 0.019 0.000 2.382 472 E HA -0.018 4.379 4.350 0.078 0.000 0.190 472 E C 1.722 178.345 176.600 0.039 0.000 1.125 472 E CA 0.195 56.612 56.400 0.028 0.000 0.929 472 E CB 0.078 29.793 29.700 0.025 0.000 1.053 472 E HN 0.459 nan 8.360 nan 0.000 0.475 473 G N 0.968 109.789 108.800 0.035 0.000 2.551 473 G HA2 -0.217 3.790 3.960 0.078 0.000 0.214 473 G HA3 -0.217 3.790 3.960 0.078 0.000 0.214 473 G C 1.409 176.354 174.900 0.074 0.000 1.250 473 G CA 0.198 45.322 45.100 0.040 0.000 0.825 473 G HN 0.284 nan 8.290 nan 0.000 0.549 474 S N -0.899 114.844 115.700 0.072 0.000 2.720 474 S HA -0.018 4.499 4.470 0.078 0.000 0.222 474 S C 1.747 176.439 174.600 0.153 0.000 0.958 474 S CA 0.450 58.725 58.200 0.125 0.000 0.943 474 S CB -0.727 62.502 63.200 0.047 0.000 0.779 474 S HN 0.397 nan 8.310 nan 0.000 0.526 475 c N 2.181 120.855 118.600 0.124 0.000 2.618 475 c HA 0.349 4.966 4.570 0.078 0.000 0.264 475 c C 0.910 175.163 174.090 0.271 0.000 1.334 475 c CA -0.382 56.014 56.329 0.111 0.000 1.731 475 c CB -1.341 41.200 42.510 0.051 0.000 1.852 475 c HN 0.679 nan 8.230 nan 0.000 0.566 476 R N -0.089 120.586 120.500 0.291 0.000 2.575 476 R HA 0.392 4.779 4.340 0.078 0.000 0.293 476 R C 0.818 177.063 176.300 -0.091 0.000 0.983 476 R CA -0.566 55.630 56.100 0.160 0.000 0.887 476 R CB 0.711 31.035 30.300 0.041 0.000 1.184 476 R HN 0.257 nan 8.270 nan 0.000 0.445 477 K N 0.913 120.881 120.400 -0.719 0.000 2.074 477 K HA -0.181 4.186 4.320 0.078 0.000 0.209 477 K C -0.330 176.059 176.600 -0.351 0.000 1.048 477 K CA 1.792 57.476 56.287 -1.005 0.000 0.926 477 K CB -0.315 31.593 32.500 -0.986 0.000 0.713 477 K HN 0.792 nan 8.250 nan 0.000 0.444 478 D N -1.908 118.359 120.400 -0.221 0.000 2.610 478 D HA 0.061 4.748 4.640 0.078 0.000 0.271 478 D C -0.001 176.256 176.300 -0.071 0.000 1.174 478 D CA -0.925 53.006 54.000 -0.116 0.000 0.949 478 D CB 0.454 41.191 40.800 -0.105 0.000 1.430 478 D HN -0.094 nan 8.370 nan 0.000 0.467 479 N N -0.619 118.054 118.700 -0.046 0.000 2.205 479 N HA -0.125 4.662 4.740 0.078 0.000 0.186 479 N C -0.051 175.441 175.510 -0.029 0.000 1.015 479 N CA 1.061 54.093 53.050 -0.029 0.000 0.862 479 N CB -0.258 38.217 38.487 -0.022 0.000 0.986 479 N HN 0.344 nan 8.380 nan 0.000 0.429 480 N N -0.668 118.010 118.700 -0.037 0.000 2.376 480 N HA 0.080 4.867 4.740 0.078 0.000 0.249 480 N C -1.095 174.391 175.510 -0.040 0.000 1.140 480 N CA -0.035 52.996 53.050 -0.032 0.000 0.870 480 N CB 0.521 38.991 38.487 -0.029 0.000 1.124 480 N HN 0.045 nan 8.380 nan 0.000 0.505 481 S N 0.001 115.672 115.700 -0.049 0.000 2.532 481 S HA 0.512 5.028 4.470 0.078 0.000 0.301 481 S C -0.213 174.368 174.600 -0.032 0.000 1.083 481 S CA -0.842 57.325 58.200 -0.056 0.000 1.025 481 S CB 1.058 64.197 63.200 -0.103 0.000 1.056 481 S HN 0.246 nan 8.310 nan 0.000 0.494 482 I N 4.600 125.157 120.570 -0.022 0.000 2.575 482 I HA 0.330 4.547 4.170 0.078 0.000 0.285 482 I C -0.088 176.034 176.117 0.008 0.000 1.085 482 I CA -0.747 60.550 61.300 -0.004 0.000 1.403 482 I CB 0.464 38.464 38.000 -0.001 0.000 1.409 482 I HN 0.674 nan 8.210 nan 0.000 0.557 483 I N 7.309 127.891 120.570 0.019 0.000 2.821 483 I HA -0.160 4.057 4.170 0.078 0.000 0.294 483 I C 1.098 177.237 176.117 0.036 0.000 1.210 483 I CA 0.168 61.489 61.300 0.035 0.000 1.430 483 I CB -0.143 37.875 38.000 0.030 0.000 1.356 483 I HN 0.868 nan 8.210 nan 0.000 0.563 484 c N 4.606 123.247 118.600 0.068 0.000 4.297 484 c HA -0.232 4.384 4.570 0.078 0.000 0.290 484 c C 1.435 175.540 174.090 0.026 0.000 1.444 484 c CA 0.701 57.059 56.329 0.048 0.000 1.982 484 c CB -3.155 39.337 42.510 -0.030 0.000 1.276 484 c HN 1.088 nan 8.230 nan 0.000 0.797 485 S N -1.732 113.988 115.700 0.034 0.000 3.477 485 S HA -0.051 4.466 4.470 0.078 0.000 0.357 485 S C 1.103 175.701 174.600 -0.003 0.000 1.083 485 S CA 1.353 59.557 58.200 0.006 0.000 1.042 485 S CB -1.589 61.614 63.200 0.005 0.000 0.911 485 S HN 2.609 nan 8.310 nan 0.000 0.490 486 G N 0.385 109.187 108.800 0.004 0.000 2.907 486 G HA2 -0.143 3.863 3.960 0.078 0.000 0.242 486 G HA3 -0.143 3.863 3.960 0.078 0.000 0.242 486 G C 0.139 175.037 174.900 -0.003 0.000 1.448 486 G CA -0.287 44.827 45.100 0.022 0.000 0.911 486 G HN 1.527 nan 8.290 nan 0.000 0.553 487 L N -2.170 119.103 121.223 0.084 0.000 3.843 487 L HA -0.091 4.296 4.340 0.078 0.000 0.411 487 L C 0.999 177.624 176.870 -0.408 0.000 1.205 487 L CA 1.104 56.013 54.840 0.115 0.000 0.945 487 L CB -1.894 40.194 42.059 0.047 0.000 1.929 487 L HN 2.244 nan 8.230 nan 0.000 0.934 488 G N 0.183 108.529 108.800 -0.757 0.000 2.524 488 G HA2 0.496 4.503 3.960 0.078 0.000 0.306 488 G HA3 0.496 4.503 3.960 0.078 0.000 0.306 488 G C -1.299 173.365 174.900 -0.394 0.000 1.420 488 G CA -0.373 44.247 45.100 -0.801 0.000 1.086 488 G HN 0.181 nan 8.290 nan 0.000 0.591 489 D N 0.305 120.553 120.400 -0.255 0.000 2.274 489 D HA 0.431 5.118 4.640 0.078 0.000 0.239 489 D C 0.428 176.718 176.300 -0.017 0.000 1.104 489 D CA -0.677 53.328 54.000 0.009 0.000 0.840 489 D CB 1.502 42.398 40.800 0.161 0.000 1.100 489 D HN 0.411 nan 8.370 nan 0.000 0.477 490 c N 3.116 121.712 118.600 -0.006 0.000 2.585 490 c HA 0.548 5.165 4.570 0.078 0.000 0.406 490 c C -0.281 173.811 174.090 0.003 0.000 1.312 490 c CA -0.112 56.212 56.329 -0.008 0.000 1.924 490 c CB -0.821 41.691 42.510 0.002 0.000 2.578 490 c HN 0.502 nan 8.230 nan 0.000 0.580 491 V N 6.327 126.240 119.914 -0.003 0.000 2.569 491 V HA 0.362 4.529 4.120 0.078 0.000 0.301 491 V C 0.259 176.356 176.094 0.004 0.000 1.044 491 V CA -0.597 61.706 62.300 0.006 0.000 0.874 491 V CB 1.195 33.025 31.823 0.011 0.000 1.002 491 V HN 1.159 nan 8.190 nan 0.000 0.424 492 c N 5.055 123.661 118.600 0.009 0.000 4.209 492 c HA -0.068 4.549 4.570 0.078 0.000 0.305 492 c C 1.801 175.889 174.090 -0.002 0.000 1.339 492 c CA 1.550 57.884 56.329 0.009 0.000 2.062 492 c CB -1.891 40.628 42.510 0.015 0.000 1.307 492 c HN 2.027 nan 8.230 nan 0.000 0.706 493 G N -0.381 108.417 108.800 -0.004 0.000 2.812 493 G HA2 -0.290 3.717 3.960 0.078 0.000 0.219 493 G HA3 -0.290 3.717 3.960 0.078 0.000 0.219 493 G C 0.056 174.939 174.900 -0.029 0.000 1.275 493 G CA 1.064 46.158 45.100 -0.011 0.000 0.769 493 G HN 1.125 nan 8.290 nan 0.000 0.527 494 Q N 0.202 119.977 119.800 -0.043 0.000 2.162 494 Q HA 0.703 5.090 4.340 0.078 0.000 0.197 494 Q C -0.183 175.775 176.000 -0.070 0.000 1.013 494 Q CA -0.421 55.334 55.803 -0.079 0.000 1.040 494 Q CB 1.162 29.854 28.738 -0.076 0.000 1.114 494 Q HN 0.440 nan 8.270 nan 0.000 0.547 495 c N 0.528 119.070 118.600 -0.097 0.000 2.529 495 c HA 0.610 5.227 4.570 0.078 0.000 0.329 495 c C -0.760 173.283 174.090 -0.077 0.000 1.194 495 c CA -0.743 55.535 56.329 -0.085 0.000 1.779 495 c CB 1.007 43.456 42.510 -0.102 0.000 2.322 495 c HN 0.743 nan 8.230 nan 0.000 0.500 496 L N 3.067 124.244 121.223 -0.077 0.000 2.356 496 L HA 0.471 4.858 4.340 0.078 0.000 0.264 496 L C -0.135 176.665 176.870 -0.116 0.000 1.029 496 L CA -0.032 54.771 54.840 -0.062 0.000 0.897 496 L CB -0.172 41.876 42.059 -0.018 0.000 1.256 496 L HN 0.870 nan 8.230 nan 0.000 0.444 497 c N 3.206 121.737 118.600 -0.116 0.000 2.563 497 c HA 0.066 4.683 4.570 0.078 0.000 0.411 497 c C 1.062 175.099 174.090 -0.088 0.000 1.386 497 c CA -0.147 56.087 56.329 -0.158 0.000 1.703 497 c CB -1.306 41.158 42.510 -0.076 0.000 2.596 497 c HN 0.738 nan 8.230 nan 0.000 0.605 498 H N 0.711 119.782 119.070 0.001 0.000 2.730 498 H HA 0.374 4.977 4.556 0.078 0.000 0.376 498 H C 0.863 176.195 175.328 0.006 0.000 1.299 498 H CA 0.405 56.455 56.048 0.002 0.000 1.447 498 H CB 0.472 30.234 29.762 0.000 0.000 1.493 498 H HN 0.769 nan 8.280 nan 0.000 0.619 499 T N -1.432 113.212 114.554 0.150 0.000 2.888 499 T HA 0.437 4.834 4.350 0.078 0.000 0.284 499 T C -0.193 174.543 174.700 0.060 0.000 1.017 499 T CA -1.078 61.071 62.100 0.081 0.000 1.022 499 T CB 1.721 70.624 68.868 0.058 0.000 1.013 499 T HN 0.436 nan 8.240 nan 0.000 0.465 500 S N 1.472 117.200 115.700 0.047 0.000 2.605 500 S HA 0.382 4.899 4.470 0.078 0.000 0.308 500 S C -0.541 174.074 174.600 0.025 0.000 1.113 500 S CA -0.823 57.396 58.200 0.032 0.000 1.049 500 S CB 0.538 63.757 63.200 0.031 0.000 1.001 500 S HN 0.828 nan 8.310 nan 0.000 0.480 501 D N 3.645 124.055 120.400 0.018 0.000 3.032 501 D HA 0.200 4.887 4.640 0.078 0.000 0.241 501 D C -0.229 176.079 176.300 0.012 0.000 1.196 501 D CA -0.210 53.799 54.000 0.015 0.000 0.927 501 D CB -0.211 40.596 40.800 0.011 0.000 1.129 501 D HN 0.151 nan 8.370 nan 0.000 0.458 502 V N 0.773 120.695 119.914 0.014 0.000 2.487 502 V HA 0.335 4.501 4.120 0.078 0.000 0.298 502 V C -2.209 173.892 176.094 0.012 0.000 1.028 502 V CA -2.107 60.200 62.300 0.011 0.000 0.860 502 V CB 1.992 33.821 31.823 0.010 0.000 0.991 502 V HN 0.067 nan 8.190 nan 0.000 0.427 503 P HA 0.122 nan 4.420 nan 0.000 0.257 503 P C 1.069 178.373 177.300 0.006 0.000 1.162 503 P CA 1.917 65.021 63.100 0.008 0.000 0.762 503 P CB 0.220 31.923 31.700 0.006 0.000 0.753 504 G N 2.595 111.398 108.800 0.007 0.000 2.812 504 G HA2 -0.303 3.703 3.960 0.078 0.000 0.219 504 G HA3 -0.303 3.703 3.960 0.078 0.000 0.219 504 G C 0.386 175.291 174.900 0.007 0.000 1.275 504 G CA 0.270 45.369 45.100 -0.001 0.000 0.769 504 G HN 0.722 nan 8.290 nan 0.000 0.527 505 K N 0.756 121.163 120.400 0.012 0.000 2.543 505 K HA 0.376 4.742 4.320 0.078 0.000 0.279 505 K C -0.519 176.104 176.600 0.039 0.000 1.001 505 K CA 0.795 57.095 56.287 0.021 0.000 1.088 505 K CB 0.195 32.707 32.500 0.019 0.000 0.863 505 K HN 1.329 nan 8.250 nan 0.000 0.488 506 L N 6.191 127.448 121.223 0.057 0.000 2.751 506 L HA 0.396 4.783 4.340 0.078 0.000 0.261 506 L C -1.681 175.266 176.870 0.128 0.000 0.927 506 L CA -0.463 54.433 54.840 0.092 0.000 0.968 506 L CB 1.068 43.191 42.059 0.108 0.000 1.432 506 L HN 0.533 nan 8.230 nan 0.000 0.439 507 I N 5.146 125.764 120.570 0.079 0.000 2.577 507 I HA 0.569 4.786 4.170 0.078 0.000 0.300 507 I C -0.332 175.834 176.117 0.081 0.000 0.990 507 I CA -0.273 61.027 61.300 0.000 0.000 1.283 507 I CB 1.282 39.261 38.000 -0.036 0.000 1.411 507 I HN 0.832 nan 8.210 nan 0.000 0.515 508 Y N 1.189 121.440 120.300 -0.082 0.000 2.702 508 Y HA 0.707 5.303 4.550 0.078 0.000 0.336 508 Y C -0.471 175.382 175.900 -0.077 0.000 1.203 508 Y CA -0.994 57.035 58.100 -0.119 0.000 1.072 508 Y CB 0.992 39.315 38.460 -0.228 0.000 1.327 508 Y HN 0.965 nan 8.280 nan 0.000 0.456 509 G N 0.901 109.761 108.800 0.099 0.000 2.406 509 G HA2 -0.010 3.996 3.960 0.078 0.000 0.680 509 G HA3 -0.010 3.996 3.960 0.078 0.000 0.680 509 G C -0.415 174.453 174.900 -0.054 0.000 1.338 509 G CA -0.278 44.846 45.100 0.041 0.000 0.941 509 G HN 0.900 nan 8.290 nan 0.000 0.633 510 Q N -0.643 119.077 119.800 -0.134 0.000 2.061 510 Q HA -0.125 4.262 4.340 0.078 0.000 0.204 510 Q C 1.304 176.997 176.000 -0.513 0.000 0.984 510 Q CA 2.323 57.876 55.803 -0.416 0.000 0.846 510 Q CB -0.040 28.254 28.738 -0.741 0.000 0.902 510 Q HN 0.694 nan 8.270 nan 0.000 0.421 511 Y N -2.054 118.225 120.300 -0.035 0.000 2.658 511 Y HA 0.271 4.867 4.550 0.078 0.000 0.276 511 Y C 0.161 176.014 175.900 -0.079 0.000 1.167 511 Y CA -0.927 57.142 58.100 -0.050 0.000 1.230 511 Y CB 0.021 38.457 38.460 -0.040 0.000 1.144 511 Y HN 0.034 nan 8.280 nan 0.000 0.529 512 c N 2.923 121.520 118.600 -0.005 0.000 4.056 512 c HA -0.205 4.412 4.570 0.078 0.000 0.302 512 c C 1.847 175.890 174.090 -0.079 0.000 1.356 512 c CA 1.066 57.350 56.329 -0.075 0.000 2.074 512 c CB -1.648 40.801 42.510 -0.103 0.000 1.328 512 c HN 0.748 nan 8.230 nan 0.000 0.684 513 E N -1.646 118.507 120.200 -0.078 0.000 2.251 513 E HA 0.051 4.448 4.350 0.078 0.000 0.194 513 E C 0.670 177.164 176.600 -0.177 0.000 0.964 513 E CA 0.455 56.807 56.400 -0.081 0.000 0.868 513 E CB -0.006 29.685 29.700 -0.015 0.000 0.828 513 E HN 0.693 nan 8.360 nan 0.000 0.481 514 c N 2.844 121.227 118.600 -0.362 0.000 2.370 514 c HA 0.518 5.135 4.570 0.078 0.000 0.354 514 c C -0.217 173.444 174.090 -0.714 0.000 1.218 514 c CA -0.523 55.484 56.329 -0.538 0.000 2.154 514 c CB 0.680 42.767 42.510 -0.705 0.000 2.391 514 c HN 0.544 nan 8.230 nan 0.000 0.540 515 D N -0.565 119.626 120.400 -0.347 0.000 2.559 515 D HA 0.441 5.127 4.640 0.078 0.000 0.250 515 D C -0.348 175.995 176.300 0.072 0.000 1.135 515 D CA -0.467 53.457 54.000 -0.127 0.000 0.955 515 D CB 0.742 41.501 40.800 -0.069 0.000 1.442 515 D HN 0.467 nan 8.370 nan 0.000 0.471 516 T N -2.261 112.352 114.554 0.099 0.000 3.256 516 T HA 0.461 4.858 4.350 0.078 0.000 0.249 516 T C 0.732 175.404 174.700 -0.046 0.000 0.975 516 T CA -0.373 61.720 62.100 -0.010 0.000 1.011 516 T CB -1.092 67.726 68.868 -0.083 0.000 1.127 516 T HN 0.537 nan 8.240 nan 0.000 0.543 517 I N -3.874 116.685 120.570 -0.018 0.000 5.183 517 I HA 0.512 4.729 4.170 0.078 0.000 0.343 517 I C -0.033 176.082 176.117 -0.004 0.000 1.230 517 I CA -0.228 61.064 61.300 -0.014 0.000 1.473 517 I CB 0.093 38.090 38.000 -0.005 0.000 1.569 517 I HN 0.079 nan 8.210 nan 0.000 0.544 518 N N 1.780 120.479 118.700 -0.001 0.000 3.229 518 N HA 0.448 5.234 4.740 0.078 0.000 0.275 518 N C -0.893 174.627 175.510 0.016 0.000 1.225 518 N CA -0.097 52.956 53.050 0.006 0.000 1.119 518 N CB 0.119 38.606 38.487 -0.000 0.000 1.392 518 N HN 0.468 nan 8.380 nan 0.000 0.520 519 c N -0.430 118.183 118.600 0.022 0.000 3.292 519 c HA 0.470 5.087 4.570 0.078 0.000 0.369 519 c C 0.365 174.479 174.090 0.040 0.000 2.360 519 c CA -0.905 55.445 56.329 0.035 0.000 1.526 519 c CB 0.982 43.515 42.510 0.039 0.000 2.784 519 c HN 0.502 nan 8.230 nan 0.000 0.490 520 E N 0.771 121.002 120.200 0.051 0.000 2.283 520 E HA 0.338 4.735 4.350 0.078 0.000 0.278 520 E C -0.117 176.530 176.600 0.078 0.000 1.027 520 E CA -0.123 56.314 56.400 0.061 0.000 0.843 520 E CB 0.619 30.361 29.700 0.069 0.000 1.062 520 E HN 0.357 nan 8.360 nan 0.000 0.401 521 R N 2.248 122.796 120.500 0.081 0.000 2.517 521 R HA 0.377 4.764 4.340 0.078 0.000 0.250 521 R C -1.011 175.403 176.300 0.189 0.000 1.213 521 R CA -0.468 55.694 56.100 0.102 0.000 1.146 521 R CB 0.671 31.009 30.300 0.063 0.000 1.279 521 R HN 0.595 nan 8.270 nan 0.000 0.597 522 Y N 0.141 120.454 120.300 0.021 0.000 2.273 522 Y HA 0.020 4.616 4.550 0.078 0.000 0.316 522 Y C -1.017 174.898 175.900 0.024 0.000 1.294 522 Y CA -0.666 57.451 58.100 0.027 0.000 1.198 522 Y CB 0.706 39.189 38.460 0.038 0.000 1.299 522 Y HN 0.838 nan 8.280 nan 0.000 0.413 523 N N 4.265 122.790 118.700 -0.291 0.000 2.725 523 N HA -0.164 4.623 4.740 0.078 0.000 0.251 523 N C 0.568 176.078 175.510 0.001 0.000 1.031 523 N CA 2.314 55.276 53.050 -0.146 0.000 0.720 523 N CB -1.105 37.367 38.487 -0.025 0.000 0.930 523 N HN 1.865 nan 8.380 nan 0.000 0.543 524 G N -0.557 108.239 108.800 -0.007 0.000 2.283 524 G HA2 -0.311 3.696 3.960 0.078 0.000 0.280 524 G HA3 -0.311 3.696 3.960 0.078 0.000 0.280 524 G C -0.267 174.657 174.900 0.040 0.000 1.029 524 G CA 0.940 46.048 45.100 0.014 0.000 0.840 524 G HN 0.744 nan 8.290 nan 0.000 0.505 525 Q N -1.525 118.319 119.800 0.074 0.000 2.379 525 Q HA 0.514 4.900 4.340 0.078 0.000 0.278 525 Q C 0.162 176.209 176.000 0.079 0.000 1.068 525 Q CA -0.864 54.983 55.803 0.074 0.000 0.816 525 Q CB 2.928 31.719 28.738 0.089 0.000 1.387 525 Q HN 0.689 nan 8.270 nan 0.000 0.413 526 V N -1.342 118.600 119.914 0.046 0.000 2.450 526 V HA 0.060 4.227 4.120 0.078 0.000 0.281 526 V C 0.568 176.680 176.094 0.030 0.000 1.019 526 V CA -0.522 61.798 62.300 0.033 0.000 1.062 526 V CB -0.066 31.761 31.823 0.006 0.000 0.979 526 V HN 1.070 nan 8.190 nan 0.000 0.477 527 c N 3.340 121.967 118.600 0.044 0.000 4.259 527 c HA -0.087 4.530 4.570 0.078 0.000 0.294 527 c C 1.672 175.762 174.090 -0.001 0.000 1.459 527 c CA 1.157 57.503 56.329 0.029 0.000 2.016 527 c CB -2.361 40.153 42.510 0.007 0.000 1.274 527 c HN 2.671 nan 8.230 nan 0.000 0.792 528 G N -1.541 107.284 108.800 0.042 0.000 2.203 528 G HA2 0.402 4.409 3.960 0.078 0.000 0.231 528 G HA3 0.402 4.409 3.960 0.078 0.000 0.231 528 G C 0.967 175.866 174.900 -0.002 0.000 1.058 528 G CA 0.533 45.630 45.100 -0.004 0.000 0.781 528 G HN 2.807 nan 8.290 nan 0.000 0.496 529 G N -0.452 108.366 108.800 0.029 0.000 2.894 529 G HA2 0.074 4.081 3.960 0.078 0.000 0.247 529 G HA3 0.074 4.081 3.960 0.078 0.000 0.247 529 G C -0.537 174.360 174.900 -0.005 0.000 1.442 529 G CA 0.319 45.427 45.100 0.013 0.000 0.897 529 G HN 0.846 nan 8.290 nan 0.000 0.550 530 P HA 0.001 nan 4.420 nan 0.000 0.223 530 P C 1.862 179.163 177.300 0.002 0.000 1.151 530 P CA 1.964 65.074 63.100 0.017 0.000 0.787 530 P CB -0.257 31.445 31.700 0.004 0.000 0.788 531 G N 0.924 109.682 108.800 -0.071 0.000 2.464 531 G HA2 -0.188 3.819 3.960 0.078 0.000 0.214 531 G HA3 -0.188 3.819 3.960 0.078 0.000 0.214 531 G C 1.802 176.525 174.900 -0.294 0.000 1.218 531 G CA 0.460 45.452 45.100 -0.180 0.000 0.794 531 G HN 0.169 nan 8.290 nan 0.000 0.542 532 R N 0.149 120.471 120.500 -0.297 0.000 2.082 532 R HA 0.169 4.556 4.340 0.078 0.000 0.228 532 R C 1.524 177.679 176.300 -0.241 0.000 1.140 532 R CA 1.155 56.909 56.100 -0.577 0.000 0.920 532 R CB -0.471 29.586 30.300 -0.406 0.000 0.828 532 R HN 0.422 nan 8.270 nan 0.000 0.430 533 G N -1.105 107.644 108.800 -0.086 0.000 2.921 533 G HA2 0.622 4.629 3.960 0.078 0.000 0.291 533 G HA3 0.622 4.629 3.960 0.078 0.000 0.291 533 G C -1.529 173.321 174.900 -0.084 0.000 1.370 533 G CA -0.699 44.340 45.100 -0.100 0.000 0.847 533 G HN 0.018 nan 8.290 nan 0.000 0.532 534 L N -1.214 119.962 121.223 -0.078 0.000 2.303 534 L HA 0.629 5.016 4.340 0.078 0.000 0.256 534 L C -0.842 176.032 176.870 0.006 0.000 1.034 534 L CA -0.939 53.884 54.840 -0.028 0.000 0.832 534 L CB 2.515 44.612 42.059 0.063 0.000 1.403 534 L HN 0.677 nan 8.230 nan 0.000 0.419 535 c N 0.934 119.414 118.600 -0.200 0.000 2.382 535 c HA 0.724 5.341 4.570 0.078 0.000 0.327 535 c C -1.055 172.756 174.090 -0.465 0.000 1.250 535 c CA -0.522 55.707 56.329 -0.166 0.000 1.707 535 c CB -0.131 42.303 42.510 -0.128 0.000 2.272 535 c HN 0.539 nan 8.230 nan 0.000 0.506 536 F N 4.688 124.716 119.950 0.130 0.000 3.164 536 F HA 0.322 4.896 4.527 0.078 0.000 0.375 536 F C 0.525 176.451 175.800 0.209 0.000 1.257 536 F CA -0.466 57.671 58.000 0.229 0.000 1.171 536 F CB 0.848 39.962 39.000 0.191 0.000 1.588 536 F HN 0.933 nan 8.300 nan 0.000 0.604 537 c N 2.946 121.729 118.600 0.306 0.000 4.209 537 c HA 0.048 4.665 4.570 0.078 0.000 0.305 537 c C 1.511 175.671 174.090 0.117 0.000 1.339 537 c CA 1.384 57.806 56.329 0.155 0.000 2.062 537 c CB -1.747 40.871 42.510 0.179 0.000 1.307 537 c HN 1.881 nan 8.230 nan 0.000 0.706 538 G N 0.565 109.420 108.800 0.091 0.000 3.206 538 G HA2 -0.249 3.758 3.960 0.078 0.000 0.217 538 G HA3 -0.249 3.758 3.960 0.078 0.000 0.217 538 G C 0.198 175.149 174.900 0.085 0.000 1.350 538 G CA 0.555 45.697 45.100 0.070 0.000 0.836 538 G HN 0.871 nan 8.290 nan 0.000 0.548 539 K N 0.628 121.094 120.400 0.109 0.000 2.237 539 K HA 0.493 4.860 4.320 0.078 0.000 0.270 539 K C -0.219 176.462 176.600 0.135 0.000 1.015 539 K CA -0.102 56.249 56.287 0.107 0.000 0.949 539 K CB 1.114 33.675 32.500 0.102 0.000 0.976 539 K HN 0.309 nan 8.250 nan 0.000 0.472 540 c N 2.563 121.225 118.600 0.103 0.000 2.285 540 c HA 0.273 4.890 4.570 0.078 0.000 0.335 540 c C 0.473 174.619 174.090 0.094 0.000 1.267 540 c CA -0.779 55.611 56.329 0.102 0.000 1.762 540 c CB -0.404 42.141 42.510 0.059 0.000 2.365 540 c HN 0.702 nan 8.230 nan 0.000 0.527 541 R N 2.375 122.953 120.500 0.130 0.000 2.593 541 R HA 0.242 4.629 4.340 0.078 0.000 0.282 541 R C -0.397 175.879 176.300 -0.040 0.000 1.300 541 R CA -0.274 55.848 56.100 0.037 0.000 1.221 541 R CB 0.064 30.357 30.300 -0.012 0.000 1.157 541 R HN 0.746 nan 8.270 nan 0.000 0.555 542 c N 2.241 120.828 118.600 -0.023 0.000 2.653 542 c HA 0.053 4.670 4.570 0.078 0.000 0.421 542 c C 1.169 175.229 174.090 -0.050 0.000 1.334 542 c CA -0.489 55.818 56.329 -0.036 0.000 1.885 542 c CB -0.721 41.826 42.510 0.062 0.000 2.645 542 c HN 0.686 nan 8.230 nan 0.000 0.601 543 H N 2.371 121.400 119.070 -0.068 0.000 2.935 543 H HA 0.127 4.730 4.556 0.078 0.000 0.376 543 H C -1.965 173.420 175.328 0.095 0.000 1.307 543 H CA 0.271 56.290 56.048 -0.048 0.000 1.442 543 H CB -0.157 29.498 29.762 -0.179 0.000 1.427 543 H HN 0.462 nan 8.280 nan 0.000 0.615 544 P HA 0.032 nan 4.420 nan 0.000 0.267 544 P C 0.544 178.042 177.300 0.330 0.000 1.205 544 P CA 1.261 64.486 63.100 0.209 0.000 0.765 544 P CB 0.621 32.400 31.700 0.131 0.000 0.828 545 G N 1.165 110.088 108.800 0.206 0.000 2.175 545 G HA2 -0.206 3.801 3.960 0.078 0.000 0.244 545 G HA3 -0.206 3.801 3.960 0.078 0.000 0.244 545 G C -0.343 174.436 174.900 -0.200 0.000 0.982 545 G CA -0.544 44.573 45.100 0.029 0.000 0.641 545 G HN 0.387 nan 8.290 nan 0.000 0.527 546 F N 1.187 121.140 119.950 0.004 0.000 2.561 546 F HA 0.637 5.211 4.527 0.079 0.000 0.313 546 F C 0.162 175.954 175.800 -0.014 0.000 1.126 546 F CA -0.883 57.109 58.000 -0.013 0.000 0.918 546 F CB 1.793 40.784 39.000 -0.016 0.000 1.199 546 F HN 0.372 nan 8.300 nan 0.000 0.444 547 E N 1.163 121.429 120.200 0.111 0.000 2.431 547 E HA 0.916 5.313 4.350 0.078 0.000 0.268 547 E C -0.341 176.293 176.600 0.058 0.000 0.953 547 E CA -1.435 55.007 56.400 0.070 0.000 0.810 547 E CB 2.612 32.333 29.700 0.035 0.000 1.369 547 E HN 0.916 nan 8.360 nan 0.000 0.440 548 G N -0.279 108.550 108.800 0.049 0.000 2.440 548 G HA2 -0.149 3.858 3.960 0.078 0.000 0.684 548 G HA3 -0.149 3.858 3.960 0.078 0.000 0.684 548 G C 0.246 175.178 174.900 0.053 0.000 1.309 548 G CA -0.190 44.941 45.100 0.051 0.000 0.931 548 G HN 0.402 nan 8.290 nan 0.000 0.612 549 S N -0.282 115.454 115.700 0.060 0.000 2.370 549 S HA 0.145 4.661 4.470 0.078 0.000 0.226 549 S C 1.839 176.478 174.600 0.065 0.000 1.033 549 S CA 2.407 60.644 58.200 0.061 0.000 1.011 549 S CB -0.030 63.208 63.200 0.064 0.000 0.852 549 S HN 2.003 nan 8.310 nan 0.000 0.457 550 A N -0.754 122.110 122.820 0.074 0.000 2.663 550 A HA 0.519 4.885 4.320 0.078 0.000 0.273 550 A C 0.631 178.215 177.584 -0.001 0.000 0.932 550 A CA -0.338 51.739 52.037 0.066 0.000 1.055 550 A CB -0.799 18.272 19.000 0.119 0.000 1.206 550 A HN 0.544 nan 8.150 nan 0.000 0.485 551 c N -0.247 118.347 118.600 -0.009 0.000 4.331 551 c HA -0.292 4.325 4.570 0.078 0.000 0.293 551 c C 2.237 176.209 174.090 -0.196 0.000 1.436 551 c CA 1.343 57.638 56.329 -0.057 0.000 1.993 551 c CB -3.172 39.276 42.510 -0.103 0.000 1.266 551 c HN 0.890 nan 8.230 nan 0.000 0.795 552 Q N -0.443 119.350 119.800 -0.011 0.000 2.016 552 Q HA -0.153 4.234 4.340 0.078 0.000 0.200 552 Q C 1.518 177.626 176.000 0.179 0.000 0.978 552 Q CA 1.760 57.686 55.803 0.205 0.000 0.833 552 Q CB -0.345 28.558 28.738 0.274 0.000 0.895 552 Q HN 0.730 nan 8.270 nan 0.000 0.427 553 c N 2.850 121.508 118.600 0.097 0.000 2.773 553 c HA 0.090 4.707 4.570 0.078 0.000 0.442 553 c C 1.618 175.718 174.090 0.017 0.000 1.028 553 c CA -0.343 56.023 56.329 0.063 0.000 1.164 553 c CB -1.840 40.695 42.510 0.040 0.000 1.593 553 c HN 0.628 nan 8.230 nan 0.000 0.557 554 E N 1.983 122.193 120.200 0.017 0.000 2.114 554 E HA -0.154 4.243 4.350 0.078 0.000 0.199 554 E C 0.685 177.157 176.600 -0.212 0.000 1.008 554 E CA 1.214 57.624 56.400 0.016 0.000 0.810 554 E CB 0.227 29.963 29.700 0.059 0.000 0.739 554 E HN 0.696 nan 8.360 nan 0.000 0.456 555 R N -0.462 119.884 120.500 -0.257 0.000 2.514 555 R HA 0.159 4.546 4.340 0.078 0.000 0.301 555 R C 0.351 176.513 176.300 -0.230 0.000 0.962 555 R CA -0.125 55.727 56.100 -0.413 0.000 0.882 555 R CB 1.583 31.689 30.300 -0.324 0.000 1.143 555 R HN -0.092 nan 8.270 nan 0.000 0.452 556 T N 1.057 115.472 114.554 -0.232 0.000 3.148 556 T HA -0.030 4.366 4.350 0.078 0.000 0.253 556 T C 0.980 175.618 174.700 -0.103 0.000 1.134 556 T CA 0.595 62.622 62.100 -0.121 0.000 1.051 556 T CB -0.082 68.733 68.868 -0.087 0.000 0.959 556 T HN 0.784 nan 8.240 nan 0.000 0.525 557 T N -0.329 114.146 114.554 -0.131 0.000 2.715 557 T HA 0.313 4.710 4.350 0.078 0.000 0.320 557 T C -0.016 174.643 174.700 -0.068 0.000 1.046 557 T CA -0.465 61.577 62.100 -0.095 0.000 0.983 557 T CB 0.544 69.347 68.868 -0.108 0.000 1.183 557 T HN 0.263 nan 8.240 nan 0.000 0.522 558 E N -0.584 119.583 120.200 -0.054 0.000 3.117 558 E HA 0.325 4.722 4.350 0.078 0.000 0.262 558 E C 0.686 177.265 176.600 -0.036 0.000 1.202 558 E CA -0.552 55.824 56.400 -0.040 0.000 0.853 558 E CB 0.524 30.204 29.700 -0.032 0.000 1.426 558 E HN 0.887 nan 8.360 nan 0.000 0.387 559 G N 0.104 108.882 108.800 -0.036 0.000 2.776 559 G HA2 -0.152 3.855 3.960 0.078 0.000 0.209 559 G HA3 -0.152 3.855 3.960 0.078 0.000 0.209 559 G C 1.163 176.050 174.900 -0.022 0.000 1.145 559 G CA 0.184 45.266 45.100 -0.030 0.000 0.791 559 G HN 0.493 nan 8.290 nan 0.000 0.530 560 c N 0.373 118.961 118.600 -0.020 0.000 2.466 560 c HA 0.265 4.882 4.570 0.078 0.000 0.283 560 c C 1.292 175.372 174.090 -0.017 0.000 1.472 560 c CA -0.735 55.584 56.329 -0.015 0.000 1.765 560 c CB -1.449 41.053 42.510 -0.014 0.000 1.724 560 c HN 0.281 nan 8.230 nan 0.000 0.560 561 L N 2.767 123.978 121.223 -0.020 0.000 2.371 561 L HA 0.261 4.648 4.340 0.078 0.000 0.272 561 L C 0.309 177.167 176.870 -0.019 0.000 1.124 561 L CA -0.120 54.708 54.840 -0.020 0.000 0.816 561 L CB 0.560 42.606 42.059 -0.022 0.000 1.129 561 L HN 0.386 nan 8.230 nan 0.000 0.448 562 N N 2.899 121.588 118.700 -0.018 0.000 2.566 562 N HA 0.423 5.210 4.740 0.078 0.000 0.299 562 N C -2.281 173.219 175.510 -0.017 0.000 1.277 562 N CA -1.994 51.046 53.050 -0.017 0.000 0.965 562 N CB -0.538 37.940 38.487 -0.015 0.000 1.142 562 N HN 0.104 nan 8.380 nan 0.000 0.596 563 P HA -0.022 nan 4.420 nan 0.000 0.220 563 P C 0.966 178.258 177.300 -0.012 0.000 1.148 563 P CA 1.145 64.236 63.100 -0.016 0.000 0.803 563 P CB 0.181 31.871 31.700 -0.016 0.000 0.782 564 R N -0.669 119.824 120.500 -0.012 0.000 2.193 564 R HA 0.006 4.392 4.340 0.078 0.000 0.229 564 R C 0.535 176.829 176.300 -0.010 0.000 1.110 564 R CA 0.546 56.640 56.100 -0.011 0.000 0.988 564 R CB -0.724 29.567 30.300 -0.015 0.000 0.871 564 R HN 0.106 nan 8.270 nan 0.000 0.458 565 R N -0.600 119.893 120.500 -0.013 0.000 3.651 565 R HA -0.122 4.265 4.340 0.078 0.000 0.292 565 R C -0.540 175.752 176.300 -0.013 0.000 1.161 565 R CA 0.592 56.685 56.100 -0.012 0.000 0.787 565 R CB -2.715 27.581 30.300 -0.008 0.000 1.249 565 R HN 0.214 nan 8.270 nan 0.000 0.476 566 V N 0.431 120.334 119.914 -0.017 0.000 2.487 566 V HA 0.289 4.456 4.120 0.078 0.000 0.298 566 V C 0.339 176.418 176.094 -0.025 0.000 1.028 566 V CA -0.802 61.486 62.300 -0.021 0.000 0.860 566 V CB 1.746 33.555 31.823 -0.024 0.000 0.991 566 V HN 0.277 nan 8.190 nan 0.000 0.427 567 E N 4.285 124.470 120.200 -0.024 0.000 2.465 567 E HA 0.105 4.502 4.350 0.078 0.000 0.260 567 E C 0.702 177.283 176.600 -0.031 0.000 0.980 567 E CA 0.458 56.843 56.400 -0.024 0.000 0.927 567 E CB 0.198 29.885 29.700 -0.021 0.000 0.934 567 E HN 0.977 nan 8.360 nan 0.000 0.459 568 c N 3.409 121.993 118.600 -0.027 0.000 4.184 568 c HA -0.280 4.337 4.570 0.078 0.000 0.295 568 c C 1.503 175.561 174.090 -0.054 0.000 1.477 568 c CA 0.583 56.893 56.329 -0.031 0.000 2.037 568 c CB -3.272 39.222 42.510 -0.026 0.000 1.282 568 c HN 1.045 nan 8.230 nan 0.000 0.783 569 S N -1.019 114.649 115.700 -0.053 0.000 4.150 569 S HA -0.364 4.153 4.470 0.078 0.000 0.551 569 S C 1.659 176.191 174.600 -0.113 0.000 1.874 569 S CA 2.096 60.253 58.200 -0.073 0.000 4.241 569 S CB -1.554 61.606 63.200 -0.067 0.000 0.292 569 S HN 1.545 nan 8.310 nan 0.000 0.469 570 G N 2.098 110.785 108.800 -0.188 0.000 2.616 570 G HA2 0.152 4.159 3.960 0.078 0.000 0.215 570 G HA3 0.152 4.159 3.960 0.078 0.000 0.215 570 G C 0.371 175.144 174.900 -0.211 0.000 1.284 570 G CA 0.955 45.904 45.100 -0.251 0.000 0.823 570 G HN 0.522 nan 8.290 nan 0.000 0.569 571 R N -0.648 119.704 120.500 -0.247 0.000 2.807 571 R HA 0.610 4.997 4.340 0.078 0.000 0.276 571 R C -0.598 175.662 176.300 -0.067 0.000 0.979 571 R CA 0.061 56.082 56.100 -0.131 0.000 0.928 571 R CB 1.465 31.706 30.300 -0.099 0.000 1.191 571 R HN 0.858 nan 8.270 nan 0.000 0.471 572 G N 2.030 110.817 108.800 -0.021 0.000 2.897 572 G HA2 -0.106 3.901 3.960 0.078 0.000 0.392 572 G HA3 -0.106 3.901 3.960 0.078 0.000 0.392 572 G C -0.673 174.225 174.900 -0.003 0.000 1.263 572 G CA -0.904 44.198 45.100 0.003 0.000 1.185 572 G HN 0.558 nan 8.290 nan 0.000 0.573 573 R N 0.855 121.359 120.500 0.007 0.000 2.756 573 R HA 0.351 4.738 4.340 0.078 0.000 0.264 573 R C 0.422 176.723 176.300 0.002 0.000 1.026 573 R CA 0.271 56.373 56.100 0.003 0.000 1.121 573 R CB 0.517 30.823 30.300 0.010 0.000 0.999 573 R HN 0.745 nan 8.270 nan 0.000 0.449 574 c N 5.920 124.519 118.600 -0.002 0.000 2.116 574 c HA 0.391 5.008 4.570 0.078 0.000 0.367 574 c C -0.243 173.846 174.090 -0.001 0.000 1.039 574 c CA -0.580 55.747 56.329 -0.004 0.000 1.465 574 c CB -1.262 41.242 42.510 -0.011 0.000 1.783 574 c HN 0.715 nan 8.230 nan 0.000 0.470 575 R N 3.630 124.133 120.500 0.006 0.000 2.229 575 R HA 0.392 4.779 4.340 0.078 0.000 0.332 575 R C 0.466 176.774 176.300 0.013 0.000 0.989 575 R CA -0.272 55.835 56.100 0.011 0.000 0.842 575 R CB 0.565 30.876 30.300 0.018 0.000 1.119 575 R HN 0.834 nan 8.270 nan 0.000 0.456 576 c N 3.184 121.789 118.600 0.008 0.000 4.424 576 c HA -0.132 4.485 4.570 0.078 0.000 0.304 576 c C 0.172 174.266 174.090 0.007 0.000 1.344 576 c CA 0.120 56.456 56.329 0.012 0.000 2.033 576 c CB -2.450 40.086 42.510 0.043 0.000 1.264 576 c HN 1.097 nan 8.230 nan 0.000 0.750 577 N N -2.260 116.435 118.700 -0.010 0.000 2.735 577 N HA -0.173 4.614 4.740 0.078 0.000 0.248 577 N C -0.574 174.936 175.510 0.001 0.000 1.083 577 N CA 1.400 54.443 53.050 -0.011 0.000 0.703 577 N CB -0.722 37.755 38.487 -0.016 0.000 1.005 577 N HN 0.840 nan 8.380 nan 0.000 0.550 578 V N -0.618 119.299 119.914 0.005 0.000 2.888 578 V HA 0.471 4.638 4.120 0.078 0.000 0.309 578 V C 0.274 176.374 176.094 0.009 0.000 1.114 578 V CA -0.900 61.407 62.300 0.010 0.000 0.940 578 V CB 2.511 34.344 31.823 0.018 0.000 1.021 578 V HN 0.218 nan 8.190 nan 0.000 0.426 579 c N 2.192 120.798 118.600 0.011 0.000 2.366 579 c HA 0.527 5.143 4.570 0.078 0.000 0.345 579 c C 0.658 174.760 174.090 0.020 0.000 1.209 579 c CA -0.545 55.791 56.329 0.011 0.000 2.050 579 c CB 0.876 43.391 42.510 0.008 0.000 2.359 579 c HN 0.989 nan 8.230 nan 0.000 0.527 580 E N 1.054 121.267 120.200 0.022 0.000 2.490 580 E HA 0.246 4.643 4.350 0.078 0.000 0.232 580 E C -0.610 176.017 176.600 0.046 0.000 1.091 580 E CA -0.355 56.063 56.400 0.031 0.000 1.050 580 E CB 0.100 29.818 29.700 0.031 0.000 1.342 580 E HN 0.810 nan 8.360 nan 0.000 0.454 581 c N 3.310 121.941 118.600 0.053 0.000 2.590 581 c HA 0.000 4.617 4.570 0.078 0.000 0.411 581 c C 1.005 175.166 174.090 0.117 0.000 1.420 581 c CA -0.539 55.838 56.329 0.080 0.000 1.643 581 c CB -1.000 41.587 42.510 0.128 0.000 2.528 581 c HN 0.612 nan 8.230 nan 0.000 0.606 582 H N 2.342 121.435 119.070 0.039 0.000 2.745 582 H HA 0.162 4.764 4.556 0.078 0.000 0.373 582 H C 1.093 176.534 175.328 0.188 0.000 1.226 582 H CA 1.880 57.972 56.048 0.074 0.000 1.435 582 H CB 0.814 30.595 29.762 0.031 0.000 1.461 582 H HN 0.969 nan 8.280 nan 0.000 0.616 583 S N 1.103 116.565 115.700 -0.396 0.000 3.469 583 S HA -0.275 4.242 4.470 0.078 0.000 0.628 583 S C 1.305 175.914 174.600 0.016 0.000 2.687 583 S CA 1.290 59.440 58.200 -0.083 0.000 3.829 583 S CB -1.524 61.825 63.200 0.248 0.000 0.258 583 S HN 1.035 nan 8.310 nan 0.000 1.222 584 G N -0.311 108.501 108.800 0.019 0.000 3.284 584 G HA2 0.372 4.378 3.960 0.078 0.000 0.236 584 G HA3 0.372 4.378 3.960 0.078 0.000 0.236 584 G C -0.084 174.793 174.900 -0.038 0.000 1.158 584 G CA -0.019 45.062 45.100 -0.032 0.000 0.774 584 G HN 0.552 nan 8.290 nan 0.000 0.545 585 Y N 1.509 121.818 120.300 0.015 0.000 2.717 585 Y HA 0.103 4.699 4.550 0.077 0.000 0.330 585 Y C 1.142 177.047 175.900 0.009 0.000 1.217 585 Y CA 0.272 58.384 58.100 0.020 0.000 1.506 585 Y CB 0.592 39.072 38.460 0.033 0.000 1.268 585 Y HN 0.098 nan 8.280 nan 0.000 0.561 586 Q N 1.927 121.804 119.800 0.128 0.000 2.252 586 Q HA 0.431 4.818 4.340 0.078 0.000 0.256 586 Q C -0.706 175.337 176.000 0.073 0.000 1.020 586 Q CA -1.080 54.765 55.803 0.071 0.000 0.913 586 Q CB 1.723 30.479 28.738 0.029 0.000 1.286 586 Q HN 0.486 nan 8.270 nan 0.000 0.480 587 L N 1.413 122.663 121.223 0.044 0.000 2.468 587 L HA 0.208 4.595 4.340 0.078 0.000 0.254 587 L C -1.223 175.664 176.870 0.028 0.000 1.171 587 L CA -0.794 54.067 54.840 0.035 0.000 0.809 587 L CB -0.521 41.551 42.059 0.023 0.000 1.155 587 L HN 0.549 nan 8.230 nan 0.000 0.473 588 P HA 0.124 nan 4.420 nan 0.000 0.224 588 P C 0.983 178.294 177.300 0.017 0.000 1.159 588 P CA 0.789 63.898 63.100 0.016 0.000 0.824 588 P CB 0.429 32.134 31.700 0.008 0.000 0.833 589 L N -0.998 120.236 121.223 0.018 0.000 2.728 589 L HA 0.240 4.626 4.340 0.078 0.000 0.238 589 L C -0.301 176.579 176.870 0.017 0.000 1.143 589 L CA -0.288 54.558 54.840 0.010 0.000 0.937 589 L CB -0.476 41.585 42.059 0.002 0.000 1.225 589 L HN -0.100 nan 8.230 nan 0.000 0.507 590 c N 1.667 120.297 118.600 0.049 0.000 3.547 590 c HA -0.118 4.499 4.570 0.078 0.000 0.299 590 c C 1.539 175.695 174.090 0.110 0.000 1.148 590 c CA 0.684 57.066 56.329 0.088 0.000 2.364 590 c CB -1.956 40.562 42.510 0.013 0.000 1.453 590 c HN 0.788 nan 8.230 nan 0.000 0.549 591 Q N -0.197 119.717 119.800 0.189 0.000 2.577 591 Q HA 0.188 4.575 4.340 0.078 0.000 0.242 591 Q C 0.201 176.368 176.000 0.279 0.000 0.818 591 Q CA 0.576 56.501 55.803 0.205 0.000 0.962 591 Q CB 0.358 29.148 28.738 0.087 0.000 1.272 591 Q HN 0.837 nan 8.270 nan 0.000 0.593 592 E N 1.029 121.320 120.200 0.152 0.000 2.115 592 E HA 0.311 4.707 4.350 0.078 0.000 0.282 592 E C -1.147 175.408 176.600 -0.075 0.000 0.987 592 E CA -0.395 56.026 56.400 0.036 0.000 0.797 592 E CB 1.604 31.315 29.700 0.019 0.000 1.086 592 E HN 0.260 nan 8.360 nan 0.000 0.397 593 C N 7.148 126.278 119.300 -0.283 0.000 2.125 593 C HA 0.311 4.817 4.460 0.078 0.000 0.355 593 C C -1.372 173.507 174.990 -0.185 0.000 1.047 593 C CA -2.224 56.569 59.018 -0.374 0.000 1.501 593 C CB -0.813 26.468 27.740 -0.764 0.000 1.783 593 C HN 0.661 nan 8.230 nan 0.000 0.455 594 P HA -0.049 nan 4.420 nan 0.000 0.216 594 P C 1.528 178.793 177.300 -0.058 0.000 1.150 594 P CA 1.792 64.855 63.100 -0.062 0.000 0.843 594 P CB 0.062 31.738 31.700 -0.041 0.000 0.787 595 G N -1.960 106.800 108.800 -0.067 0.000 2.813 595 G HA2 -0.063 3.944 3.960 0.078 0.000 0.209 595 G HA3 -0.063 3.944 3.960 0.078 0.000 0.209 595 G C 0.364 175.235 174.900 -0.048 0.000 1.150 595 G CA -0.125 44.946 45.100 -0.048 0.000 0.785 595 G HN 0.276 nan 8.290 nan 0.000 0.535 596 C N 0.830 120.086 119.300 -0.074 0.000 2.689 596 C HA 0.197 4.704 4.460 0.078 0.000 0.409 596 C C -0.213 174.765 174.990 -0.019 0.000 1.293 596 C CA -0.705 58.279 59.018 -0.055 0.000 2.136 596 C CB 1.434 29.115 27.740 -0.098 0.000 2.719 596 C HN 0.292 nan 8.230 nan 0.000 0.644 597 P HA -0.044 nan 4.420 nan 0.000 0.228 597 P C 0.554 177.867 177.300 0.023 0.000 1.151 597 P CA 0.889 64.001 63.100 0.021 0.000 0.770 597 P CB -0.038 31.686 31.700 0.040 0.000 0.786 598 S N -0.210 115.501 115.700 0.018 0.000 3.484 598 S HA -0.079 4.438 4.470 0.078 0.000 0.384 598 S C -2.007 172.600 174.600 0.013 0.000 0.932 598 S CA -0.347 57.858 58.200 0.009 0.000 1.293 598 S CB -1.098 62.101 63.200 -0.001 0.000 0.919 598 S HN 0.154 nan 8.310 nan 0.000 0.540 599 P HA 0.287 nan 4.420 nan 0.000 0.270 599 P C 0.436 177.796 177.300 0.100 0.000 1.242 599 P CA -0.371 62.806 63.100 0.128 0.000 0.768 599 P CB 0.840 32.697 31.700 0.263 0.000 0.820 600 c N 2.727 121.422 118.600 0.158 0.000 2.820 600 c HA 0.238 4.855 4.570 0.078 0.000 0.323 600 c C 1.673 175.975 174.090 0.352 0.000 1.279 600 c CA 0.522 56.982 56.329 0.219 0.000 1.790 600 c CB -0.344 42.254 42.510 0.147 0.000 2.328 600 c HN 0.657 nan 8.230 nan 0.000 0.579 601 G N 0.197 109.142 108.800 0.242 0.000 2.559 601 G HA2 0.317 4.324 3.960 0.078 0.000 0.235 601 G HA3 0.317 4.324 3.960 0.078 0.000 0.235 601 G C 0.451 175.410 174.900 0.099 0.000 1.266 601 G CA 0.326 45.516 45.100 0.151 0.000 0.847 601 G HN 0.630 nan 8.290 nan 0.000 0.583 602 K N -0.175 120.214 120.400 -0.017 0.000 3.529 602 K HA -0.264 4.103 4.320 0.078 0.000 0.313 602 K C 0.835 177.243 176.600 -0.319 0.000 1.316 602 K CA 1.934 58.112 56.287 -0.182 0.000 0.988 602 K CB -1.154 31.171 32.500 -0.292 0.000 1.252 602 K HN 0.605 nan 8.250 nan 0.000 0.438 603 Y N -0.582 119.707 120.300 -0.018 0.000 2.498 603 Y HA 0.190 4.788 4.550 0.079 0.000 0.259 603 Y C 2.113 177.956 175.900 -0.095 0.000 1.086 603 Y CA -0.182 57.873 58.100 -0.075 0.000 1.287 603 Y CB 0.354 38.750 38.460 -0.106 0.000 1.146 603 Y HN -0.030 nan 8.280 nan 0.000 0.523 604 I N -0.441 120.198 120.570 0.115 0.000 2.208 604 I HA -0.321 3.896 4.170 0.078 0.000 0.245 604 I C 2.540 178.674 176.117 0.029 0.000 1.097 604 I CA 1.603 62.944 61.300 0.069 0.000 1.363 604 I CB -1.268 36.799 38.000 0.112 0.000 1.051 604 I HN 0.187 nan 8.210 nan 0.000 0.413 605 S N -0.097 115.645 115.700 0.069 0.000 2.383 605 S HA -0.195 4.322 4.470 0.078 0.000 0.229 605 S C 2.122 176.673 174.600 -0.081 0.000 1.030 605 S CA 1.797 60.059 58.200 0.103 0.000 1.002 605 S CB -0.184 63.134 63.200 0.197 0.000 0.829 605 S HN 0.542 nan 8.310 nan 0.000 0.467 606 c N 0.921 119.478 118.600 -0.071 0.000 2.634 606 c HA 0.535 5.152 4.570 0.078 0.000 0.268 606 c C 2.882 176.905 174.090 -0.111 0.000 1.322 606 c CA -0.168 56.105 56.329 -0.093 0.000 1.737 606 c CB -1.180 41.298 42.510 -0.055 0.000 1.976 606 c HN 0.717 nan 8.230 nan 0.000 0.547 607 A N 1.846 124.578 122.820 -0.146 0.000 1.929 607 A HA -0.151 4.216 4.320 0.078 0.000 0.216 607 A C 2.053 179.570 177.584 -0.112 0.000 1.176 607 A CA 1.546 53.453 52.037 -0.218 0.000 0.628 607 A CB -0.491 18.234 19.000 -0.459 0.000 0.816 607 A HN 0.795 nan 8.150 nan 0.000 0.444 608 E N -1.464 118.669 120.200 -0.110 0.000 2.489 608 E HA 0.001 4.398 4.350 0.078 0.000 0.193 608 E C 1.306 177.851 176.600 -0.092 0.000 1.057 608 E CA 0.654 57.011 56.400 -0.071 0.000 0.866 608 E CB -0.415 29.209 29.700 -0.127 0.000 0.916 608 E HN 0.442 nan 8.360 nan 0.000 0.500 609 c N 0.141 118.661 118.600 -0.134 0.000 2.799 609 c HA 0.368 4.985 4.570 0.078 0.000 0.267 609 c C 1.607 175.652 174.090 -0.075 0.000 1.257 609 c CA -0.178 56.064 56.329 -0.145 0.000 1.702 609 c CB -0.833 41.566 42.510 -0.186 0.000 1.934 609 c HN 0.548 nan 8.230 nan 0.000 0.594 610 L N -0.149 121.047 121.223 -0.045 0.000 2.675 610 L HA 0.271 4.658 4.340 0.078 0.000 0.178 610 L C 2.318 179.175 176.870 -0.021 0.000 1.135 610 L CA 0.290 55.111 54.840 -0.032 0.000 0.855 610 L CB -0.885 41.154 42.059 -0.033 0.000 1.235 610 L HN -0.041 nan 8.230 nan 0.000 0.499 611 K N 1.060 121.462 120.400 0.003 0.000 1.974 611 K HA 0.003 4.370 4.320 0.078 0.000 0.211 611 K C 0.446 177.007 176.600 -0.066 0.000 1.039 611 K CA 1.307 57.575 56.287 -0.032 0.000 0.947 611 K CB -0.561 31.950 32.500 0.017 0.000 0.735 611 K HN -0.150 nan 8.250 nan 0.000 0.441 612 F N 1.721 121.624 119.950 -0.078 0.000 2.403 612 F HA 0.224 4.799 4.527 0.079 0.000 0.320 612 F C 0.774 176.529 175.800 -0.076 0.000 1.176 612 F CA -0.162 57.801 58.000 -0.062 0.000 1.206 612 F CB 0.483 39.453 39.000 -0.049 0.000 1.235 612 F HN 0.054 nan 8.300 nan 0.000 0.565 613 E N 1.476 121.742 120.200 0.109 0.000 2.969 613 E HA 0.084 4.481 4.350 0.078 0.000 0.213 613 E C -0.338 176.270 176.600 0.013 0.000 1.107 613 E CA -0.098 56.315 56.400 0.021 0.000 1.007 613 E CB 0.735 30.433 29.700 -0.004 0.000 1.326 613 E HN 0.493 nan 8.360 nan 0.000 0.432 614 K N 0.561 120.949 120.400 -0.021 0.000 2.965 614 K HA 0.265 4.632 4.320 0.078 0.000 0.216 614 K C 0.000 176.489 176.600 -0.186 0.000 1.164 614 K CA -0.016 56.249 56.287 -0.037 0.000 1.153 614 K CB 0.116 32.620 32.500 0.006 0.000 1.045 614 K HN 0.489 nan 8.250 nan 0.000 0.460 615 G N 3.151 111.829 108.800 -0.203 0.000 3.129 615 G HA2 -0.131 3.876 3.960 0.078 0.000 0.385 615 G HA3 -0.131 3.876 3.960 0.078 0.000 0.385 615 G C -2.703 171.844 174.900 -0.589 0.000 1.046 615 G CA -0.966 43.981 45.100 -0.255 0.000 0.933 615 G HN 0.211 nan 8.290 nan 0.000 0.424 616 P HA 0.077 nan 4.420 nan 0.000 0.256 616 P C 0.870 178.073 177.300 -0.161 0.000 1.189 616 P CA 0.330 63.260 63.100 -0.284 0.000 0.808 616 P CB 0.036 31.659 31.700 -0.128 0.000 0.793 617 F N 2.399 122.336 119.950 -0.021 0.000 2.025 617 F HA -0.056 4.519 4.527 0.079 0.000 0.291 617 F C 2.810 178.597 175.800 -0.022 0.000 1.150 617 F CA 1.112 59.098 58.000 -0.023 0.000 1.166 617 F CB -1.124 37.858 39.000 -0.030 0.000 0.995 617 F HN 0.278 nan 8.300 nan 0.000 0.474 618 G N -0.259 108.655 108.800 0.190 0.000 2.469 618 G HA2 -0.166 3.841 3.960 0.078 0.000 0.219 618 G HA3 -0.166 3.841 3.960 0.078 0.000 0.219 618 G C 1.068 176.001 174.900 0.056 0.000 1.150 618 G CA 1.435 46.589 45.100 0.090 0.000 0.763 618 G HN 0.303 nan 8.290 nan 0.000 0.561 619 K N -2.018 118.407 120.400 0.042 0.000 3.157 619 K HA 0.265 4.632 4.320 0.078 0.000 0.309 619 K C 0.144 176.750 176.600 0.009 0.000 1.183 619 K CA -0.575 55.726 56.287 0.022 0.000 1.198 619 K CB 0.116 32.623 32.500 0.011 0.000 3.317 619 K HN 0.093 nan 8.250 nan 0.000 1.071 620 N N -0.632 118.065 118.700 -0.005 0.000 3.040 620 N HA 0.481 5.268 4.740 0.078 0.000 0.339 620 N C -1.073 174.416 175.510 -0.035 0.000 1.387 620 N CA -0.515 52.522 53.050 -0.022 0.000 0.745 620 N CB 1.172 39.649 38.487 -0.016 0.000 1.237 620 N HN 0.404 nan 8.380 nan 0.000 0.565 621 c N -1.890 116.686 118.600 -0.039 0.000 3.235 621 c HA 0.565 5.182 4.570 0.078 0.000 0.351 621 c C 0.216 174.293 174.090 -0.022 0.000 1.520 621 c CA -0.141 56.164 56.329 -0.039 0.000 1.474 621 c CB 0.946 43.419 42.510 -0.062 0.000 2.019 621 c HN 0.827 nan 8.230 nan 0.000 0.446 622 S N -0.994 114.697 115.700 -0.014 0.000 3.261 622 S HA -0.223 4.293 4.470 0.078 0.000 0.287 622 S C 0.313 174.914 174.600 0.002 0.000 1.281 622 S CA 1.356 59.554 58.200 -0.002 0.000 1.053 622 S CB -1.646 61.552 63.200 -0.003 0.000 1.251 622 S HN 1.319 nan 8.310 nan 0.000 0.659 623 A N -0.415 122.405 122.820 -0.002 0.000 1.780 623 A HA 0.787 5.154 4.320 0.078 0.000 0.208 623 A C 1.421 179.005 177.584 0.001 0.000 1.761 623 A CA 0.800 52.838 52.037 0.001 0.000 1.183 623 A CB -0.413 18.586 19.000 -0.001 0.000 1.162 623 A HN 1.226 nan 8.150 nan 0.000 0.472 624 A N -1.128 121.688 122.820 -0.007 0.000 2.379 624 A HA 0.440 4.807 4.320 0.078 0.000 0.236 624 A C 0.357 177.931 177.584 -0.017 0.000 1.272 624 A CA 0.621 52.651 52.037 -0.012 0.000 0.886 624 A CB -0.845 18.146 19.000 -0.015 0.000 0.962 624 A HN 0.651 nan 8.150 nan 0.000 0.504 625 c N 0.278 118.876 118.600 -0.003 0.000 3.421 625 c HA 0.277 4.894 4.570 0.078 0.000 0.194 625 c C -1.935 172.180 174.090 0.041 0.000 1.418 625 c CA -0.790 55.546 56.329 0.011 0.000 1.226 625 c CB 0.374 42.878 42.510 -0.009 0.000 1.875 625 c HN 0.445 nan 8.230 nan 0.000 0.561 626 P HA 0.028 nan 4.420 nan 0.000 0.259 626 P C 1.001 178.372 177.300 0.117 0.000 1.307 626 P CA 0.861 64.005 63.100 0.073 0.000 0.768 626 P CB -0.142 31.599 31.700 0.068 0.000 1.199 627 G N 0.876 109.764 108.800 0.147 0.000 3.197 627 G HA2 0.043 4.050 3.960 0.078 0.000 0.257 627 G HA3 0.043 4.050 3.960 0.078 0.000 0.257 627 G C 0.924 175.893 174.900 0.115 0.000 0.835 627 G CA -0.323 44.892 45.100 0.190 0.000 2.001 627 G HN 0.133 nan 8.290 nan 0.000 0.625 628 L N 0.116 121.393 121.223 0.090 0.000 2.127 628 L HA 0.000 4.387 4.340 0.078 0.000 0.211 628 L C 1.606 178.508 176.870 0.053 0.000 1.089 628 L CA 1.462 56.336 54.840 0.058 0.000 0.757 628 L CB -0.275 41.811 42.059 0.046 0.000 0.899 628 L HN 0.429 nan 8.230 nan 0.000 0.434 629 Q N -0.634 119.206 119.800 0.067 0.000 2.235 629 Q HA 0.402 4.789 4.340 0.078 0.000 0.250 629 Q C -0.896 175.145 176.000 0.068 0.000 0.909 629 Q CA -0.319 55.521 55.803 0.062 0.000 0.910 629 Q CB 1.891 30.668 28.738 0.064 0.000 1.223 629 Q HN 0.114 nan 8.270 nan 0.000 0.432 630 L N 2.111 123.372 121.223 0.063 0.000 2.669 630 L HA 0.168 4.555 4.340 0.078 0.000 0.273 630 L C -0.598 176.331 176.870 0.097 0.000 1.441 630 L CA -0.071 54.810 54.840 0.069 0.000 0.745 630 L CB 0.959 43.038 42.059 0.034 0.000 1.044 630 L HN 0.660 nan 8.230 nan 0.000 0.523 631 S N -0.305 115.462 115.700 0.112 0.000 2.573 631 S HA 0.044 4.561 4.470 0.078 0.000 0.297 631 S C 0.512 175.219 174.600 0.178 0.000 1.280 631 S CA -0.097 58.172 58.200 0.114 0.000 1.061 631 S CB 0.198 63.455 63.200 0.095 0.000 0.812 631 S HN 0.521 nan 8.310 nan 0.000 0.500 632 N N 3.791 122.576 118.700 0.142 0.000 3.303 632 N HA 0.271 5.058 4.740 0.078 0.000 0.304 632 N C -0.763 174.804 175.510 0.094 0.000 1.302 632 N CA -0.019 53.141 53.050 0.182 0.000 1.213 632 N CB -0.735 37.822 38.487 0.116 0.000 1.481 632 N HN 0.523 nan 8.380 nan 0.000 0.546 633 N N -0.240 118.477 118.700 0.028 0.000 2.710 633 N HA 0.309 5.096 4.740 0.078 0.000 0.257 633 N C -2.852 172.462 175.510 -0.326 0.000 1.327 633 N CA -1.147 51.825 53.050 -0.131 0.000 0.861 633 N CB 1.965 40.427 38.487 -0.042 0.000 1.532 633 N HN -0.115 nan 8.380 nan 0.000 0.499 634 P HA 0.068 nan 4.420 nan 0.000 0.235 634 P C 0.158 177.384 177.300 -0.123 0.000 1.765 634 P CA -0.198 62.724 63.100 -0.297 0.000 1.034 634 P CB -0.221 31.357 31.700 -0.205 0.000 1.984 635 V N -0.707 119.171 119.914 -0.061 0.000 3.133 635 V HA 0.455 4.622 4.120 0.078 0.000 0.305 635 V C 0.381 176.496 176.094 0.034 0.000 1.084 635 V CA -0.149 62.159 62.300 0.013 0.000 1.089 635 V CB 0.956 32.815 31.823 0.061 0.000 1.073 635 V HN 0.191 nan 8.190 nan 0.000 0.477 636 K N 0.068 120.493 120.400 0.041 0.000 2.454 636 K HA 0.703 5.070 4.320 0.078 0.000 0.279 636 K C 0.369 176.995 176.600 0.044 0.000 1.020 636 K CA -0.400 55.912 56.287 0.042 0.000 0.850 636 K CB 1.555 34.066 32.500 0.017 0.000 1.529 636 K HN 1.164 nan 8.250 nan 0.000 0.390 637 G N 0.452 109.272 108.800 0.034 0.000 2.882 637 G HA2 -0.164 3.843 3.960 0.078 0.000 0.198 637 G HA3 -0.164 3.843 3.960 0.078 0.000 0.198 637 G C -0.600 174.317 174.900 0.029 0.000 1.977 637 G CA -0.599 44.519 45.100 0.030 0.000 1.541 637 G HN 0.285 nan 8.290 nan 0.000 0.567 638 R N 2.455 122.981 120.500 0.044 0.000 4.138 638 R HA 0.318 4.705 4.340 0.078 0.000 0.206 638 R C 0.333 176.644 176.300 0.019 0.000 1.667 638 R CA 0.436 56.555 56.100 0.033 0.000 1.481 638 R CB -0.297 30.034 30.300 0.051 0.000 1.388 638 R HN 0.407 nan 8.270 nan 0.000 0.776 639 T N 1.090 115.646 114.554 0.004 0.000 2.761 639 T HA -0.031 4.366 4.350 0.078 0.000 0.262 639 T C 0.328 174.988 174.700 -0.067 0.000 0.968 639 T CA 0.099 62.188 62.100 -0.018 0.000 1.235 639 T CB -0.613 68.244 68.868 -0.017 0.000 0.925 639 T HN 0.441 nan 8.240 nan 0.000 0.545 640 c N 5.444 123.966 118.600 -0.130 0.000 2.358 640 c HA 0.810 5.427 4.570 0.078 0.000 0.354 640 c C -0.150 173.669 174.090 -0.451 0.000 1.183 640 c CA -0.742 55.428 56.329 -0.264 0.000 2.150 640 c CB 0.706 43.052 42.510 -0.274 0.000 2.361 640 c HN 1.040 nan 8.230 nan 0.000 0.535 641 K N 3.643 123.817 120.400 -0.378 0.000 2.805 641 K HA 0.275 4.642 4.320 0.078 0.000 0.276 641 K C -0.836 175.713 176.600 -0.086 0.000 1.209 641 K CA -0.119 55.995 56.287 -0.287 0.000 1.065 641 K CB 0.277 32.693 32.500 -0.139 0.000 1.363 641 K HN 0.806 nan 8.250 nan 0.000 0.546 642 E N 1.514 121.670 120.200 -0.074 0.000 2.518 642 E HA 0.493 4.889 4.350 0.078 0.000 0.241 642 E C -0.118 176.557 176.600 0.125 0.000 0.899 642 E CA -0.780 55.680 56.400 0.100 0.000 0.888 642 E CB 1.056 30.813 29.700 0.096 0.000 1.426 642 E HN 0.442 nan 8.360 nan 0.000 0.401 643 R N 0.475 120.977 120.500 0.004 0.000 2.606 643 R HA 0.255 4.642 4.340 0.078 0.000 0.249 643 R C 0.198 176.452 176.300 -0.076 0.000 1.127 643 R CA -0.588 55.410 56.100 -0.169 0.000 1.133 643 R CB 0.319 30.363 30.300 -0.425 0.000 1.243 643 R HN 0.564 nan 8.270 nan 0.000 0.558 644 D N -1.077 119.241 120.400 -0.136 0.000 2.560 644 D HA 0.018 4.705 4.640 0.078 0.000 0.277 644 D C 0.782 177.054 176.300 -0.047 0.000 1.194 644 D CA -0.388 53.564 54.000 -0.080 0.000 1.092 644 D CB -0.164 40.554 40.800 -0.135 0.000 1.169 644 D HN 0.398 nan 8.370 nan 0.000 0.607 645 S N -1.611 114.104 115.700 0.025 0.000 2.428 645 S HA -0.048 4.469 4.470 0.078 0.000 0.230 645 S C 0.450 175.015 174.600 -0.059 0.000 1.014 645 S CA 0.465 58.687 58.200 0.036 0.000 0.957 645 S CB -0.435 62.928 63.200 0.271 0.000 0.784 645 S HN 0.570 nan 8.310 nan 0.000 0.499 646 E N 0.237 120.399 120.200 -0.064 0.000 3.117 646 E HA 0.459 4.856 4.350 0.078 0.000 0.262 646 E C 0.372 176.899 176.600 -0.122 0.000 1.202 646 E CA -0.108 56.239 56.400 -0.087 0.000 0.853 646 E CB 0.863 30.534 29.700 -0.049 0.000 1.426 646 E HN 0.372 nan 8.360 nan 0.000 0.387 647 G N 1.139 109.824 108.800 -0.192 0.000 3.586 647 G HA2 -0.317 3.690 3.960 0.078 0.000 0.212 647 G HA3 -0.317 3.690 3.960 0.078 0.000 0.212 647 G C 0.547 175.217 174.900 -0.383 0.000 1.411 647 G CA -0.160 44.782 45.100 -0.264 0.000 0.898 647 G HN 0.532 nan 8.290 nan 0.000 0.575 648 c N 2.627 121.091 118.600 -0.227 0.000 2.648 648 c HA 0.357 4.973 4.570 0.078 0.000 0.419 648 c C 0.920 174.913 174.090 -0.161 0.000 1.352 648 c CA -0.512 55.733 56.329 -0.141 0.000 1.816 648 c CB -0.814 41.659 42.510 -0.061 0.000 2.598 648 c HN 0.338 nan 8.230 nan 0.000 0.598 649 W N 4.348 125.628 121.300 -0.034 0.000 2.659 649 W HA 0.301 5.007 4.660 0.077 0.000 0.342 649 W C -0.434 176.060 176.519 -0.041 0.000 1.287 649 W CA -0.009 57.317 57.345 -0.032 0.000 1.460 649 W CB 0.215 29.660 29.460 -0.026 0.000 1.503 649 W HN 0.388 nan 8.180 nan 0.000 0.483 650 V N 4.685 124.668 119.914 0.114 0.000 2.385 650 V HA 0.341 4.508 4.120 0.078 0.000 0.269 650 V C 0.718 176.905 176.094 0.154 0.000 1.043 650 V CA -0.675 61.676 62.300 0.084 0.000 0.906 650 V CB 0.445 32.265 31.823 -0.006 0.000 0.995 650 V HN 0.502 nan 8.190 nan 0.000 0.467 651 A N 5.916 128.813 122.820 0.129 0.000 2.286 651 A HA 0.918 5.285 4.320 0.078 0.000 0.286 651 A C -0.713 176.960 177.584 0.148 0.000 1.097 651 A CA -0.322 51.729 52.037 0.022 0.000 0.821 651 A CB 0.589 19.619 19.000 0.052 0.000 1.076 651 A HN 1.407 nan 8.150 nan 0.000 0.490 652 Y N -1.660 118.685 120.300 0.074 0.000 2.365 652 Y HA 0.450 5.046 4.550 0.077 0.000 0.324 652 Y C -0.155 175.793 175.900 0.079 0.000 1.330 652 Y CA -0.596 57.553 58.100 0.080 0.000 1.271 652 Y CB -0.238 38.247 38.460 0.041 0.000 1.306 652 Y HN 0.916 nan 8.280 nan 0.000 0.451 653 T N 0.711 115.423 114.554 0.265 0.000 2.770 653 T HA 0.670 5.067 4.350 0.078 0.000 0.281 653 T C -0.940 173.906 174.700 0.244 0.000 0.981 653 T CA -0.519 61.692 62.100 0.184 0.000 0.955 653 T CB 1.676 70.634 68.868 0.150 0.000 1.060 653 T HN 1.077 nan 8.240 nan 0.000 0.531 654 L N 0.887 122.208 121.223 0.164 0.000 2.549 654 L HA 0.396 4.783 4.340 0.078 0.000 0.260 654 L C -0.511 176.459 176.870 0.167 0.000 1.109 654 L CA -0.283 54.649 54.840 0.153 0.000 0.900 654 L CB 1.061 43.169 42.059 0.080 0.000 1.119 654 L HN 0.966 nan 8.230 nan 0.000 0.471 655 E N 3.303 123.602 120.200 0.165 0.000 1.941 655 E HA 0.159 4.556 4.350 0.078 0.000 0.275 655 E C -0.210 176.480 176.600 0.151 0.000 1.113 655 E CA -0.223 56.258 56.400 0.135 0.000 0.878 655 E CB 0.633 30.388 29.700 0.092 0.000 1.070 655 E HN 0.674 nan 8.360 nan 0.000 0.399 656 Q N 3.203 123.091 119.800 0.147 0.000 2.474 656 Q HA -0.004 4.383 4.340 0.078 0.000 0.256 656 Q C -0.804 175.143 176.000 -0.089 0.000 1.048 656 Q CA 0.234 55.989 55.803 -0.079 0.000 0.922 656 Q CB 0.721 29.366 28.738 -0.156 0.000 1.288 656 Q HN 0.441 nan 8.270 nan 0.000 0.484 657 Q N 2.205 121.900 119.800 -0.175 0.000 2.280 657 Q HA 0.217 4.604 4.340 0.078 0.000 0.259 657 Q C -1.055 174.878 176.000 -0.111 0.000 0.964 657 Q CA -0.259 55.488 55.803 -0.094 0.000 0.844 657 Q CB 1.739 30.448 28.738 -0.048 0.000 1.334 657 Q HN 0.876 nan 8.270 nan 0.000 0.423 658 D N 0.812 121.164 120.400 -0.081 0.000 4.100 658 D HA -0.221 4.466 4.640 0.078 0.000 0.138 658 D C 0.438 176.666 176.300 -0.120 0.000 0.819 658 D CA 2.018 55.967 54.000 -0.084 0.000 1.117 658 D CB -0.982 39.779 40.800 -0.065 0.000 0.537 658 D HN 0.710 nan 8.370 nan 0.000 0.539 659 G N -0.328 108.407 108.800 -0.109 0.000 2.420 659 G HA2 0.498 4.504 3.960 0.078 0.000 0.284 659 G HA3 0.498 4.504 3.960 0.078 0.000 0.284 659 G C 0.975 175.811 174.900 -0.107 0.000 1.177 659 G CA 0.458 45.489 45.100 -0.113 0.000 0.841 659 G HN 0.419 nan 8.290 nan 0.000 0.527 660 M N 0.524 120.066 119.600 -0.097 0.000 7.319 660 M HA -0.225 4.302 4.480 0.078 0.000 0.284 660 M C 0.196 176.494 176.300 -0.004 0.000 0.480 660 M CA 1.619 56.900 55.300 -0.032 0.000 1.311 660 M CB -1.265 31.328 32.600 -0.012 0.000 0.421 660 M HN 0.509 nan 8.290 nan 0.000 0.895 661 D N 2.347 122.789 120.400 0.070 0.000 3.110 661 D HA 0.237 4.924 4.640 0.078 0.000 0.254 661 D C -0.052 176.338 176.300 0.151 0.000 1.283 661 D CA 0.180 54.306 54.000 0.210 0.000 0.944 661 D CB -0.035 40.949 40.800 0.305 0.000 1.066 661 D HN 0.161 nan 8.370 nan 0.000 0.496 662 R N 1.018 121.432 120.500 -0.143 0.000 2.407 662 R HA 0.552 4.938 4.340 0.078 0.000 0.303 662 R C -0.508 175.569 176.300 -0.372 0.000 0.981 662 R CA -0.481 55.553 56.100 -0.109 0.000 0.905 662 R CB 1.239 31.481 30.300 -0.096 0.000 1.099 662 R HN 0.124 nan 8.270 nan 0.000 0.459 663 Y N 0.558 120.889 120.300 0.053 0.000 2.818 663 Y HA 0.559 5.155 4.550 0.077 0.000 0.322 663 Y C -0.780 175.144 175.900 0.039 0.000 1.323 663 Y CA -1.142 56.983 58.100 0.042 0.000 1.090 663 Y CB 1.653 40.133 38.460 0.032 0.000 1.328 663 Y HN 0.395 nan 8.280 nan 0.000 0.482 664 L N 1.957 123.327 121.223 0.244 0.000 2.661 664 L HA 0.675 5.061 4.340 0.078 0.000 0.263 664 L C -2.278 174.684 176.870 0.153 0.000 0.956 664 L CA -0.146 54.785 54.840 0.151 0.000 0.918 664 L CB 0.858 42.982 42.059 0.108 0.000 1.280 664 L HN 0.448 nan 8.230 nan 0.000 0.416 665 I N 4.419 125.067 120.570 0.131 0.000 2.740 665 I HA 0.492 4.709 4.170 0.078 0.000 0.303 665 I C -1.278 174.951 176.117 0.187 0.000 1.044 665 I CA -0.578 60.802 61.300 0.133 0.000 1.064 665 I CB 1.987 40.009 38.000 0.037 0.000 1.249 665 I HN 0.582 nan 8.210 nan 0.000 0.433 666 Y N 4.988 125.346 120.300 0.096 0.000 2.426 666 Y HA 0.653 5.252 4.550 0.081 0.000 0.325 666 Y C -1.167 174.823 175.900 0.150 0.000 0.989 666 Y CA -0.979 57.179 58.100 0.097 0.000 1.284 666 Y CB 1.138 39.648 38.460 0.083 0.000 1.104 666 Y HN 0.313 nan 8.280 nan 0.000 0.481 667 V N 5.856 125.590 119.914 -0.300 0.000 2.427 667 V HA 0.045 4.211 4.120 0.078 0.000 0.268 667 V C 0.260 176.142 176.094 -0.354 0.000 1.046 667 V CA -0.456 61.767 62.300 -0.129 0.000 0.970 667 V CB 0.461 32.296 31.823 0.020 0.000 1.001 667 V HN 0.753 nan 8.190 nan 0.000 0.476 668 D N 4.653 124.994 120.400 -0.097 0.000 2.571 668 D HA -0.098 4.589 4.640 0.078 0.000 0.231 668 D C 0.941 177.286 176.300 0.075 0.000 1.133 668 D CA 0.115 54.116 54.000 0.002 0.000 0.862 668 D CB 0.737 41.639 40.800 0.170 0.000 1.179 668 D HN 0.815 nan 8.370 nan 0.000 0.474 669 E N 1.580 121.797 120.200 0.028 0.000 1.999 669 E HA 0.235 4.632 4.350 0.078 0.000 0.296 669 E C -0.509 176.180 176.600 0.148 0.000 1.187 669 E CA -0.550 55.866 56.400 0.026 0.000 1.229 669 E CB -0.209 29.483 29.700 -0.014 0.000 1.131 669 E HN 0.155 nan 8.360 nan 0.000 0.478 670 S N 1.653 117.538 115.700 0.309 0.000 2.597 670 S HA 0.484 5.001 4.470 0.078 0.000 0.274 670 S C -1.433 173.324 174.600 0.262 0.000 1.132 670 S CA -0.858 57.493 58.200 0.252 0.000 0.835 670 S CB 1.355 64.653 63.200 0.163 0.000 1.092 670 S HN 0.494 nan 8.310 nan 0.000 0.457 671 R N 0.597 121.206 120.500 0.181 0.000 2.810 671 R HA 0.622 5.008 4.340 0.078 0.000 0.266 671 R C -1.495 174.887 176.300 0.138 0.000 1.061 671 R CA -0.928 55.241 56.100 0.116 0.000 0.943 671 R CB 1.801 32.137 30.300 0.060 0.000 1.237 671 R HN 0.690 nan 8.270 nan 0.000 0.459 672 E N 0.402 120.703 120.200 0.167 0.000 2.649 672 E HA 0.187 4.583 4.350 0.078 0.000 0.310 672 E C -1.023 175.730 176.600 0.255 0.000 1.036 672 E CA -0.224 56.316 56.400 0.235 0.000 0.772 672 E CB 1.289 31.185 29.700 0.327 0.000 1.513 672 E HN 0.443 nan 8.360 nan 0.000 0.384 673 c N 2.086 120.773 118.600 0.145 0.000 2.693 673 c HA 0.131 4.748 4.570 0.078 0.000 0.286 673 c C 1.531 175.688 174.090 0.113 0.000 1.277 673 c CA -0.229 56.152 56.329 0.086 0.000 1.705 673 c CB -0.820 41.713 42.510 0.040 0.000 1.879 673 c HN 0.653 nan 8.230 nan 0.000 0.607 674 V N 0.000 120.019 119.914 0.175 0.000 2.409 674 V HA 0.000 4.167 4.120 0.078 0.000 0.244 674 V CA 0.000 62.389 62.300 0.149 0.000 1.235 674 V CB 0.000 31.925 31.823 0.170 0.000 1.184 674 V HN 0.000 nan 8.190 nan 0.000 0.556