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 1gge_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.279 176.300 -0.035 0.000 2.045 27 D CA 0.000 53.982 54.000 -0.029 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 28 S N 0.160 115.837 115.700 -0.039 0.000 2.741 28 S HA 0.364 4.863 4.470 0.047 0.000 0.247 28 S C 1.245 175.809 174.600 -0.059 0.000 1.050 28 S CA -0.256 57.918 58.200 -0.043 0.000 1.025 28 S CB -0.318 62.864 63.200 -0.031 0.000 0.897 28 S HN 0.156 nan 8.310 nan 0.000 0.508 29 L N 0.989 122.169 121.223 -0.071 0.000 2.095 29 L HA 0.278 4.647 4.340 0.047 0.000 0.204 29 L C 1.615 178.406 176.870 -0.132 0.000 1.080 29 L CA 0.565 55.356 54.840 -0.082 0.000 0.759 29 L CB -0.830 41.189 42.059 -0.067 0.000 0.914 29 L HN 0.410 nan 8.230 nan 0.000 0.439 30 A N 1.251 123.939 122.820 -0.220 0.000 2.483 30 A HA 0.294 4.642 4.320 0.047 0.000 0.238 30 A C -2.014 175.430 177.584 -0.233 0.000 1.070 30 A CA -0.939 50.843 52.037 -0.424 0.000 0.770 30 A CB -0.656 17.844 19.000 -0.833 0.000 1.008 30 A HN 0.040 nan 8.150 nan 0.000 0.497 31 P HA 0.121 nan 4.420 nan 0.000 0.272 31 P C 0.146 177.441 177.300 -0.007 0.000 1.223 31 P CA -0.042 63.034 63.100 -0.040 0.000 0.784 31 P CB 0.792 32.504 31.700 0.020 0.000 0.923 32 E N 1.226 121.428 120.200 0.003 0.000 2.204 32 E HA -0.182 4.197 4.350 0.047 0.000 0.194 32 E C 1.112 177.736 176.600 0.040 0.000 0.989 32 E CA 1.367 57.777 56.400 0.016 0.000 0.824 32 E CB -0.510 29.194 29.700 0.007 0.000 0.756 32 E HN 0.502 nan 8.360 nan 0.000 0.477 33 D N -1.404 119.024 120.400 0.047 0.000 2.363 33 D HA 0.029 4.698 4.640 0.047 0.000 0.226 33 D C 1.220 177.566 176.300 0.076 0.000 1.020 33 D CA 0.790 54.820 54.000 0.050 0.000 0.892 33 D CB -0.401 40.421 40.800 0.038 0.000 0.900 33 D HN 0.191 nan 8.370 nan 0.000 0.531 34 G N 0.491 109.376 108.800 0.142 0.000 2.168 34 G HA2 -0.359 3.629 3.960 0.047 0.000 0.257 34 G HA3 -0.359 3.629 3.960 0.047 0.000 0.257 34 G C 0.992 175.961 174.900 0.114 0.000 0.997 34 G CA 0.896 46.114 45.100 0.197 0.000 0.708 34 G HN 0.700 nan 8.290 nan 0.000 0.520 35 S N 0.340 116.126 115.700 0.142 0.000 2.603 35 S HA -0.016 4.482 4.470 0.047 0.000 0.229 35 S C 1.833 176.484 174.600 0.086 0.000 0.972 35 S CA 1.097 59.340 58.200 0.073 0.000 0.935 35 S CB -0.485 62.752 63.200 0.062 0.000 0.769 35 S HN 0.935 nan 8.310 nan 0.000 0.536 36 H N 0.736 119.814 119.070 0.012 0.000 2.535 36 H HA 0.309 4.892 4.556 0.046 0.000 0.273 36 H C 0.754 176.094 175.328 0.020 0.000 0.983 36 H CA 0.037 56.093 56.048 0.014 0.000 1.238 36 H CB -0.247 29.523 29.762 0.012 0.000 1.412 36 H HN 0.348 nan 8.280 nan 0.000 0.562 37 R N 2.480 122.645 120.500 -0.558 0.000 2.255 37 R HA 0.342 4.710 4.340 0.047 0.000 0.326 37 R C -2.646 173.560 176.300 -0.156 0.000 0.986 37 R CA -1.981 53.891 56.100 -0.381 0.000 0.847 37 R CB 0.973 30.976 30.300 -0.496 0.000 1.111 37 R HN 0.081 nan 8.270 nan 0.000 0.452 38 P HA 0.120 nan 4.420 nan 0.000 0.271 38 P C -0.957 176.334 177.300 -0.015 0.000 1.216 38 P CA -0.343 62.746 63.100 -0.018 0.000 0.771 38 P CB 1.148 32.864 31.700 0.026 0.000 0.864 39 A N 3.181 125.997 122.820 -0.008 0.000 2.565 39 A HA 0.323 4.672 4.320 0.047 0.000 0.237 39 A C 0.953 178.545 177.584 0.014 0.000 1.053 39 A CA 0.262 52.298 52.037 -0.001 0.000 0.755 39 A CB -0.474 18.528 19.000 0.004 0.000 0.980 39 A HN 0.590 nan 8.150 nan 0.000 0.506 40 A N 3.392 126.219 122.820 0.013 0.000 3.118 40 A HA 0.512 4.860 4.320 0.047 0.000 0.256 40 A C 0.325 177.925 177.584 0.026 0.000 1.667 40 A CA 0.137 52.188 52.037 0.023 0.000 1.338 40 A CB -0.794 18.218 19.000 0.019 0.000 1.127 40 A HN 0.919 nan 8.150 nan 0.000 0.634 41 E N -0.649 119.569 120.200 0.030 0.000 2.407 41 E HA 0.450 4.828 4.350 0.047 0.000 0.279 41 E C -3.284 173.336 176.600 0.034 0.000 1.012 41 E CA -2.481 53.938 56.400 0.032 0.000 0.800 41 E CB 0.613 30.327 29.700 0.023 0.000 1.276 41 E HN 0.041 nan 8.360 nan 0.000 0.452 42 P HA 0.057 nan 4.420 nan 0.000 0.262 42 P C -0.783 176.523 177.300 0.010 0.000 1.199 42 P CA 0.412 63.525 63.100 0.022 0.000 0.763 42 P CB 0.350 32.053 31.700 0.005 0.000 0.790 43 T N 1.429 115.986 114.554 0.005 0.000 2.909 43 T HA 0.619 4.997 4.350 0.047 0.000 0.299 43 T C -2.944 171.730 174.700 -0.044 0.000 1.073 43 T CA -2.747 59.350 62.100 -0.006 0.000 0.999 43 T CB 1.734 70.604 68.868 0.003 0.000 1.098 43 T HN 0.041 nan 8.240 nan 0.000 0.477 44 P HA 0.315 nan 4.420 nan 0.000 0.272 44 P C -2.734 174.426 177.300 -0.233 0.000 1.230 44 P CA -1.501 61.453 63.100 -0.244 0.000 0.788 44 P CB -0.990 30.611 31.700 -0.166 0.000 0.949 45 P HA 0.035 nan 4.420 nan 0.000 0.262 45 P C 1.102 178.347 177.300 -0.092 0.000 1.182 45 P CA 1.420 64.412 63.100 -0.179 0.000 0.761 45 P CB -0.320 31.269 31.700 -0.184 0.000 0.795 46 G N 2.845 111.625 108.800 -0.034 0.000 2.225 46 G HA2 -0.341 3.647 3.960 0.047 0.000 0.254 46 G HA3 -0.341 3.647 3.960 0.047 0.000 0.254 46 G C 1.126 176.022 174.900 -0.007 0.000 0.988 46 G CA 0.400 45.494 45.100 -0.010 0.000 0.625 46 G HN 0.682 nan 8.290 nan 0.000 0.527 47 A N -1.173 121.638 122.820 -0.015 0.000 2.016 47 A HA 0.443 4.791 4.320 0.047 0.000 0.217 47 A C 1.307 178.893 177.584 0.004 0.000 1.162 47 A CA 1.979 54.013 52.037 -0.005 0.000 0.662 47 A CB 0.022 19.016 19.000 -0.010 0.000 0.812 47 A HN 0.501 nan 8.150 nan 0.000 0.450 48 Q N -1.108 118.698 119.800 0.010 0.000 2.456 48 Q HA 0.425 4.793 4.340 0.047 0.000 0.284 48 Q C -3.024 172.992 176.000 0.027 0.000 1.061 48 Q CA -1.986 53.827 55.803 0.017 0.000 0.799 48 Q CB 1.075 29.826 28.738 0.022 0.000 1.445 48 Q HN 0.056 nan 8.270 nan 0.000 0.411 49 P HA 0.065 nan 4.420 nan 0.000 0.271 49 P C -0.223 177.111 177.300 0.058 0.000 1.216 49 P CA 0.002 63.120 63.100 0.029 0.000 0.776 49 P CB 0.240 31.955 31.700 0.024 0.000 0.881 50 T N -0.516 114.075 114.554 0.063 0.000 2.860 50 T HA 0.586 4.964 4.350 0.047 0.000 0.299 50 T C 0.016 174.811 174.700 0.159 0.000 1.045 50 T CA -0.487 61.704 62.100 0.151 0.000 1.071 50 T CB 0.593 69.506 68.868 0.075 0.000 0.985 50 T HN 0.571 nan 8.240 nan 0.000 0.537 51 A N 1.889 124.898 122.820 0.314 0.000 2.594 51 A HA 0.789 5.137 4.320 0.047 0.000 0.291 51 A C -3.011 174.834 177.584 0.435 0.000 1.105 51 A CA -2.111 50.085 52.037 0.265 0.000 0.694 51 A CB 0.707 19.815 19.000 0.179 0.000 1.291 51 A HN 0.669 nan 8.150 nan 0.000 0.410 52 P HA 0.111 nan 4.420 nan 0.000 0.265 52 P C 1.234 178.691 177.300 0.262 0.000 1.187 52 P CA 0.933 64.252 63.100 0.366 0.000 0.766 52 P CB 0.511 32.347 31.700 0.227 0.000 0.820 53 G N 2.504 111.428 108.800 0.206 0.000 2.476 53 G HA2 -0.317 3.672 3.960 0.047 0.000 0.218 53 G HA3 -0.317 3.672 3.960 0.047 0.000 0.218 53 G C 1.552 176.471 174.900 0.033 0.000 1.164 53 G CA 1.220 46.346 45.100 0.043 0.000 0.768 53 G HN 0.600 nan 8.290 nan 0.000 0.560 54 S N -0.080 115.643 115.700 0.038 0.000 2.481 54 S HA 0.167 4.665 4.470 0.047 0.000 0.231 54 S C 2.200 176.819 174.600 0.033 0.000 0.996 54 S CA 0.731 58.939 58.200 0.013 0.000 0.942 54 S CB -0.136 63.064 63.200 -0.001 0.000 0.768 54 S HN 0.322 nan 8.310 nan 0.000 0.520 55 L N -0.076 121.184 121.223 0.061 0.000 2.253 55 L HA 0.244 4.613 4.340 0.047 0.000 0.205 55 L C 2.683 179.587 176.870 0.056 0.000 1.078 55 L CA 0.847 55.722 54.840 0.059 0.000 0.805 55 L CB -0.354 41.750 42.059 0.075 0.000 0.963 55 L HN 0.258 nan 8.230 nan 0.000 0.459 56 K N 1.506 121.951 120.400 0.074 0.000 2.062 56 K HA 0.002 4.350 4.320 0.047 0.000 0.205 56 K C 0.692 177.321 176.600 0.049 0.000 1.051 56 K CA 1.387 57.718 56.287 0.072 0.000 0.941 56 K CB 0.070 32.630 32.500 0.100 0.000 0.719 56 K HN 0.151 nan 8.250 nan 0.000 0.440 57 A N 0.786 123.627 122.820 0.035 0.000 3.216 57 A HA 0.354 4.702 4.320 0.047 0.000 0.321 57 A C -2.201 175.387 177.584 0.007 0.000 1.042 57 A CA -1.029 51.024 52.037 0.027 0.000 0.838 57 A CB 0.695 19.713 19.000 0.031 0.000 1.136 57 A HN 0.164 nan 8.150 nan 0.000 0.483 58 P HA -0.112 nan 4.420 nan 0.000 0.221 58 P C 0.211 177.505 177.300 -0.010 0.000 1.150 58 P CA 1.127 64.227 63.100 -0.001 0.000 0.800 58 P CB 0.331 32.035 31.700 0.007 0.000 0.787 59 D N -0.744 119.654 120.400 -0.003 0.000 2.349 59 D HA 0.007 4.675 4.640 0.047 0.000 0.215 59 D C 0.433 176.719 176.300 -0.023 0.000 1.016 59 D CA 0.593 54.587 54.000 -0.010 0.000 0.870 59 D CB -0.364 40.437 40.800 0.002 0.000 0.917 59 D HN 0.151 nan 8.370 nan 0.000 0.524 60 T N 2.746 117.283 114.554 -0.028 0.000 2.870 60 T HA 0.262 4.640 4.350 0.047 0.000 0.300 60 T C 0.620 175.273 174.700 -0.078 0.000 0.989 60 T CA -0.244 61.823 62.100 -0.056 0.000 1.139 60 T CB 1.192 70.022 68.868 -0.064 0.000 0.920 60 T HN 0.138 nan 8.240 nan 0.000 0.537 61 R N 1.706 122.149 120.500 -0.094 0.000 2.764 61 R HA 0.582 4.950 4.340 0.047 0.000 0.270 61 R C -1.544 174.690 176.300 -0.110 0.000 1.014 61 R CA -0.980 55.060 56.100 -0.100 0.000 0.904 61 R CB 1.104 31.354 30.300 -0.083 0.000 1.236 61 R HN 0.748 nan 8.270 nan 0.000 0.466 62 N N -1.595 117.045 118.700 -0.100 0.000 2.934 62 N HA 0.118 4.886 4.740 0.047 0.000 0.253 62 N C 0.091 175.555 175.510 -0.077 0.000 1.466 62 N CA -0.618 52.386 53.050 -0.078 0.000 0.858 62 N CB 0.841 39.312 38.487 -0.026 0.000 1.459 62 N HN 0.719 nan 8.380 nan 0.000 0.532 63 E N -0.253 119.917 120.200 -0.050 0.000 2.118 63 E HA -0.277 4.101 4.350 0.047 0.000 0.195 63 E C 1.060 177.592 176.600 -0.113 0.000 0.992 63 E CA 1.465 57.831 56.400 -0.057 0.000 0.804 63 E CB 0.087 29.779 29.700 -0.013 0.000 0.741 63 E HN 0.503 nan 8.360 nan 0.000 0.458 64 K N 0.748 121.046 120.400 -0.170 0.000 2.031 64 K HA -0.076 4.272 4.320 0.047 0.000 0.205 64 K C 2.115 178.554 176.600 -0.267 0.000 1.049 64 K CA 1.133 57.225 56.287 -0.324 0.000 0.939 64 K CB -0.429 31.713 32.500 -0.597 0.000 0.717 64 K HN 0.178 nan 8.250 nan 0.000 0.438 65 L N 0.955 122.037 121.223 -0.235 0.000 2.079 65 L HA -0.211 4.157 4.340 0.047 0.000 0.210 65 L C 1.763 178.523 176.870 -0.183 0.000 1.081 65 L CA 1.274 55.953 54.840 -0.268 0.000 0.752 65 L CB -0.593 41.302 42.059 -0.273 0.000 0.896 65 L HN 0.269 nan 8.230 nan 0.000 0.433 66 N N -0.427 118.190 118.700 -0.139 0.000 2.188 66 N HA -0.142 4.626 4.740 0.047 0.000 0.184 66 N C 2.040 177.492 175.510 -0.097 0.000 1.018 66 N CA 1.584 54.573 53.050 -0.101 0.000 0.858 66 N CB -0.414 38.026 38.487 -0.078 0.000 0.989 66 N HN 0.354 nan 8.380 nan 0.000 0.426 67 S N 0.225 115.857 115.700 -0.113 0.000 2.481 67 S HA 0.061 4.559 4.470 0.047 0.000 0.231 67 S C 1.749 176.286 174.600 -0.105 0.000 0.996 67 S CA 0.320 58.460 58.200 -0.100 0.000 0.942 67 S CB -0.412 62.724 63.200 -0.108 0.000 0.768 67 S HN 0.225 nan 8.310 nan 0.000 0.520 68 L N 0.730 121.877 121.223 -0.127 0.000 2.554 68 L HA 0.208 4.576 4.340 0.047 0.000 0.226 68 L C 2.619 179.440 176.870 -0.081 0.000 1.137 68 L CA 0.565 55.338 54.840 -0.113 0.000 0.863 68 L CB -0.352 41.622 42.059 -0.142 0.000 0.985 68 L HN 0.279 nan 8.230 nan 0.000 0.451 69 E N 1.245 121.400 120.200 -0.075 0.000 2.160 69 E HA -0.264 4.114 4.350 0.047 0.000 0.195 69 E C 1.591 178.168 176.600 -0.037 0.000 0.991 69 E CA 1.623 57.991 56.400 -0.052 0.000 0.810 69 E CB -0.042 29.630 29.700 -0.047 0.000 0.742 69 E HN 0.589 nan 8.360 nan 0.000 0.466 70 D N -0.694 119.683 120.400 -0.039 0.000 2.310 70 D HA -0.132 4.536 4.640 0.047 0.000 0.212 70 D C 1.605 177.889 176.300 -0.026 0.000 0.965 70 D CA 1.326 55.309 54.000 -0.029 0.000 0.879 70 D CB -0.304 40.478 40.800 -0.029 0.000 0.921 70 D HN 0.293 nan 8.370 nan 0.000 0.510 71 V N -3.672 116.224 119.914 -0.029 0.000 3.528 71 V HA 0.328 4.476 4.120 0.047 0.000 0.294 71 V C 0.776 176.860 176.094 -0.016 0.000 1.404 71 V CA -0.696 61.591 62.300 -0.021 0.000 1.065 71 V CB -0.545 31.266 31.823 -0.020 0.000 0.904 71 V HN -0.151 nan 8.190 nan 0.000 0.435 72 R N 2.142 122.630 120.500 -0.019 0.000 2.537 72 R HA 0.436 4.804 4.340 0.047 0.000 0.280 72 R C -0.441 175.854 176.300 -0.008 0.000 1.058 72 R CA 0.194 56.289 56.100 -0.007 0.000 1.057 72 R CB 0.585 30.881 30.300 -0.007 0.000 0.973 72 R HN 0.460 nan 8.270 nan 0.000 0.438 73 K N 1.113 121.511 120.400 -0.003 0.000 2.292 73 K HA 0.309 4.657 4.320 0.047 0.000 0.257 73 K C 0.235 176.838 176.600 0.006 0.000 0.940 73 K CA -0.565 55.707 56.287 -0.026 0.000 0.811 73 K CB 2.325 34.796 32.500 -0.048 0.000 1.120 73 K HN 0.691 nan 8.250 nan 0.000 0.428 74 G N 0.312 109.124 108.800 0.020 0.000 2.546 74 G HA2 0.231 4.220 3.960 0.047 0.000 0.239 74 G HA3 0.231 4.220 3.960 0.047 0.000 0.239 74 G C 0.560 175.534 174.900 0.124 0.000 1.476 74 G CA 0.313 45.477 45.100 0.108 0.000 1.064 74 G HN 0.660 nan 8.290 nan 0.000 0.561 75 S N -2.846 113.008 115.700 0.255 0.000 2.323 75 S HA 0.093 4.591 4.470 0.047 0.000 0.233 75 S C 0.214 174.981 174.600 0.278 0.000 0.898 75 S CA -0.082 58.273 58.200 0.259 0.000 1.321 75 S CB -0.079 63.201 63.200 0.132 0.000 0.921 75 S HN 0.487 nan 8.310 nan 0.000 0.398 76 E N 2.953 123.253 120.200 0.167 0.000 2.480 76 E HA 0.236 4.614 4.350 0.047 0.000 0.258 76 E C -0.203 176.351 176.600 -0.077 0.000 0.984 76 E CA 0.340 56.774 56.400 0.056 0.000 0.930 76 E CB 0.050 29.772 29.700 0.036 0.000 0.936 76 E HN 0.407 nan 8.360 nan 0.000 0.466 77 N N 0.925 119.574 118.700 -0.085 0.000 2.909 77 N HA -0.216 4.553 4.740 0.047 0.000 0.242 77 N C -1.071 174.292 175.510 -0.245 0.000 0.975 77 N CA 1.100 54.044 53.050 -0.177 0.000 0.921 77 N CB -1.271 37.064 38.487 -0.253 0.000 1.112 77 N HN 0.383 nan 8.380 nan 0.000 0.581 78 Y N 0.671 120.977 120.300 0.011 0.000 2.376 78 Y HA 0.626 5.205 4.550 0.048 0.000 0.325 78 Y C 0.988 176.892 175.900 0.006 0.000 1.199 78 Y CA -0.376 57.730 58.100 0.009 0.000 1.206 78 Y CB 0.945 39.411 38.460 0.010 0.000 1.229 78 Y HN 0.109 nan 8.280 nan 0.000 0.480 79 A N 2.247 125.180 122.820 0.188 0.000 2.371 79 A HA 0.424 4.772 4.320 0.047 0.000 0.257 79 A C -0.825 176.812 177.584 0.087 0.000 1.089 79 A CA -0.553 51.545 52.037 0.102 0.000 0.794 79 A CB 0.131 19.178 19.000 0.078 0.000 1.029 79 A HN 0.706 nan 8.150 nan 0.000 0.488 80 L N 2.869 124.123 121.223 0.052 0.000 2.410 80 L HA 0.489 4.857 4.340 0.047 0.000 0.273 80 L C 0.669 177.552 176.870 0.021 0.000 1.144 80 L CA 1.112 55.969 54.840 0.029 0.000 0.863 80 L CB 0.247 42.313 42.059 0.013 0.000 1.140 80 L HN 0.912 nan 8.230 nan 0.000 0.463 81 T N 0.495 115.057 114.554 0.013 0.000 2.864 81 T HA 0.705 5.083 4.350 0.047 0.000 0.289 81 T C 0.232 174.938 174.700 0.010 0.000 1.082 81 T CA -0.155 61.955 62.100 0.017 0.000 1.009 81 T CB 1.085 69.965 68.868 0.020 0.000 1.234 81 T HN 0.760 nan 8.240 nan 0.000 0.526 82 T N 0.090 114.665 114.554 0.034 0.000 2.732 82 T HA 0.274 4.652 4.350 0.047 0.000 0.287 82 T C 1.031 175.750 174.700 0.032 0.000 0.993 82 T CA -0.636 61.492 62.100 0.047 0.000 0.966 82 T CB -0.011 68.929 68.868 0.120 0.000 1.047 82 T HN 0.557 nan 8.240 nan 0.000 0.527 83 N N 0.392 119.113 118.700 0.035 0.000 2.520 83 N HA -0.060 4.708 4.740 0.047 0.000 0.185 83 N C 1.535 177.065 175.510 0.034 0.000 1.068 83 N CA 0.535 53.599 53.050 0.022 0.000 0.911 83 N CB -0.172 38.336 38.487 0.036 0.000 0.961 83 N HN 0.537 nan 8.380 nan 0.000 0.446 84 Q N -0.540 119.292 119.800 0.053 0.000 2.360 84 Q HA 0.188 4.556 4.340 0.047 0.000 0.202 84 Q C 0.807 176.829 176.000 0.037 0.000 0.915 84 Q CA 0.185 56.014 55.803 0.043 0.000 0.943 84 Q CB 0.411 29.179 28.738 0.049 0.000 1.064 84 Q HN 0.401 nan 8.270 nan 0.000 0.511 85 G N 0.416 109.238 108.800 0.036 0.000 2.141 85 G HA2 -0.231 3.757 3.960 0.047 0.000 0.242 85 G HA3 -0.231 3.757 3.960 0.047 0.000 0.242 85 G C 0.068 174.996 174.900 0.046 0.000 0.982 85 G CA 0.136 45.253 45.100 0.029 0.000 0.662 85 G HN 0.213 nan 8.290 nan 0.000 0.527 86 V N 1.622 121.579 119.914 0.073 0.000 2.461 86 V HA 0.382 4.531 4.120 0.047 0.000 0.275 86 V C 1.300 177.436 176.094 0.070 0.000 1.047 86 V CA -0.600 61.755 62.300 0.092 0.000 0.955 86 V CB 1.125 33.049 31.823 0.168 0.000 0.988 86 V HN 0.410 nan 8.190 nan 0.000 0.471 87 R N 4.217 124.751 120.500 0.056 0.000 2.590 87 R HA 0.381 4.749 4.340 0.047 0.000 0.274 87 R C -0.538 175.779 176.300 0.027 0.000 1.061 87 R CA -0.052 56.072 56.100 0.039 0.000 1.081 87 R CB 0.533 30.855 30.300 0.037 0.000 0.984 87 R HN 0.574 nan 8.270 nan 0.000 0.448 88 I N 1.709 122.283 120.570 0.007 0.000 2.392 88 I HA 0.155 4.353 4.170 0.047 0.000 0.295 88 I C 0.865 176.972 176.117 -0.016 0.000 0.985 88 I CA -0.033 61.255 61.300 -0.020 0.000 1.221 88 I CB 1.953 39.932 38.000 -0.036 0.000 1.366 88 I HN 0.767 nan 8.210 nan 0.000 0.467 89 A N 3.763 126.569 122.820 -0.024 0.000 1.924 89 A HA 0.036 4.384 4.320 0.047 0.000 0.211 89 A C 0.616 178.185 177.584 -0.025 0.000 1.198 89 A CA 0.836 52.863 52.037 -0.017 0.000 0.657 89 A CB 0.072 19.064 19.000 -0.013 0.000 0.852 89 A HN 0.677 nan 8.150 nan 0.000 0.454 90 D N -0.435 119.941 120.400 -0.038 0.000 2.440 90 D HA 0.330 4.998 4.640 0.047 0.000 0.252 90 D C -1.291 174.978 176.300 -0.051 0.000 1.180 90 D CA -0.356 53.620 54.000 -0.040 0.000 0.894 90 D CB 1.162 41.938 40.800 -0.039 0.000 1.111 90 D HN 0.062 nan 8.370 nan 0.000 0.544 91 D N 2.012 122.386 120.400 -0.044 0.000 2.395 91 D HA 0.049 4.717 4.640 0.047 0.000 0.226 91 D C 0.634 176.905 176.300 -0.049 0.000 1.146 91 D CA 0.265 54.236 54.000 -0.049 0.000 0.830 91 D CB 0.494 41.270 40.800 -0.040 0.000 0.958 91 D HN 0.222 nan 8.370 nan 0.000 0.501 92 Q N -0.639 119.134 119.800 -0.046 0.000 2.280 92 Q HA 0.269 4.637 4.340 0.047 0.000 0.228 92 Q C -0.129 175.843 176.000 -0.048 0.000 0.857 92 Q CA 0.198 55.974 55.803 -0.045 0.000 0.939 92 Q CB 0.774 29.490 28.738 -0.036 0.000 1.114 92 Q HN 0.197 nan 8.270 nan 0.000 0.514 93 N N -0.080 118.589 118.700 -0.051 0.000 2.329 93 N HA 0.330 5.098 4.740 0.047 0.000 0.282 93 N C -0.996 174.479 175.510 -0.058 0.000 1.198 93 N CA -0.271 52.749 53.050 -0.050 0.000 0.790 93 N CB 2.106 40.569 38.487 -0.041 0.000 1.579 93 N HN -0.188 nan 8.380 nan 0.000 0.475 94 S N 0.648 116.316 115.700 -0.052 0.000 2.632 94 S HA 0.349 4.847 4.470 0.047 0.000 0.271 94 S C 0.049 174.621 174.600 -0.046 0.000 1.260 94 S CA -0.594 57.574 58.200 -0.053 0.000 1.010 94 S CB 0.888 64.062 63.200 -0.043 0.000 0.965 94 S HN 0.400 nan 8.310 nan 0.000 0.534 95 L N 3.446 124.641 121.223 -0.047 0.000 2.313 95 L HA 0.423 4.792 4.340 0.047 0.000 0.282 95 L C 0.049 176.908 176.870 -0.019 0.000 1.092 95 L CA 0.308 55.128 54.840 -0.033 0.000 0.831 95 L CB -0.098 41.941 42.059 -0.033 0.000 1.159 95 L HN 0.711 nan 8.230 nan 0.000 0.442 96 R N 4.218 124.709 120.500 -0.014 0.000 2.867 96 R HA 0.861 5.229 4.340 0.047 0.000 0.268 96 R C -1.067 175.230 176.300 -0.004 0.000 1.014 96 R CA -0.863 55.232 56.100 -0.009 0.000 0.946 96 R CB 1.156 31.449 30.300 -0.012 0.000 1.208 96 R HN 0.572 nan 8.270 nan 0.000 0.477 97 A N 1.235 124.054 122.820 -0.002 0.000 2.666 97 A HA 0.576 4.925 4.320 0.047 0.000 0.312 97 A C 0.557 178.140 177.584 -0.002 0.000 1.471 97 A CA 0.297 52.334 52.037 0.000 0.000 1.134 97 A CB -0.947 18.054 19.000 0.003 0.000 1.129 97 A HN 1.203 nan 8.150 nan 0.000 0.539 98 G N 1.063 109.861 108.800 -0.003 0.000 2.692 98 G HA2 0.051 4.040 3.960 0.047 0.000 0.686 98 G HA3 0.051 4.040 3.960 0.047 0.000 0.686 98 G C 0.651 175.547 174.900 -0.007 0.000 1.243 98 G CA 0.093 45.190 45.100 -0.004 0.000 0.782 98 G HN 1.792 nan 8.290 nan 0.000 0.625 99 S N -0.102 115.593 115.700 -0.008 0.000 2.507 99 S HA -0.015 4.483 4.470 0.047 0.000 0.235 99 S C 1.514 176.107 174.600 -0.011 0.000 0.988 99 S CA 1.469 59.663 58.200 -0.010 0.000 0.944 99 S CB 0.056 63.250 63.200 -0.011 0.000 0.762 99 S HN 0.754 nan 8.310 nan 0.000 0.526 100 R N 0.664 121.159 120.500 -0.009 0.000 2.629 100 R HA 0.344 4.712 4.340 0.047 0.000 0.386 100 R C 0.818 177.114 176.300 -0.008 0.000 1.071 100 R CA 0.033 56.127 56.100 -0.009 0.000 1.104 100 R CB 0.917 31.212 30.300 -0.008 0.000 1.370 100 R HN 0.426 nan 8.270 nan 0.000 0.574 101 G N 1.575 110.371 108.800 -0.007 0.000 2.557 101 G HA2 0.403 4.391 3.960 0.047 0.000 0.302 101 G HA3 0.403 4.391 3.960 0.047 0.000 0.302 101 G C -2.420 172.477 174.900 -0.006 0.000 1.311 101 G CA -1.175 43.922 45.100 -0.005 0.000 1.030 101 G HN -0.118 nan 8.290 nan 0.000 0.509 102 P HA 0.199 nan 4.420 nan 0.000 0.271 102 P C -0.108 177.190 177.300 -0.003 0.000 1.218 102 P CA -0.020 63.078 63.100 -0.003 0.000 0.780 102 P CB 0.690 32.390 31.700 0.001 0.000 0.901 103 T N 2.808 117.360 114.554 -0.004 0.000 2.919 103 T HA 0.260 4.638 4.350 0.047 0.000 0.302 103 T C 0.516 175.218 174.700 0.002 0.000 1.031 103 T CA -0.134 61.963 62.100 -0.005 0.000 1.127 103 T CB 0.007 68.869 68.868 -0.009 0.000 0.952 103 T HN 0.183 nan 8.240 nan 0.000 0.540 104 L N 3.432 124.658 121.223 0.005 0.000 2.357 104 L HA 0.324 4.693 4.340 0.047 0.000 0.273 104 L C 1.408 178.293 176.870 0.024 0.000 1.080 104 L CA -0.787 54.062 54.840 0.015 0.000 0.803 104 L CB 0.778 42.848 42.059 0.018 0.000 1.174 104 L HN 0.505 nan 8.230 nan 0.000 0.443 105 L N 2.026 123.267 121.223 0.031 0.000 2.191 105 L HA -0.172 4.196 4.340 0.047 0.000 0.212 105 L C 2.276 179.184 176.870 0.064 0.000 1.103 105 L CA 1.585 56.450 54.840 0.042 0.000 0.769 105 L CB -0.582 41.499 42.059 0.037 0.000 0.908 105 L HN 0.789 nan 8.230 nan 0.000 0.438 106 E N -1.552 118.690 120.200 0.070 0.000 2.516 106 E HA -0.162 4.216 4.350 0.047 0.000 0.199 106 E C 0.165 176.859 176.600 0.157 0.000 1.069 106 E CA 0.162 56.631 56.400 0.116 0.000 0.876 106 E CB -0.510 29.252 29.700 0.104 0.000 0.843 106 E HN 0.355 nan 8.360 nan 0.000 0.530 107 D N 1.249 121.695 120.400 0.077 0.000 2.455 107 D HA -0.048 4.620 4.640 0.047 0.000 0.234 107 D C 0.478 176.787 176.300 0.015 0.000 1.224 107 D CA -0.443 53.555 54.000 -0.005 0.000 0.999 107 D CB -0.169 40.605 40.800 -0.043 0.000 1.072 107 D HN 0.303 nan 8.370 nan 0.000 0.514 108 F N 2.022 121.980 119.950 0.014 0.000 2.325 108 F HA 0.063 4.616 4.527 0.042 0.000 0.299 108 F C 1.675 177.487 175.800 0.021 0.000 1.090 108 F CA 0.163 58.174 58.000 0.019 0.000 1.392 108 F CB -0.636 38.375 39.000 0.018 0.000 1.053 108 F HN 0.179 nan 8.300 nan 0.000 0.521 109 I N 0.543 120.744 120.570 -0.615 0.000 2.202 109 I HA -0.213 3.985 4.170 0.047 0.000 0.242 109 I C 2.507 178.531 176.117 -0.154 0.000 1.091 109 I CA 1.230 62.290 61.300 -0.400 0.000 1.368 109 I CB -0.521 37.175 38.000 -0.506 0.000 1.058 109 I HN 0.297 nan 8.210 nan 0.000 0.410 110 L N 1.071 122.211 121.223 -0.138 0.000 1.994 110 L HA -0.181 4.187 4.340 0.047 0.000 0.208 110 L C 2.657 179.522 176.870 -0.008 0.000 1.071 110 L CA 1.810 56.611 54.840 -0.066 0.000 0.745 110 L CB -0.533 41.490 42.059 -0.060 0.000 0.892 110 L HN 0.032 nan 8.230 nan 0.000 0.431 111 R N -0.501 120.012 120.500 0.023 0.000 2.096 111 R HA -0.186 4.182 4.340 0.047 0.000 0.235 111 R C 2.325 178.683 176.300 0.097 0.000 1.127 111 R CA 1.628 57.768 56.100 0.068 0.000 0.968 111 R CB -0.408 29.945 30.300 0.089 0.000 0.861 111 R HN 0.593 nan 8.270 nan 0.000 0.440 112 E N 1.143 121.406 120.200 0.106 0.000 2.031 112 E HA -0.247 4.132 4.350 0.047 0.000 0.193 112 E C 1.966 178.646 176.600 0.134 0.000 0.994 112 E CA 1.325 57.804 56.400 0.132 0.000 0.800 112 E CB 0.083 29.863 29.700 0.134 0.000 0.752 112 E HN 0.142 nan 8.360 nan 0.000 0.447 113 K N 0.295 120.744 120.400 0.082 0.000 2.032 113 K HA -0.166 4.182 4.320 0.047 0.000 0.209 113 K C 2.124 178.804 176.600 0.132 0.000 1.048 113 K CA 1.611 57.947 56.287 0.081 0.000 0.927 113 K CB -0.076 32.431 32.500 0.011 0.000 0.712 113 K HN 0.172 nan 8.250 nan 0.000 0.441 114 I N 1.121 121.749 120.570 0.096 0.000 2.353 114 I HA -0.175 4.023 4.170 0.047 0.000 0.248 114 I C 2.140 178.370 176.117 0.189 0.000 1.119 114 I CA 1.250 62.624 61.300 0.124 0.000 1.417 114 I CB -1.435 36.596 38.000 0.050 0.000 1.078 114 I HN 0.246 nan 8.210 nan 0.000 0.421 115 T N -0.155 114.502 114.554 0.172 0.000 2.684 115 T HA -0.235 4.143 4.350 0.047 0.000 0.267 115 T C 1.966 176.809 174.700 0.239 0.000 1.036 115 T CA 1.503 63.728 62.100 0.208 0.000 1.148 115 T CB -0.465 68.529 68.868 0.209 0.000 0.863 115 T HN 0.351 nan 8.240 nan 0.000 0.436 116 H N -0.176 118.991 119.070 0.161 0.000 2.353 116 H HA -0.078 4.503 4.556 0.041 0.000 0.300 116 H C 2.211 177.593 175.328 0.090 0.000 1.090 116 H CA 1.664 57.789 56.048 0.127 0.000 1.327 116 H CB -0.431 29.387 29.762 0.094 0.000 1.383 116 H HN 0.405 nan 8.280 nan 0.000 0.508 117 F N 2.026 122.042 119.950 0.110 0.000 2.095 117 F HA -0.206 4.267 4.527 -0.089 0.000 0.298 117 F C 2.036 177.785 175.800 -0.084 0.000 1.104 117 F CA 1.786 59.796 58.000 0.017 0.000 1.232 117 F CB -0.333 38.671 39.000 0.006 0.000 0.987 117 F HN 0.059 nan 8.300 nan 0.000 0.475 118 D N -1.078 119.263 120.400 -0.099 0.000 2.265 118 D HA -0.157 4.512 4.640 0.047 0.000 0.208 118 D C 1.095 177.008 176.300 -0.646 0.000 0.977 118 D CA 1.280 55.054 54.000 -0.376 0.000 0.871 118 D CB -0.370 40.200 40.800 -0.384 0.000 0.925 118 D HN 0.498 nan 8.370 nan 0.000 0.485 119 H N -0.419 118.534 119.070 -0.197 0.000 2.492 119 H HA 0.239 4.878 4.556 0.139 0.000 0.264 119 H C 0.824 175.983 175.328 -0.282 0.000 1.150 119 H CA -0.088 55.838 56.048 -0.203 0.000 0.962 119 H CB 0.449 30.112 29.762 -0.165 0.000 1.766 119 H HN 0.261 nan 8.280 nan 0.000 0.589 120 E N 0.634 120.662 120.200 -0.287 0.000 2.158 120 E HA -0.012 4.366 4.350 0.047 0.000 0.191 120 E C 0.512 176.945 176.600 -0.278 0.000 0.982 120 E CA 0.387 56.587 56.400 -0.334 0.000 0.823 120 E CB 0.509 29.983 29.700 -0.378 0.000 0.766 120 E HN 0.162 nan 8.360 nan 0.000 0.468 121 R N 1.449 121.846 120.500 -0.170 0.000 2.410 121 R HA 0.336 4.705 4.340 0.047 0.000 0.288 121 R C 0.427 176.757 176.300 0.049 0.000 1.051 121 R CA -0.194 55.880 56.100 -0.044 0.000 1.021 121 R CB 0.665 30.935 30.300 -0.051 0.000 1.032 121 R HN 0.166 nan 8.270 nan 0.000 0.481 122 I N -0.917 119.747 120.570 0.156 0.000 2.797 122 I HA 0.564 4.762 4.170 0.047 0.000 0.307 122 I C -2.233 173.944 176.117 0.099 0.000 1.033 122 I CA -3.022 58.361 61.300 0.138 0.000 1.071 122 I CB 1.751 39.867 38.000 0.193 0.000 1.255 122 I HN 0.239 nan 8.210 nan 0.000 0.445 123 P HA 0.047 nan 4.420 nan 0.000 0.264 123 P C -0.839 176.491 177.300 0.050 0.000 1.183 123 P CA 0.069 63.195 63.100 0.044 0.000 0.763 123 P CB 0.366 32.081 31.700 0.025 0.000 0.807 124 E N 2.830 123.062 120.200 0.053 0.000 2.371 124 E HA 0.221 4.599 4.350 0.047 0.000 0.257 124 E C -0.441 176.188 176.600 0.048 0.000 1.134 124 E CA -0.910 55.528 56.400 0.063 0.000 0.919 124 E CB 0.658 30.400 29.700 0.070 0.000 1.025 124 E HN 0.257 nan 8.360 nan 0.000 0.438 125 R N 0.772 121.308 120.500 0.059 0.000 2.623 125 R HA 0.005 4.373 4.340 0.047 0.000 0.271 125 R C 1.300 177.637 176.300 0.061 0.000 1.043 125 R CA -0.468 55.664 56.100 0.054 0.000 1.083 125 R CB 0.252 30.604 30.300 0.086 0.000 0.974 125 R HN 0.575 nan 8.270 nan 0.000 0.436 126 I N 1.739 122.339 120.570 0.049 0.000 2.208 126 I HA -0.155 4.043 4.170 0.047 0.000 0.245 126 I C 1.243 177.414 176.117 0.089 0.000 1.097 126 I CA 1.578 62.916 61.300 0.063 0.000 1.363 126 I CB -1.119 36.923 38.000 0.069 0.000 1.051 126 I HN 0.397 nan 8.210 nan 0.000 0.413 127 V N -3.252 116.750 119.914 0.146 0.000 3.040 127 V HA 0.518 4.666 4.120 0.047 0.000 0.312 127 V C 0.413 176.681 176.094 0.290 0.000 1.115 127 V CA -0.846 61.571 62.300 0.196 0.000 0.998 127 V CB 1.801 33.816 31.823 0.321 0.000 1.042 127 V HN 0.432 nan 8.190 nan 0.000 0.433 128 H N 0.470 119.608 119.070 0.113 0.000 2.862 128 H HA -0.220 4.364 4.556 0.046 0.000 0.290 128 H C 1.550 176.928 175.328 0.084 0.000 1.211 128 H CA 0.799 56.907 56.048 0.099 0.000 1.140 128 H CB -1.208 28.603 29.762 0.081 0.000 1.341 128 H HN 1.165 nan 8.280 nan 0.000 0.392 129 A N 0.753 123.663 122.820 0.151 0.000 1.972 129 A HA -0.118 4.230 4.320 0.047 0.000 0.219 129 A C 1.728 179.404 177.584 0.152 0.000 1.169 129 A CA 1.351 53.466 52.037 0.131 0.000 0.635 129 A CB -0.095 18.961 19.000 0.093 0.000 0.810 129 A HN 0.258 nan 8.150 nan 0.000 0.446 130 R N 0.341 120.929 120.500 0.148 0.000 2.210 130 R HA 0.499 4.867 4.340 0.047 0.000 0.338 130 R C -0.125 176.302 176.300 0.211 0.000 1.062 130 R CA 0.698 56.904 56.100 0.176 0.000 0.902 130 R CB 0.077 30.465 30.300 0.147 0.000 1.050 130 R HN 0.321 nan 8.270 nan 0.000 0.461 131 G N 0.956 109.905 108.800 0.249 0.000 2.698 131 G HA2 0.517 4.505 3.960 0.047 0.000 0.293 131 G HA3 0.517 4.505 3.960 0.047 0.000 0.293 131 G C -1.601 173.457 174.900 0.263 0.000 1.437 131 G CA -0.615 44.601 45.100 0.194 0.000 0.852 131 G HN 0.484 nan 8.290 nan 0.000 0.499 132 S N -0.895 114.912 115.700 0.178 0.000 2.538 132 S HA 0.879 5.377 4.470 0.047 0.000 0.288 132 S C -0.099 174.511 174.600 0.016 0.000 1.108 132 S CA -0.255 58.097 58.200 0.253 0.000 0.971 132 S CB 1.743 65.211 63.200 0.447 0.000 1.041 132 S HN 1.487 nan 8.310 nan 0.000 0.483 133 A N 1.624 124.405 122.820 -0.063 0.000 2.479 133 A HA 1.040 5.389 4.320 0.047 0.000 0.296 133 A C -0.880 176.510 177.584 -0.324 0.000 1.121 133 A CA -0.791 51.002 52.037 -0.406 0.000 0.743 133 A CB 1.613 20.196 19.000 -0.695 0.000 1.323 133 A HN 1.380 nan 8.150 nan 0.000 0.415 134 A N 0.323 122.789 122.820 -0.591 0.000 2.612 134 A HA 0.700 5.048 4.320 0.047 0.000 0.293 134 A C -1.118 176.250 177.584 -0.360 0.000 1.075 134 A CA -0.647 51.201 52.037 -0.315 0.000 0.680 134 A CB 0.724 19.640 19.000 -0.139 0.000 1.279 134 A HN 0.875 nan 8.150 nan 0.000 0.411 135 H N -0.282 118.790 119.070 0.003 0.000 2.505 135 H HA 0.678 5.262 4.556 0.046 0.000 0.351 135 H C 0.643 175.973 175.328 0.002 0.000 1.151 135 H CA 0.967 57.085 56.048 0.116 0.000 1.339 135 H CB 1.839 31.675 29.762 0.124 0.000 1.483 135 H HN 1.139 nan 8.280 nan 0.000 0.558 136 G N 0.593 109.496 108.800 0.172 0.000 2.578 136 G HA2 0.374 4.362 3.960 0.047 0.000 0.302 136 G HA3 0.374 4.362 3.960 0.047 0.000 0.302 136 G C -2.034 173.013 174.900 0.245 0.000 1.243 136 G CA -0.630 44.539 45.100 0.115 0.000 0.843 136 G HN 0.637 nan 8.290 nan 0.000 0.486 137 Y N -1.871 118.467 120.300 0.063 0.000 2.609 137 Y HA 0.815 5.393 4.550 0.047 0.000 0.336 137 Y C -1.873 174.165 175.900 0.230 0.000 1.129 137 Y CA -1.853 56.329 58.100 0.137 0.000 1.040 137 Y CB 1.778 40.290 38.460 0.085 0.000 1.310 137 Y HN 0.803 nan 8.280 nan 0.000 0.460 138 F N 2.480 122.575 119.950 0.241 0.000 2.546 138 F HA 0.708 5.263 4.527 0.047 0.000 0.320 138 F C -1.166 174.816 175.800 0.304 0.000 1.076 138 F CA -0.620 57.524 58.000 0.240 0.000 0.928 138 F CB 2.362 41.643 39.000 0.470 0.000 1.189 138 F HN 0.793 nan 8.300 nan 0.000 0.465 139 Q N 6.932 126.167 119.800 -0.942 0.000 2.268 139 Q HA 0.462 4.830 4.340 0.047 0.000 0.266 139 Q C -2.991 172.388 176.000 -1.036 0.000 1.006 139 Q CA -2.298 53.133 55.803 -0.620 0.000 0.824 139 Q CB 2.938 31.590 28.738 -0.142 0.000 1.306 139 Q HN 0.339 nan 8.270 nan 0.000 0.424 140 P HA 0.057 nan 4.420 nan 0.000 0.277 140 P C -0.493 176.652 177.300 -0.257 0.000 1.240 140 P CA 0.095 62.946 63.100 -0.416 0.000 0.798 140 P CB 0.552 32.194 31.700 -0.097 0.000 0.979 141 Y N 0.718 120.959 120.300 -0.099 0.000 2.337 141 Y HA -0.039 4.539 4.550 0.047 0.000 0.293 141 Y C 1.487 177.361 175.900 -0.043 0.000 1.123 141 Y CA 0.469 58.532 58.100 -0.062 0.000 1.201 141 Y CB 0.229 38.661 38.460 -0.047 0.000 1.011 141 Y HN 0.350 nan 8.280 nan 0.000 0.545 142 K N -0.858 119.600 120.400 0.096 0.000 2.556 142 K HA 0.375 4.723 4.320 0.047 0.000 0.274 142 K C -0.941 175.663 176.600 0.006 0.000 0.966 142 K CA -0.927 55.389 56.287 0.048 0.000 0.865 142 K CB 1.601 34.133 32.500 0.052 0.000 1.444 142 K HN -0.225 nan 8.250 nan 0.000 0.433 143 S N 1.302 117.003 115.700 0.002 0.000 2.537 143 S HA 0.128 4.626 4.470 0.047 0.000 0.286 143 S C 0.408 174.995 174.600 -0.021 0.000 1.299 143 S CA -0.560 57.632 58.200 -0.015 0.000 1.067 143 S CB -0.190 63.006 63.200 -0.008 0.000 0.864 143 S HN 0.560 nan 8.310 nan 0.000 0.494 144 L N 4.892 126.091 121.223 -0.041 0.000 2.928 144 L HA 0.141 4.509 4.340 0.047 0.000 0.246 144 L C 2.014 178.865 176.870 -0.031 0.000 1.239 144 L CA -0.035 54.788 54.840 -0.029 0.000 1.035 144 L CB -0.214 41.829 42.059 -0.027 0.000 1.360 144 L HN 0.876 nan 8.230 nan 0.000 0.529 145 S N -1.752 113.928 115.700 -0.032 0.000 2.440 145 S HA -0.187 4.312 4.470 0.047 0.000 0.238 145 S C 1.262 175.845 174.600 -0.028 0.000 1.010 145 S CA 1.114 59.295 58.200 -0.033 0.000 0.972 145 S CB -0.139 63.046 63.200 -0.025 0.000 0.774 145 S HN 0.405 nan 8.310 nan 0.000 0.501 146 D N 2.046 122.435 120.400 -0.020 0.000 2.219 146 D HA 0.008 4.676 4.640 0.047 0.000 0.205 146 D C 1.810 178.094 176.300 -0.027 0.000 0.970 146 D CA 1.416 55.404 54.000 -0.019 0.000 0.851 146 D CB -0.196 40.598 40.800 -0.010 0.000 0.943 146 D HN 0.809 nan 8.370 nan 0.000 0.488 147 I N -3.985 116.570 120.570 -0.025 0.000 4.288 147 I HA 0.229 4.427 4.170 0.047 0.000 0.331 147 I C 0.348 176.428 176.117 -0.063 0.000 1.322 147 I CA -0.011 61.267 61.300 -0.038 0.000 1.149 147 I CB 1.167 39.164 38.000 -0.006 0.000 1.112 147 I HN -0.250 nan 8.210 nan 0.000 0.403 148 T N 1.635 116.154 114.554 -0.060 0.000 2.982 148 T HA 0.317 4.695 4.350 0.047 0.000 0.321 148 T C -0.082 174.566 174.700 -0.086 0.000 1.229 148 T CA -0.675 61.372 62.100 -0.089 0.000 1.044 148 T CB 1.807 70.614 68.868 -0.101 0.000 1.184 148 T HN 0.433 nan 8.240 nan 0.000 0.477 149 K N 2.504 122.852 120.400 -0.087 0.000 2.437 149 K HA 0.586 4.935 4.320 0.047 0.000 0.198 149 K C 0.723 177.286 176.600 -0.062 0.000 1.024 149 K CA -0.328 55.919 56.287 -0.066 0.000 1.148 149 K CB 0.261 32.728 32.500 -0.055 0.000 0.860 149 K HN 0.495 nan 8.250 nan 0.000 0.515 150 A N 2.093 124.854 122.820 -0.098 0.000 2.522 150 A HA -0.053 4.295 4.320 0.047 0.000 0.256 150 A C 0.547 178.089 177.584 -0.070 0.000 1.086 150 A CA 0.052 52.041 52.037 -0.080 0.000 0.763 150 A CB 0.018 18.913 19.000 -0.175 0.000 1.024 150 A HN 0.468 nan 8.150 nan 0.000 0.502 151 D N 2.205 122.636 120.400 0.052 0.000 2.149 151 D HA -0.234 4.434 4.640 0.047 0.000 0.198 151 D C 1.342 177.714 176.300 0.120 0.000 0.990 151 D CA 2.269 56.316 54.000 0.079 0.000 0.839 151 D CB -0.237 40.633 40.800 0.116 0.000 0.948 151 D HN 0.750 nan 8.370 nan 0.000 0.460 152 F N -0.814 119.156 119.950 0.033 0.000 2.604 152 F HA 0.160 4.715 4.527 0.048 0.000 0.298 152 F C 1.056 176.937 175.800 0.135 0.000 1.131 152 F CA 0.356 58.414 58.000 0.097 0.000 1.457 152 F CB -0.204 38.849 39.000 0.088 0.000 1.095 152 F HN -0.063 nan 8.300 nan 0.000 0.574 153 L N 0.784 121.692 121.223 -0.525 0.000 2.857 153 L HA 0.195 4.563 4.340 0.047 0.000 0.249 153 L C 1.906 178.681 176.870 -0.159 0.000 1.172 153 L CA 0.334 54.943 54.840 -0.385 0.000 0.980 153 L CB -0.055 41.659 42.059 -0.576 0.000 1.299 153 L HN 0.318 nan 8.230 nan 0.000 0.535 154 S N -2.218 113.432 115.700 -0.083 0.000 2.558 154 S HA 0.034 4.532 4.470 0.047 0.000 0.217 154 S C 0.358 174.954 174.600 -0.007 0.000 0.975 154 S CA -0.060 58.118 58.200 -0.036 0.000 0.912 154 S CB 0.093 63.286 63.200 -0.012 0.000 0.776 154 S HN 0.374 nan 8.310 nan 0.000 0.526 155 D N 0.422 120.827 120.400 0.008 0.000 2.871 155 D HA 0.289 4.957 4.640 0.047 0.000 0.209 155 D C -2.546 173.769 176.300 0.025 0.000 1.292 155 D CA -1.652 52.360 54.000 0.021 0.000 0.869 155 D CB 2.002 42.822 40.800 0.033 0.000 1.663 155 D HN -0.173 nan 8.370 nan 0.000 0.557 156 P HA -0.106 nan 4.420 nan 0.000 0.219 156 P C 0.635 177.953 177.300 0.029 0.000 1.146 156 P CA 0.853 63.967 63.100 0.022 0.000 0.808 156 P CB 0.433 32.156 31.700 0.037 0.000 0.779 157 N N -0.383 118.338 118.700 0.036 0.000 2.463 157 N HA -0.034 4.734 4.740 0.047 0.000 0.181 157 N C 0.813 176.356 175.510 0.055 0.000 1.078 157 N CA 0.422 53.496 53.050 0.040 0.000 0.902 157 N CB -0.112 38.395 38.487 0.034 0.000 0.970 157 N HN 0.291 nan 8.380 nan 0.000 0.451 158 K N 1.711 122.153 120.400 0.071 0.000 2.316 158 K HA 0.175 4.523 4.320 0.047 0.000 0.289 158 K C -0.421 176.272 176.600 0.155 0.000 1.070 158 K CA -0.386 55.966 56.287 0.108 0.000 0.928 158 K CB 0.264 32.837 32.500 0.122 0.000 1.039 158 K HN 0.021 nan 8.250 nan 0.000 0.480 159 I N 1.405 122.070 120.570 0.158 0.000 2.412 159 I HA 0.359 4.557 4.170 0.047 0.000 0.296 159 I C -0.892 175.396 176.117 0.285 0.000 0.987 159 I CA 0.108 61.541 61.300 0.223 0.000 1.180 159 I CB 2.265 40.367 38.000 0.170 0.000 1.340 159 I HN 0.348 nan 8.210 nan 0.000 0.455 160 T N 7.729 122.538 114.554 0.425 0.000 2.770 160 T HA 0.507 4.886 4.350 0.047 0.000 0.283 160 T C -2.596 172.362 174.700 0.429 0.000 0.988 160 T CA -1.106 61.262 62.100 0.446 0.000 0.957 160 T CB 1.257 70.491 68.868 0.609 0.000 0.930 160 T HN 0.482 nan 8.240 nan 0.000 0.443 161 P HA 0.270 nan 4.420 nan 0.000 0.269 161 P C -0.609 176.923 177.300 0.386 0.000 1.209 161 P CA -0.407 62.880 63.100 0.311 0.000 0.776 161 P CB 0.514 32.316 31.700 0.170 0.000 0.876 162 V N -0.659 119.433 119.914 0.296 0.000 3.130 162 V HA 0.752 4.900 4.120 0.047 0.000 0.310 162 V C -1.437 174.820 176.094 0.271 0.000 1.158 162 V CA -0.961 61.424 62.300 0.141 0.000 1.029 162 V CB 2.311 33.996 31.823 -0.230 0.000 1.057 162 V HN 0.339 nan 8.190 nan 0.000 0.436 163 F N 1.837 121.769 119.950 -0.030 0.000 2.579 163 F HA 0.829 5.383 4.527 0.046 0.000 0.325 163 F C -0.974 174.730 175.800 -0.160 0.000 1.162 163 F CA -0.621 57.306 58.000 -0.122 0.000 0.946 163 F CB 1.898 40.852 39.000 -0.077 0.000 1.211 163 F HN 0.531 nan 8.300 nan 0.000 0.447 164 V N 6.490 125.964 119.914 -0.734 0.000 2.555 164 V HA 0.584 4.732 4.120 0.047 0.000 0.302 164 V C -0.673 174.768 176.094 -1.089 0.000 1.038 164 V CA -0.846 60.946 62.300 -0.845 0.000 0.887 164 V CB 1.991 33.239 31.823 -0.960 0.000 0.991 164 V HN 0.714 nan 8.190 nan 0.000 0.434 165 R N 3.558 123.402 120.500 -1.094 0.000 2.439 165 R HA 0.599 4.967 4.340 0.047 0.000 0.310 165 R C -1.621 174.072 176.300 -1.011 0.000 0.955 165 R CA -0.427 55.126 56.100 -0.913 0.000 0.853 165 R CB 1.066 31.002 30.300 -0.606 0.000 1.171 165 R HN 0.550 nan 8.270 nan 0.000 0.449 166 F N 2.108 121.643 119.950 -0.691 0.000 2.397 166 F HA 0.512 5.066 4.527 0.046 0.000 0.331 166 F C 0.617 176.059 175.800 -0.598 0.000 1.090 166 F CA -0.061 57.407 58.000 -0.887 0.000 1.065 166 F CB 2.029 39.991 39.000 -1.730 0.000 1.184 166 F HN 0.624 nan 8.300 nan 0.000 0.499 167 S N -0.935 114.679 115.700 -0.143 0.000 2.643 167 S HA 0.664 5.162 4.470 0.047 0.000 0.270 167 S C -0.607 174.134 174.600 0.235 0.000 1.166 167 S CA -0.827 57.440 58.200 0.111 0.000 0.815 167 S CB 1.358 64.670 63.200 0.186 0.000 1.139 167 S HN 0.696 nan 8.310 nan 0.000 0.472 168 T N -1.586 113.100 114.554 0.220 0.000 2.902 168 T HA 0.719 5.097 4.350 0.047 0.000 0.287 168 T C 0.791 175.463 174.700 -0.047 0.000 1.048 168 T CA -0.121 62.073 62.100 0.156 0.000 0.941 168 T CB 0.404 69.366 68.868 0.157 0.000 1.432 168 T HN 0.637 nan 8.240 nan 0.000 0.586 169 V N -0.205 119.631 119.914 -0.129 0.000 2.948 169 V HA 0.112 4.260 4.120 0.047 0.000 0.234 169 V C 2.745 178.755 176.094 -0.140 0.000 1.205 169 V CA 0.296 62.380 62.300 -0.360 0.000 1.234 169 V CB -0.334 31.379 31.823 -0.183 0.000 1.020 169 V HN 0.844 nan 8.190 nan 0.000 0.491 170 Q N 1.174 120.933 119.800 -0.068 0.000 2.020 170 Q HA 0.034 4.402 4.340 0.047 0.000 0.198 170 Q C 1.345 177.321 176.000 -0.041 0.000 0.974 170 Q CA 1.522 57.285 55.803 -0.065 0.000 0.829 170 Q CB -0.486 28.198 28.738 -0.089 0.000 0.894 170 Q HN 0.585 nan 8.270 nan 0.000 0.433 171 G N -0.147 108.642 108.800 -0.019 0.000 2.664 171 G HA2 0.323 4.312 3.960 0.047 0.000 0.242 171 G HA3 0.323 4.312 3.960 0.047 0.000 0.242 171 G C 0.170 175.075 174.900 0.010 0.000 1.225 171 G CA 0.095 45.189 45.100 -0.009 0.000 0.849 171 G HN 0.366 nan 8.290 nan 0.000 0.581 172 G N -1.221 107.581 108.800 0.003 0.000 2.616 172 G HA2 0.488 4.476 3.960 0.047 0.000 0.268 172 G HA3 0.488 4.476 3.960 0.047 0.000 0.268 172 G C 1.323 176.252 174.900 0.048 0.000 1.213 172 G CA 0.439 45.550 45.100 0.019 0.000 0.926 172 G HN 1.095 nan 8.290 nan 0.000 0.523 173 A N -0.591 122.269 122.820 0.066 0.000 2.024 173 A HA 0.096 4.445 4.320 0.047 0.000 0.220 173 A C 2.226 179.847 177.584 0.062 0.000 1.164 173 A CA 2.023 54.117 52.037 0.096 0.000 0.643 173 A CB -0.405 18.669 19.000 0.122 0.000 0.806 173 A HN 1.122 nan 8.150 nan 0.000 0.451 174 G N -0.262 108.555 108.800 0.029 0.000 3.284 174 G HA2 0.332 4.320 3.960 0.047 0.000 0.236 174 G HA3 0.332 4.320 3.960 0.047 0.000 0.236 174 G C 0.677 175.577 174.900 -0.000 0.000 1.158 174 G CA 0.651 45.752 45.100 0.003 0.000 0.774 174 G HN 0.664 nan 8.290 nan 0.000 0.545 175 S N -0.221 115.488 115.700 0.014 0.000 2.655 175 S HA 0.736 5.235 4.470 0.047 0.000 0.265 175 S C 0.481 175.094 174.600 0.020 0.000 1.240 175 S CA -0.115 58.090 58.200 0.008 0.000 0.986 175 S CB 1.629 64.835 63.200 0.010 0.000 0.985 175 S HN 0.543 nan 8.310 nan 0.000 0.562 176 A N 0.348 123.174 122.820 0.011 0.000 2.351 176 A HA 0.385 4.734 4.320 0.047 0.000 0.257 176 A C 0.640 178.243 177.584 0.031 0.000 1.087 176 A CA -0.530 51.511 52.037 0.005 0.000 0.798 176 A CB -0.139 18.847 19.000 -0.023 0.000 1.033 176 A HN 0.878 nan 8.150 nan 0.000 0.488 177 D N 0.463 120.869 120.400 0.010 0.000 2.120 177 D HA -0.060 4.608 4.640 0.047 0.000 0.202 177 D C 1.595 177.851 176.300 -0.074 0.000 0.972 177 D CA 2.225 56.234 54.000 0.016 0.000 0.837 177 D CB -0.269 40.503 40.800 -0.047 0.000 0.989 177 D HN 0.681 nan 8.370 nan 0.000 0.469 178 T N 0.030 114.468 114.554 -0.193 0.000 3.418 178 T HA 0.293 4.671 4.350 0.047 0.000 0.239 178 T C 0.795 175.475 174.700 -0.034 0.000 0.905 178 T CA -0.572 61.412 62.100 -0.193 0.000 0.929 178 T CB -0.993 67.685 68.868 -0.316 0.000 1.121 178 T HN -0.085 nan 8.240 nan 0.000 0.608 179 V N -1.351 118.597 119.914 0.057 0.000 3.264 179 V HA 0.504 4.653 4.120 0.047 0.000 0.304 179 V C 0.633 176.868 176.094 0.236 0.000 1.086 179 V CA -1.535 60.851 62.300 0.144 0.000 1.090 179 V CB 0.640 32.534 31.823 0.119 0.000 1.112 179 V HN 0.551 nan 8.190 nan 0.000 0.472 180 R N 1.435 122.125 120.500 0.317 0.000 2.202 180 R HA 0.506 4.874 4.340 0.047 0.000 0.334 180 R C -1.100 175.285 176.300 0.141 0.000 1.036 180 R CA -0.116 56.131 56.100 0.244 0.000 0.878 180 R CB 0.300 30.678 30.300 0.131 0.000 1.067 180 R HN 1.057 nan 8.270 nan 0.000 0.457 181 D N 3.347 123.841 120.400 0.157 0.000 2.710 181 D HA 0.201 4.869 4.640 0.047 0.000 0.276 181 D C -0.573 175.843 176.300 0.193 0.000 1.267 181 D CA -0.605 53.476 54.000 0.135 0.000 0.772 181 D CB 1.277 42.146 40.800 0.114 0.000 1.299 181 D HN 0.244 nan 8.370 nan 0.000 0.421 182 I N 1.200 121.902 120.570 0.219 0.000 2.823 182 I HA 0.284 4.483 4.170 0.047 0.000 0.290 182 I C 0.796 177.058 176.117 0.241 0.000 1.091 182 I CA -0.160 61.284 61.300 0.240 0.000 1.365 182 I CB 0.204 38.379 38.000 0.291 0.000 1.427 182 I HN 0.258 nan 8.210 nan 0.000 0.583 183 R N 2.250 122.913 120.500 0.272 0.000 2.637 183 R HA 0.569 4.937 4.340 0.047 0.000 0.291 183 R C -0.160 176.335 176.300 0.324 0.000 0.963 183 R CA -0.761 55.515 56.100 0.294 0.000 0.901 183 R CB 1.555 32.048 30.300 0.321 0.000 1.160 183 R HN 0.805 nan 8.270 nan 0.000 0.457 184 G N 0.910 109.916 108.800 0.342 0.000 2.400 184 G HA2 0.503 4.491 3.960 0.047 0.000 0.301 184 G HA3 0.503 4.491 3.960 0.047 0.000 0.301 184 G C -1.306 173.658 174.900 0.108 0.000 1.154 184 G CA -0.097 45.177 45.100 0.290 0.000 0.852 184 G HN 0.351 nan 8.290 nan 0.000 0.511 185 F N 2.101 121.952 119.950 -0.164 0.000 2.949 185 F HA 0.642 5.197 4.527 0.047 0.000 0.376 185 F C -0.131 175.378 175.800 -0.486 0.000 1.205 185 F CA -1.834 55.960 58.000 -0.343 0.000 1.155 185 F CB 0.987 39.894 39.000 -0.156 0.000 1.495 185 F HN 0.649 nan 8.300 nan 0.000 0.551 186 A N 3.231 125.783 122.820 -0.447 0.000 2.304 186 A HA 0.788 5.136 4.320 0.047 0.000 0.323 186 A C -0.528 176.635 177.584 -0.702 0.000 1.195 186 A CA -0.406 51.224 52.037 -0.679 0.000 0.826 186 A CB 0.760 19.013 19.000 -1.245 0.000 1.184 186 A HN 0.529 nan 8.150 nan 0.000 0.496 187 T N 2.299 116.597 114.554 -0.426 0.000 2.812 187 T HA 0.401 4.779 4.350 0.047 0.000 0.282 187 T C -0.376 174.122 174.700 -0.336 0.000 0.990 187 T CA -0.504 61.337 62.100 -0.433 0.000 0.960 187 T CB 1.110 69.660 68.868 -0.530 0.000 0.948 187 T HN 0.639 nan 8.240 nan 0.000 0.438 188 K N 3.512 123.783 120.400 -0.214 0.000 2.263 188 K HA 0.444 4.792 4.320 0.047 0.000 0.272 188 K C -1.279 174.960 176.600 -0.601 0.000 1.033 188 K CA -0.602 55.466 56.287 -0.364 0.000 0.884 188 K CB 0.349 32.583 32.500 -0.442 0.000 1.107 188 K HN 0.399 nan 8.250 nan 0.000 0.460 189 F N 4.328 123.978 119.950 -0.500 0.000 2.391 189 F HA 0.228 4.784 4.527 0.047 0.000 0.359 189 F C -0.386 175.204 175.800 -0.351 0.000 1.122 189 F CA -0.577 57.195 58.000 -0.381 0.000 1.120 189 F CB 0.644 39.332 39.000 -0.520 0.000 1.142 189 F HN 0.446 nan 8.300 nan 0.000 0.483 190 Y N 1.866 122.217 120.300 0.084 0.000 2.632 190 Y HA 0.208 4.786 4.550 0.046 0.000 0.336 190 Y C 1.078 177.033 175.900 0.092 0.000 1.237 190 Y CA -0.902 57.232 58.100 0.057 0.000 1.595 190 Y CB -0.377 38.106 38.460 0.038 0.000 1.508 190 Y HN 0.544 nan 8.280 nan 0.000 0.480 191 T N -2.639 112.010 114.554 0.159 0.000 2.816 191 T HA 0.159 4.537 4.350 0.047 0.000 0.282 191 T C 0.944 175.738 174.700 0.157 0.000 0.993 191 T CA -0.711 61.489 62.100 0.167 0.000 0.994 191 T CB 1.046 69.989 68.868 0.126 0.000 1.025 191 T HN 0.634 nan 8.240 nan 0.000 0.529 192 E N -0.093 120.202 120.200 0.159 0.000 2.482 192 E HA -0.005 4.373 4.350 0.047 0.000 0.196 192 E C 0.871 177.536 176.600 0.110 0.000 1.047 192 E CA 0.524 57.000 56.400 0.126 0.000 0.869 192 E CB 0.127 29.897 29.700 0.117 0.000 0.836 192 E HN 0.722 nan 8.360 nan 0.000 0.520 193 E N 0.254 120.521 120.200 0.112 0.000 2.789 193 E HA 0.266 4.645 4.350 0.047 0.000 0.208 193 E C 0.067 176.716 176.600 0.082 0.000 0.988 193 E CA -0.282 56.176 56.400 0.098 0.000 1.092 193 E CB 1.350 31.111 29.700 0.101 0.000 1.066 193 E HN 0.186 nan 8.360 nan 0.000 0.465 194 G N 1.135 109.978 108.800 0.071 0.000 2.392 194 G HA2 -0.106 3.882 3.960 0.047 0.000 0.677 194 G HA3 -0.106 3.882 3.960 0.047 0.000 0.677 194 G C -0.972 173.938 174.900 0.016 0.000 1.334 194 G CA -1.120 43.999 45.100 0.032 0.000 0.961 194 G HN 0.019 nan 8.290 nan 0.000 0.616 195 I N 0.737 121.279 120.570 -0.045 0.000 2.496 195 I HA 0.418 4.616 4.170 0.047 0.000 0.285 195 I C 0.067 176.196 176.117 0.021 0.000 1.080 195 I CA -0.160 61.086 61.300 -0.089 0.000 1.404 195 I CB 0.788 38.658 38.000 -0.216 0.000 1.403 195 I HN 0.475 nan 8.210 nan 0.000 0.539 196 F N 6.741 126.591 119.950 -0.167 0.000 2.427 196 F HA 0.451 5.007 4.527 0.048 0.000 0.348 196 F C -0.613 175.156 175.800 -0.053 0.000 1.125 196 F CA -1.318 56.581 58.000 -0.168 0.000 0.989 196 F CB 0.737 39.485 39.000 -0.419 0.000 1.165 196 F HN 0.341 nan 8.300 nan 0.000 0.442 197 D N 6.893 127.136 120.400 -0.263 0.000 2.280 197 D HA 0.252 4.920 4.640 0.047 0.000 0.236 197 D C -0.626 175.245 176.300 -0.715 0.000 1.082 197 D CA 0.050 53.823 54.000 -0.379 0.000 0.834 197 D CB 2.297 43.065 40.800 -0.053 0.000 1.100 197 D HN 0.640 nan 8.370 nan 0.000 0.486 198 L N 3.307 124.056 121.223 -0.789 0.000 2.283 198 L HA 0.284 4.653 4.340 0.047 0.000 0.281 198 L C -0.988 175.686 176.870 -0.325 0.000 1.033 198 L CA -0.635 53.824 54.840 -0.635 0.000 0.848 198 L CB 0.706 42.398 42.059 -0.613 0.000 1.226 198 L HN 0.049 nan 8.230 nan 0.000 0.429 199 V N 5.330 125.090 119.914 -0.256 0.000 2.270 199 V HA 0.517 4.665 4.120 0.047 0.000 0.263 199 V C 0.781 176.796 176.094 -0.131 0.000 1.066 199 V CA -0.284 61.875 62.300 -0.234 0.000 0.857 199 V CB 0.527 32.172 31.823 -0.296 0.000 1.099 199 V HN 0.818 nan 8.190 nan 0.000 0.476 200 G N 3.312 112.053 108.800 -0.099 0.000 3.016 200 G HA2 0.669 4.657 3.960 0.047 0.000 0.270 200 G HA3 0.669 4.657 3.960 0.047 0.000 0.270 200 G C -0.914 174.022 174.900 0.061 0.000 1.352 200 G CA -0.600 44.493 45.100 -0.012 0.000 1.060 200 G HN 0.477 nan 8.290 nan 0.000 0.538 201 N N -1.050 117.733 118.700 0.138 0.000 2.900 201 N HA 0.256 5.024 4.740 0.047 0.000 0.293 201 N C 0.269 175.959 175.510 0.300 0.000 1.408 201 N CA -0.736 52.452 53.050 0.230 0.000 0.785 201 N CB 1.333 39.953 38.487 0.222 0.000 1.589 201 N HN 0.518 nan 8.380 nan 0.000 0.566 202 N N -1.326 117.566 118.700 0.320 0.000 2.268 202 N HA 0.006 4.774 4.740 0.047 0.000 0.204 202 N C -0.634 175.129 175.510 0.422 0.000 1.124 202 N CA -0.098 53.186 53.050 0.390 0.000 0.838 202 N CB -0.182 38.516 38.487 0.351 0.000 0.994 202 N HN 0.527 nan 8.380 nan 0.000 0.489 203 T N -3.533 111.111 114.554 0.150 0.000 2.893 203 T HA 0.440 4.818 4.350 0.047 0.000 0.293 203 T C -2.555 171.583 174.700 -0.936 0.000 1.027 203 T CA -1.652 60.134 62.100 -0.525 0.000 0.988 203 T CB 2.925 71.385 68.868 -0.679 0.000 1.043 203 T HN -0.293 nan 8.240 nan 0.000 0.461 204 P HA 0.128 nan 4.420 nan 0.000 0.237 204 P C 0.611 177.379 177.300 -0.886 0.000 1.178 204 P CA 0.346 62.504 63.100 -1.571 0.000 0.766 204 P CB -0.112 30.656 31.700 -1.553 0.000 0.876 205 I N -4.993 115.041 120.570 -0.892 0.000 3.239 205 I HA 0.538 4.736 4.170 0.047 0.000 0.314 205 I C -1.099 174.742 176.117 -0.460 0.000 1.126 205 I CA -1.940 58.991 61.300 -0.615 0.000 0.973 205 I CB 1.395 38.997 38.000 -0.663 0.000 1.252 205 I HN -0.247 nan 8.210 nan 0.000 0.463 206 F N 0.495 120.168 119.950 -0.462 0.000 2.572 206 F HA 0.500 5.054 4.527 0.047 0.000 0.342 206 F C 0.460 176.024 175.800 -0.394 0.000 1.064 206 F CA -0.707 57.063 58.000 -0.384 0.000 1.008 206 F CB 1.816 40.712 39.000 -0.174 0.000 1.303 206 F HN 0.396 nan 8.300 nan 0.000 0.492 207 F N 2.050 121.253 119.950 -1.245 0.000 2.234 207 F HA 0.013 4.569 4.527 0.047 0.000 0.299 207 F C 0.719 176.273 175.800 -0.409 0.000 1.087 207 F CA 0.887 58.365 58.000 -0.871 0.000 1.340 207 F CB -0.179 37.918 39.000 -1.506 0.000 1.031 207 F HN 0.130 nan 8.300 nan 0.000 0.500 208 I N -3.149 117.441 120.570 0.033 0.000 2.957 208 I HA 0.367 4.565 4.170 0.047 0.000 0.310 208 I C 0.414 176.688 176.117 0.261 0.000 1.063 208 I CA -0.831 60.582 61.300 0.188 0.000 1.033 208 I CB 1.855 40.017 38.000 0.270 0.000 1.230 208 I HN -0.131 nan 8.210 nan 0.000 0.447 209 Q N 0.402 120.350 119.800 0.247 0.000 2.259 209 Q HA 0.128 4.496 4.340 0.047 0.000 0.201 209 Q C -0.281 175.884 176.000 0.275 0.000 0.938 209 Q CA 0.672 56.658 55.803 0.306 0.000 0.872 209 Q CB 0.437 29.420 28.738 0.409 0.000 0.971 209 Q HN 0.652 nan 8.270 nan 0.000 0.494 210 D N -1.113 119.421 120.400 0.224 0.000 2.505 210 D HA 0.308 4.977 4.640 0.047 0.000 0.249 210 D C 0.026 176.447 176.300 0.202 0.000 1.082 210 D CA -0.224 53.878 54.000 0.169 0.000 0.839 210 D CB 1.832 42.703 40.800 0.119 0.000 1.317 210 D HN 0.041 nan 8.370 nan 0.000 0.497 211 A N 3.340 126.251 122.820 0.151 0.000 2.024 211 A HA -0.247 4.101 4.320 0.047 0.000 0.220 211 A C 1.788 179.493 177.584 0.203 0.000 1.164 211 A CA 1.748 53.873 52.037 0.145 0.000 0.643 211 A CB -0.769 18.263 19.000 0.053 0.000 0.806 211 A HN 0.815 nan 8.150 nan 0.000 0.451 212 H N -0.007 119.122 119.070 0.099 0.000 2.457 212 H HA -0.008 4.577 4.556 0.047 0.000 0.297 212 H C 1.546 176.950 175.328 0.127 0.000 1.092 212 H CA 1.873 57.972 56.048 0.085 0.000 1.309 212 H CB 0.063 29.851 29.762 0.043 0.000 1.382 212 H HN 0.403 nan 8.280 nan 0.000 0.535 213 K N -0.537 119.990 120.400 0.212 0.000 2.404 213 K HA -0.036 4.313 4.320 0.047 0.000 0.194 213 K C 1.329 178.062 176.600 0.221 0.000 1.023 213 K CA -0.033 56.376 56.287 0.202 0.000 1.094 213 K CB 0.063 32.739 32.500 0.293 0.000 0.841 213 K HN 0.288 nan 8.250 nan 0.000 0.523 214 F N 3.143 123.145 119.950 0.087 0.000 2.095 214 F HA -0.159 4.395 4.527 0.046 0.000 0.298 214 F C -0.998 174.819 175.800 0.027 0.000 1.104 214 F CA 1.475 59.548 58.000 0.120 0.000 1.232 214 F CB -0.481 38.580 39.000 0.101 0.000 0.987 214 F HN 0.027 nan 8.300 nan 0.000 0.475 215 P HA -0.137 nan 4.420 nan 0.000 0.217 215 P C 1.025 178.002 177.300 -0.538 0.000 1.150 215 P CA 1.726 64.574 63.100 -0.420 0.000 0.832 215 P CB -0.093 31.380 31.700 -0.379 0.000 0.787 216 D N -1.002 119.225 120.400 -0.288 0.000 2.078 216 D HA -0.172 4.496 4.640 0.047 0.000 0.193 216 D C 1.846 177.851 176.300 -0.491 0.000 0.990 216 D CA 1.089 54.961 54.000 -0.214 0.000 0.827 216 D CB -0.983 39.871 40.800 0.090 0.000 0.975 216 D HN 0.130 nan 8.370 nan 0.000 0.451 217 F N 1.879 121.390 119.950 -0.731 0.000 2.091 217 F HA -0.260 4.295 4.527 0.047 0.000 0.299 217 F C 2.310 177.726 175.800 -0.639 0.000 1.103 217 F CA 1.307 58.705 58.000 -1.004 0.000 1.228 217 F CB -0.215 38.453 39.000 -0.554 0.000 0.984 217 F HN -0.232 nan 8.300 nan 0.000 0.477 218 V N 0.151 119.672 119.914 -0.655 0.000 2.358 218 V HA -0.329 3.819 4.120 0.047 0.000 0.246 218 V C 2.279 178.170 176.094 -0.339 0.000 1.047 218 V CA 2.407 64.363 62.300 -0.572 0.000 1.035 218 V CB -1.048 30.453 31.823 -0.538 0.000 0.658 218 V HN 0.473 nan 8.190 nan 0.000 0.452 219 H N -0.159 118.686 119.070 -0.375 0.000 2.352 219 H HA -0.150 4.434 4.556 0.047 0.000 0.299 219 H C 2.349 177.526 175.328 -0.250 0.000 1.097 219 H CA 1.107 57.011 56.048 -0.239 0.000 1.311 219 H CB 0.013 29.682 29.762 -0.155 0.000 1.377 219 H HN 0.485 nan 8.280 nan 0.000 0.504 220 A N 0.459 123.114 122.820 -0.275 0.000 1.902 220 A HA -0.128 4.220 4.320 0.047 0.000 0.217 220 A C 2.532 179.965 177.584 -0.252 0.000 1.181 220 A CA 1.515 53.384 52.037 -0.280 0.000 0.623 220 A CB -0.775 17.942 19.000 -0.471 0.000 0.818 220 A HN 0.305 nan 8.150 nan 0.000 0.443 221 V N -0.181 119.458 119.914 -0.459 0.000 2.649 221 V HA -0.013 4.135 4.120 0.047 0.000 0.248 221 V C 0.943 177.001 176.094 -0.060 0.000 1.054 221 V CA 0.865 62.965 62.300 -0.334 0.000 1.073 221 V CB -0.483 30.942 31.823 -0.664 0.000 0.699 221 V HN 0.348 nan 8.190 nan 0.000 0.463 222 K N 1.016 121.345 120.400 -0.118 0.000 2.234 222 K HA 0.180 4.528 4.320 0.047 0.000 0.251 222 K C -2.288 174.261 176.600 -0.084 0.000 1.011 222 K CA -1.535 54.697 56.287 -0.093 0.000 0.889 222 K CB -0.484 31.953 32.500 -0.104 0.000 1.011 222 K HN 0.175 nan 8.250 nan 0.000 0.505 223 P HA -0.029 nan 4.420 nan 0.000 0.262 223 P C -0.547 176.687 177.300 -0.109 0.000 1.182 223 P CA 0.459 63.421 63.100 -0.229 0.000 0.761 223 P CB 0.267 31.841 31.700 -0.211 0.000 0.795 224 E N 5.955 126.137 120.200 -0.030 0.000 2.415 224 E HA -0.044 4.334 4.350 0.047 0.000 0.262 224 E C -1.161 175.504 176.600 0.109 0.000 1.038 224 E CA -1.147 55.343 56.400 0.149 0.000 0.921 224 E CB 0.077 29.995 29.700 0.364 0.000 0.950 224 E HN 0.436 nan 8.360 nan 0.000 0.438 225 P HA -0.211 nan 4.420 nan 0.000 0.221 225 P C 0.976 178.348 177.300 0.120 0.000 1.150 225 P CA 1.432 64.572 63.100 0.066 0.000 0.800 225 P CB 0.027 31.742 31.700 0.025 0.000 0.787 226 H N -0.774 118.340 119.070 0.072 0.000 2.307 226 H HA -0.075 4.509 4.556 0.048 0.000 0.303 226 H C 1.561 176.995 175.328 0.177 0.000 1.073 226 H CA 1.459 57.538 56.048 0.051 0.000 1.338 226 H CB -1.390 28.331 29.762 -0.070 0.000 1.389 226 H HN 0.301 nan 8.280 nan 0.000 0.503 227 W N 0.146 121.086 121.300 -0.601 0.000 2.870 227 W HA 0.691 5.380 4.660 0.047 0.000 0.358 227 W C 0.446 176.800 176.519 -0.274 0.000 1.043 227 W CA -0.976 56.144 57.345 -0.376 0.000 1.692 227 W CB -0.732 28.473 29.460 -0.425 0.000 1.100 227 W HN 0.456 nan 8.180 nan 0.000 0.557 228 A N 1.268 124.051 122.820 -0.060 0.000 2.667 228 A HA -0.136 4.212 4.320 0.047 0.000 0.298 228 A C -0.464 176.879 177.584 -0.401 0.000 1.483 228 A CA 1.367 53.294 52.037 -0.184 0.000 0.738 228 A CB -2.412 16.511 19.000 -0.129 0.000 1.067 228 A HN 0.463 nan 8.150 nan 0.000 0.451 229 I N 0.442 120.626 120.570 -0.643 0.000 2.686 229 I HA 0.565 4.763 4.170 0.047 0.000 0.295 229 I C -2.531 173.258 176.117 -0.547 0.000 1.114 229 I CA -2.377 58.442 61.300 -0.802 0.000 1.038 229 I CB 3.020 40.048 38.000 -1.620 0.000 1.238 229 I HN 0.208 nan 8.210 nan 0.000 0.420 230 P HA 0.334 nan 4.420 nan 0.000 0.295 230 P C -1.585 175.542 177.300 -0.289 0.000 1.319 230 P CA -0.897 61.970 63.100 -0.389 0.000 0.940 230 P CB 1.551 33.101 31.700 -0.250 0.000 1.192 231 Q N 0.803 120.481 119.800 -0.204 0.000 2.267 231 Q HA 0.488 4.856 4.340 0.047 0.000 0.255 231 Q C 1.078 177.033 176.000 -0.075 0.000 0.923 231 Q CA 1.003 56.725 55.803 -0.135 0.000 0.925 231 Q CB -0.333 28.337 28.738 -0.112 0.000 1.195 231 Q HN 0.816 nan 8.270 nan 0.000 0.417 232 G N 3.265 112.031 108.800 -0.056 0.000 2.225 232 G HA2 -0.291 3.697 3.960 0.047 0.000 0.267 232 G HA3 -0.291 3.697 3.960 0.047 0.000 0.267 232 G C -0.415 174.494 174.900 0.016 0.000 1.024 232 G CA 0.613 45.706 45.100 -0.012 0.000 0.784 232 G HN 0.545 nan 8.290 nan 0.000 0.507 233 Q N -1.216 118.578 119.800 -0.009 0.000 2.345 233 Q HA 0.571 4.939 4.340 0.047 0.000 0.275 233 Q C 0.723 176.731 176.000 0.014 0.000 1.063 233 Q CA -0.171 55.655 55.803 0.039 0.000 0.819 233 Q CB 1.804 30.607 28.738 0.109 0.000 1.356 233 Q HN 0.467 nan 8.270 nan 0.000 0.418 234 S N -0.658 114.965 115.700 -0.127 0.000 2.556 234 S HA 0.215 4.713 4.470 0.047 0.000 0.216 234 S C 0.896 175.451 174.600 -0.075 0.000 0.970 234 S CA 0.029 57.928 58.200 -0.502 0.000 0.912 234 S CB 0.372 62.767 63.200 -1.342 0.000 0.790 234 S HN 0.601 nan 8.310 nan 0.000 0.504 235 A N 2.324 125.289 122.820 0.243 0.000 3.048 235 A HA 0.497 4.845 4.320 0.047 0.000 0.264 235 A C 0.124 177.947 177.584 0.399 0.000 1.796 235 A CA -0.545 51.714 52.037 0.370 0.000 1.445 235 A CB -1.318 17.815 19.000 0.222 0.000 1.074 235 A HN 0.900 nan 8.150 nan 0.000 0.621 236 H N -3.769 115.492 119.070 0.317 0.000 3.017 236 H HA 0.528 5.113 4.556 0.048 0.000 0.346 236 H C -0.203 175.317 175.328 0.319 0.000 1.286 236 H CA -0.795 55.404 56.048 0.251 0.000 1.120 236 H CB 0.381 30.251 29.762 0.181 0.000 1.860 236 H HN 0.067 nan 8.280 nan 0.000 0.542 237 D N 0.260 120.826 120.400 0.277 0.000 2.106 237 D HA -0.226 4.442 4.640 0.047 0.000 0.191 237 D C 2.159 178.514 176.300 0.091 0.000 0.997 237 D CA 3.188 57.288 54.000 0.166 0.000 0.834 237 D CB -0.422 40.452 40.800 0.123 0.000 0.956 237 D HN 0.795 nan 8.370 nan 0.000 0.448 238 T N -1.590 113.011 114.554 0.078 0.000 2.788 238 T HA -0.215 4.163 4.350 0.047 0.000 0.268 238 T C 1.900 176.531 174.700 -0.115 0.000 1.044 238 T CA 0.780 62.892 62.100 0.020 0.000 1.139 238 T CB -0.712 68.218 68.868 0.102 0.000 0.867 238 T HN 0.159 nan 8.240 nan 0.000 0.454 239 F N 0.847 120.485 119.950 -0.521 0.000 2.075 239 F HA 0.067 4.622 4.527 0.047 0.000 0.297 239 F C 1.949 177.458 175.800 -0.484 0.000 1.113 239 F CA 0.793 58.401 58.000 -0.655 0.000 1.218 239 F CB -0.685 37.726 39.000 -0.982 0.000 0.984 239 F HN 0.157 nan 8.300 nan 0.000 0.472 240 W N 0.667 121.877 121.300 -0.151 0.000 2.402 240 W HA -0.140 4.549 4.660 0.047 0.000 0.286 240 W C 2.382 178.809 176.519 -0.153 0.000 1.221 240 W CA 1.109 58.358 57.345 -0.160 0.000 1.257 240 W CB -0.698 28.758 29.460 -0.008 0.000 1.120 240 W HN 0.091 nan 8.180 nan 0.000 0.551 241 D N -0.568 119.865 120.400 0.054 0.000 2.092 241 D HA -0.305 4.364 4.640 0.047 0.000 0.193 241 D C 1.884 178.179 176.300 -0.009 0.000 0.994 241 D CA 1.626 55.643 54.000 0.028 0.000 0.828 241 D CB -0.668 40.158 40.800 0.043 0.000 0.963 241 D HN 0.192 nan 8.370 nan 0.000 0.450 242 Y N 0.415 120.604 120.300 -0.184 0.000 2.097 242 Y HA -0.242 4.337 4.550 0.048 0.000 0.282 242 Y C 2.340 178.108 175.900 -0.220 0.000 1.152 242 Y CA 1.756 59.736 58.100 -0.199 0.000 1.136 242 Y CB -0.454 37.847 38.460 -0.265 0.000 0.975 242 Y HN -0.096 nan 8.280 nan 0.000 0.498 243 V N 0.087 119.869 119.914 -0.221 0.000 2.287 243 V HA -0.358 3.790 4.120 0.047 0.000 0.248 243 V C 2.601 178.635 176.094 -0.099 0.000 1.053 243 V CA 2.275 64.443 62.300 -0.219 0.000 1.027 243 V CB -1.265 30.320 31.823 -0.397 0.000 0.646 243 V HN 0.673 nan 8.190 nan 0.000 0.447 244 S N -0.165 115.521 115.700 -0.023 0.000 2.419 244 S HA -0.087 4.411 4.470 0.047 0.000 0.233 244 S C 1.699 176.264 174.600 -0.059 0.000 1.016 244 S CA 1.467 59.674 58.200 0.012 0.000 0.974 244 S CB -0.488 62.747 63.200 0.059 0.000 0.786 244 S HN 0.566 nan 8.310 nan 0.000 0.492 245 L N -0.028 121.114 121.223 -0.135 0.000 2.585 245 L HA 0.323 4.691 4.340 0.047 0.000 0.226 245 L C 0.485 177.190 176.870 -0.275 0.000 1.113 245 L CA 0.102 54.838 54.840 -0.172 0.000 0.876 245 L CB 0.028 41.987 42.059 -0.167 0.000 1.072 245 L HN 0.251 nan 8.230 nan 0.000 0.468 246 Q N 0.246 119.839 119.800 -0.345 0.000 3.090 246 Q HA 0.227 4.595 4.340 0.047 0.000 0.241 246 Q C -1.942 173.842 176.000 -0.360 0.000 0.958 246 Q CA -1.438 54.118 55.803 -0.412 0.000 0.715 246 Q CB 1.554 29.938 28.738 -0.591 0.000 1.298 246 Q HN -0.025 nan 8.270 nan 0.000 0.468 247 P HA -0.246 nan 4.420 nan 0.000 0.221 247 P C 1.032 178.030 177.300 -0.504 0.000 1.145 247 P CA 1.276 64.112 63.100 -0.439 0.000 0.795 247 P CB 0.266 31.653 31.700 -0.521 0.000 0.775 248 E N 0.699 120.469 120.200 -0.715 0.000 2.219 248 E HA -0.206 4.173 4.350 0.047 0.000 0.198 248 E C 1.543 178.111 176.600 -0.053 0.000 0.998 248 E CA 1.999 58.258 56.400 -0.236 0.000 0.818 248 E CB -1.403 28.232 29.700 -0.108 0.000 0.741 248 E HN 0.307 nan 8.360 nan 0.000 0.477 249 T N -0.567 113.961 114.554 -0.043 0.000 3.035 249 T HA 0.001 4.379 4.350 0.047 0.000 0.268 249 T C 1.967 176.750 174.700 0.138 0.000 1.109 249 T CA 0.563 62.708 62.100 0.075 0.000 1.119 249 T CB -0.356 68.592 68.868 0.134 0.000 0.900 249 T HN 0.156 nan 8.240 nan 0.000 0.503 250 L N 0.101 121.406 121.223 0.136 0.000 2.079 250 L HA -0.117 4.251 4.340 0.047 0.000 0.210 250 L C 2.867 179.917 176.870 0.301 0.000 1.081 250 L CA 1.933 56.924 54.840 0.252 0.000 0.752 250 L CB -0.807 41.406 42.059 0.257 0.000 0.896 250 L HN 0.484 nan 8.230 nan 0.000 0.433 251 H N 0.026 119.154 119.070 0.096 0.000 2.293 251 H HA -0.198 4.386 4.556 0.047 0.000 0.300 251 H C 2.164 177.497 175.328 0.008 0.000 1.082 251 H CA 1.821 57.923 56.048 0.089 0.000 1.308 251 H CB 0.200 29.978 29.762 0.028 0.000 1.375 251 H HN 0.369 nan 8.280 nan 0.000 0.495 252 N N -0.168 118.358 118.700 -0.289 0.000 2.244 252 N HA -0.129 4.639 4.740 0.047 0.000 0.183 252 N C 1.925 177.267 175.510 -0.280 0.000 1.016 252 N CA 0.713 53.367 53.050 -0.660 0.000 0.866 252 N CB 0.268 37.838 38.487 -1.527 0.000 0.980 252 N HN 0.119 nan 8.380 nan 0.000 0.430 253 V N 1.484 121.457 119.914 0.098 0.000 2.407 253 V HA -0.229 3.920 4.120 0.047 0.000 0.248 253 V C 2.431 178.672 176.094 0.246 0.000 1.055 253 V CA 1.148 63.655 62.300 0.345 0.000 1.049 253 V CB -0.332 31.758 31.823 0.446 0.000 0.662 253 V HN 0.408 nan 8.190 nan 0.000 0.455 254 M N -1.567 118.214 119.600 0.302 0.000 2.108 254 M HA -0.212 4.297 4.480 0.047 0.000 0.261 254 M C 2.057 178.406 176.300 0.082 0.000 1.066 254 M CA 1.882 57.378 55.300 0.326 0.000 1.107 254 M CB -1.227 31.612 32.600 0.399 0.000 1.356 254 M HN 0.472 nan 8.290 nan 0.000 0.406 255 W N 0.331 121.408 121.300 -0.371 0.000 2.358 255 W HA -0.070 4.619 4.660 0.047 0.000 0.303 255 W C 2.766 179.235 176.519 -0.084 0.000 1.208 255 W CA 1.780 58.876 57.345 -0.415 0.000 1.274 255 W CB -0.933 28.179 29.460 -0.579 0.000 1.138 255 W HN 0.283 nan 8.180 nan 0.000 0.515 256 A N -0.646 122.271 122.820 0.163 0.000 1.930 256 A HA -0.179 4.169 4.320 0.047 0.000 0.217 256 A C 1.929 179.574 177.584 0.103 0.000 1.175 256 A CA 1.625 53.758 52.037 0.160 0.000 0.627 256 A CB -0.602 18.526 19.000 0.213 0.000 0.815 256 A HN 0.088 nan 8.150 nan 0.000 0.443 257 M N 0.768 120.388 119.600 0.033 0.000 2.476 257 M HA 0.005 4.513 4.480 0.047 0.000 0.262 257 M C 1.487 177.838 176.300 0.084 0.000 1.079 257 M CA 0.831 56.090 55.300 -0.068 0.000 1.104 257 M CB -1.432 30.880 32.600 -0.480 0.000 1.409 257 M HN 0.557 nan 8.290 nan 0.000 0.467 258 S N 0.146 115.956 115.700 0.183 0.000 2.641 258 S HA 0.099 4.598 4.470 0.047 0.000 0.261 258 S C 0.740 175.475 174.600 0.226 0.000 1.257 258 S CA -0.473 57.870 58.200 0.238 0.000 0.983 258 S CB 0.893 64.273 63.200 0.301 0.000 0.990 258 S HN 0.189 nan 8.310 nan 0.000 0.572 259 D N 0.148 120.699 120.400 0.253 0.000 2.378 259 D HA 0.028 4.697 4.640 0.047 0.000 0.222 259 D C 1.871 178.322 176.300 0.252 0.000 0.980 259 D CA 0.316 54.489 54.000 0.287 0.000 0.907 259 D CB -0.164 40.878 40.800 0.403 0.000 0.899 259 D HN 0.369 nan 8.370 nan 0.000 0.527 260 R N 0.307 120.947 120.500 0.233 0.000 2.127 260 R HA -0.060 4.308 4.340 0.047 0.000 0.238 260 R C 2.110 178.571 176.300 0.270 0.000 1.134 260 R CA 1.052 57.315 56.100 0.271 0.000 0.975 260 R CB -0.905 29.615 30.300 0.367 0.000 0.865 260 R HN 0.195 nan 8.270 nan 0.000 0.447 261 G N 1.320 110.266 108.800 0.244 0.000 2.625 261 G HA2 -0.051 3.937 3.960 0.047 0.000 0.214 261 G HA3 -0.051 3.937 3.960 0.047 0.000 0.214 261 G C 0.998 176.045 174.900 0.246 0.000 1.132 261 G CA 0.212 45.448 45.100 0.227 0.000 0.782 261 G HN 0.428 nan 8.290 nan 0.000 0.538 262 I N -2.172 118.554 120.570 0.261 0.000 2.926 262 I HA 0.347 4.545 4.170 0.047 0.000 0.295 262 I C -2.877 173.402 176.117 0.270 0.000 1.463 262 I CA -2.598 58.863 61.300 0.267 0.000 0.892 262 I CB 1.730 39.890 38.000 0.267 0.000 1.874 262 I HN -0.273 nan 8.210 nan 0.000 0.620 263 P HA 0.060 nan 4.420 nan 0.000 0.267 263 P C 0.619 178.070 177.300 0.253 0.000 1.200 263 P CA -0.110 63.111 63.100 0.202 0.000 0.772 263 P CB 1.120 32.873 31.700 0.089 0.000 0.855 264 R N 1.977 122.601 120.500 0.206 0.000 2.092 264 R HA 0.009 4.377 4.340 0.047 0.000 0.231 264 R C 0.468 176.916 176.300 0.245 0.000 1.119 264 R CA 1.589 57.854 56.100 0.276 0.000 0.970 264 R CB -0.324 30.104 30.300 0.213 0.000 0.864 264 R HN 0.558 nan 8.270 nan 0.000 0.440 265 S N -2.981 112.653 115.700 -0.110 0.000 2.567 265 S HA 0.208 4.706 4.470 0.047 0.000 0.270 265 S C -0.284 173.992 174.600 -0.540 0.000 1.152 265 S CA -0.887 57.053 58.200 -0.433 0.000 0.835 265 S CB 0.102 63.207 63.200 -0.158 0.000 1.115 265 S HN 0.100 nan 8.310 nan 0.000 0.459 266 Y N 1.876 121.801 120.300 -0.625 0.000 2.403 266 Y HA 0.098 4.675 4.550 0.046 0.000 0.291 266 Y C 2.428 177.988 175.900 -0.566 0.000 1.143 266 Y CA 1.113 58.738 58.100 -0.791 0.000 1.257 266 Y CB -0.369 37.264 38.460 -1.378 0.000 0.984 266 Y HN 0.570 nan 8.280 nan 0.000 0.550 267 R N -0.523 119.843 120.500 -0.223 0.000 2.189 267 R HA -0.055 4.313 4.340 0.047 0.000 0.223 267 R C 0.998 177.257 176.300 -0.069 0.000 1.092 267 R CA 1.544 57.565 56.100 -0.132 0.000 0.989 267 R CB -0.393 29.824 30.300 -0.139 0.000 0.876 267 R HN 0.323 nan 8.270 nan 0.000 0.457 268 T N -1.634 112.894 114.554 -0.042 0.000 3.313 268 T HA 0.377 4.755 4.350 0.047 0.000 0.263 268 T C 0.129 174.872 174.700 0.071 0.000 0.983 268 T CA -0.677 61.430 62.100 0.011 0.000 0.963 268 T CB -0.118 68.741 68.868 -0.015 0.000 1.141 268 T HN 0.071 nan 8.240 nan 0.000 0.526 269 M N -1.232 118.452 119.600 0.141 0.000 2.593 269 M HA 0.731 5.239 4.480 0.047 0.000 0.290 269 M C -1.224 175.255 176.300 0.298 0.000 1.244 269 M CA -0.887 54.536 55.300 0.204 0.000 0.857 269 M CB 2.197 34.913 32.600 0.194 0.000 1.738 269 M HN -0.131 nan 8.290 nan 0.000 0.461 270 E N 0.377 120.748 120.200 0.285 0.000 2.314 270 E HA 0.687 5.065 4.350 0.047 0.000 0.262 270 E C -0.350 176.326 176.600 0.127 0.000 1.093 270 E CA -0.628 55.878 56.400 0.176 0.000 0.908 270 E CB 1.767 31.517 29.700 0.084 0.000 1.091 270 E HN 0.864 nan 8.360 nan 0.000 0.425 271 G N 0.792 109.498 108.800 -0.158 0.000 2.571 271 G HA2 0.616 4.604 3.960 0.047 0.000 0.304 271 G HA3 0.616 4.604 3.960 0.047 0.000 0.304 271 G C -1.518 173.005 174.900 -0.628 0.000 1.314 271 G CA -0.467 44.546 45.100 -0.145 0.000 0.975 271 G HN 0.271 nan 8.290 nan 0.000 0.485 272 F N -0.093 119.809 119.950 -0.080 0.000 2.601 272 F HA 0.522 5.077 4.527 0.047 0.000 0.309 272 F C 1.116 176.834 175.800 -0.137 0.000 1.089 272 F CA -0.520 57.353 58.000 -0.212 0.000 0.940 272 F CB 2.639 41.459 39.000 -0.301 0.000 1.273 272 F HN 0.594 nan 8.300 nan 0.000 0.450 273 G N 0.850 109.717 108.800 0.111 0.000 2.712 273 G HA2 0.114 4.102 3.960 0.047 0.000 0.212 273 G HA3 0.114 4.102 3.960 0.047 0.000 0.212 273 G C 1.233 176.192 174.900 0.099 0.000 1.142 273 G CA 0.792 46.013 45.100 0.202 0.000 0.789 273 G HN 0.799 nan 8.290 nan 0.000 0.535 274 I N -0.985 119.561 120.570 -0.041 0.000 4.608 274 I HA -0.336 3.862 4.170 0.047 0.000 0.051 274 I C 0.634 176.593 176.117 -0.264 0.000 0.619 274 I CA 1.600 62.744 61.300 -0.261 0.000 0.844 274 I CB -1.205 36.530 38.000 -0.442 0.000 0.772 274 I HN 0.267 nan 8.210 nan 0.000 0.161 275 H N 2.143 121.206 119.070 -0.013 0.000 2.757 275 H HA 0.215 4.799 4.556 0.047 0.000 0.370 275 H C 0.126 175.358 175.328 -0.160 0.000 1.172 275 H CA 0.581 56.523 56.048 -0.176 0.000 1.426 275 H CB 0.306 29.788 29.762 -0.466 0.000 1.438 275 H HN 0.193 nan 8.280 nan 0.000 0.612 276 T N 3.664 118.157 114.554 -0.102 0.000 2.794 276 T HA 0.245 4.623 4.350 0.047 0.000 0.296 276 T C 0.220 174.820 174.700 -0.168 0.000 0.949 276 T CA 0.004 62.031 62.100 -0.122 0.000 1.101 276 T CB -0.096 68.652 68.868 -0.199 0.000 0.905 276 T HN 0.238 nan 8.240 nan 0.000 0.516 277 F N 1.346 121.230 119.950 -0.110 0.000 2.656 277 F HA 0.677 5.232 4.527 0.047 0.000 0.394 277 F C 0.994 176.738 175.800 -0.092 0.000 1.168 277 F CA -1.266 56.700 58.000 -0.058 0.000 1.135 277 F CB 1.362 40.300 39.000 -0.104 0.000 1.480 277 F HN 0.198 nan 8.300 nan 0.000 0.500 278 R N 0.393 120.949 120.500 0.093 0.000 2.750 278 R HA 0.660 5.028 4.340 0.047 0.000 0.281 278 R C -1.763 174.422 176.300 -0.191 0.000 0.972 278 R CA -0.918 55.109 56.100 -0.122 0.000 0.912 278 R CB 2.165 32.334 30.300 -0.219 0.000 1.187 278 R HN 0.424 nan 8.270 nan 0.000 0.464 279 L N 3.424 124.489 121.223 -0.264 0.000 2.322 279 L HA 0.538 4.907 4.340 0.047 0.000 0.281 279 L C -0.654 176.062 176.870 -0.257 0.000 1.014 279 L CA -0.904 53.789 54.840 -0.246 0.000 0.815 279 L CB 1.529 43.448 42.059 -0.233 0.000 1.247 279 L HN 0.374 nan 8.230 nan 0.000 0.421 280 I N 3.114 123.553 120.570 -0.218 0.000 2.418 280 I HA 0.268 4.467 4.170 0.047 0.000 0.287 280 I C -0.212 175.817 176.117 -0.147 0.000 1.008 280 I CA -0.703 60.470 61.300 -0.211 0.000 1.104 280 I CB 1.355 39.235 38.000 -0.201 0.000 1.264 280 I HN 0.613 nan 8.210 nan 0.000 0.438 281 N N 4.970 123.596 118.700 -0.124 0.000 2.448 281 N HA 0.366 5.134 4.740 0.047 0.000 0.274 281 N C 0.893 176.361 175.510 -0.070 0.000 1.239 281 N CA -0.360 52.638 53.050 -0.087 0.000 0.982 281 N CB 0.560 39.004 38.487 -0.071 0.000 1.199 281 N HN 0.517 nan 8.380 nan 0.000 0.576 282 A N -0.668 122.121 122.820 -0.053 0.000 2.019 282 A HA -0.115 4.233 4.320 0.047 0.000 0.219 282 A C 1.440 179.004 177.584 -0.034 0.000 1.164 282 A CA 1.299 53.311 52.037 -0.041 0.000 0.644 282 A CB -0.732 18.250 19.000 -0.030 0.000 0.805 282 A HN 0.727 nan 8.150 nan 0.000 0.449 283 E N -1.418 118.762 120.200 -0.033 0.000 2.481 283 E HA 0.272 4.650 4.350 0.047 0.000 0.195 283 E C 1.296 177.885 176.600 -0.018 0.000 1.047 283 E CA 0.777 57.163 56.400 -0.024 0.000 0.867 283 E CB -0.146 29.540 29.700 -0.022 0.000 0.858 283 E HN 0.744 nan 8.360 nan 0.000 0.513 284 G N 1.010 109.796 108.800 -0.023 0.000 2.175 284 G HA2 -0.345 3.643 3.960 0.047 0.000 0.244 284 G HA3 -0.345 3.643 3.960 0.047 0.000 0.244 284 G C 0.314 175.232 174.900 0.029 0.000 0.982 284 G CA 0.233 45.339 45.100 0.010 0.000 0.641 284 G HN 0.289 nan 8.290 nan 0.000 0.527 285 K N 0.887 121.265 120.400 -0.038 0.000 2.322 285 K HA 0.662 5.010 4.320 0.047 0.000 0.283 285 K C 0.544 177.005 176.600 -0.232 0.000 1.042 285 K CA 0.191 56.427 56.287 -0.085 0.000 0.958 285 K CB 0.613 33.067 32.500 -0.077 0.000 0.984 285 K HN 0.603 nan 8.250 nan 0.000 0.473 286 A N 3.410 125.984 122.820 -0.409 0.000 2.301 286 A HA 0.443 4.791 4.320 0.047 0.000 0.312 286 A C -0.787 176.492 177.584 -0.509 0.000 1.182 286 A CA -0.521 51.117 52.037 -0.666 0.000 0.826 286 A CB 1.186 19.378 19.000 -1.346 0.000 1.134 286 A HN 0.737 nan 8.150 nan 0.000 0.501 287 T N 2.209 116.496 114.554 -0.445 0.000 2.848 287 T HA 0.527 4.905 4.350 0.047 0.000 0.285 287 T C -0.717 173.782 174.700 -0.336 0.000 0.995 287 T CA -0.106 61.790 62.100 -0.340 0.000 0.970 287 T CB 0.458 69.213 68.868 -0.188 0.000 0.976 287 T HN 0.340 nan 8.240 nan 0.000 0.441 288 F N 2.140 121.991 119.950 -0.165 0.000 2.471 288 F HA 0.528 5.083 4.527 0.047 0.000 0.353 288 F C 0.564 176.238 175.800 -0.210 0.000 1.113 288 F CA -0.437 57.458 58.000 -0.175 0.000 1.262 288 F CB 0.722 39.637 39.000 -0.141 0.000 1.146 288 F HN 0.193 nan 8.300 nan 0.000 0.578 289 V N 4.815 124.682 119.914 -0.079 0.000 2.888 289 V HA 0.590 4.738 4.120 0.047 0.000 0.309 289 V C -1.019 174.841 176.094 -0.389 0.000 1.114 289 V CA -0.779 61.330 62.300 -0.320 0.000 0.940 289 V CB 2.098 33.517 31.823 -0.673 0.000 1.021 289 V HN 0.758 nan 8.190 nan 0.000 0.426 290 R N 4.871 125.203 120.500 -0.279 0.000 2.494 290 R HA 0.540 4.909 4.340 0.047 0.000 0.305 290 R C -1.627 174.624 176.300 -0.081 0.000 0.959 290 R CA -0.459 55.533 56.100 -0.179 0.000 0.864 290 R CB 1.947 32.257 30.300 0.016 0.000 1.159 290 R HN 0.594 nan 8.270 nan 0.000 0.446 291 F N 2.547 122.552 119.950 0.092 0.000 2.394 291 F HA 0.337 4.892 4.527 0.047 0.000 0.340 291 F C 1.012 176.757 175.800 -0.093 0.000 1.105 291 F CA -0.068 57.952 58.000 0.034 0.000 1.124 291 F CB 0.807 39.725 39.000 -0.136 0.000 1.145 291 F HN 0.217 nan 8.300 nan 0.000 0.505 292 H N 1.226 120.313 119.070 0.029 0.000 2.690 292 H HA 0.272 4.856 4.556 0.047 0.000 0.368 292 H C -1.495 173.592 175.328 -0.402 0.000 1.150 292 H CA -0.977 54.970 56.048 -0.168 0.000 1.174 292 H CB 1.974 31.729 29.762 -0.012 0.000 1.684 292 H HN 0.668 nan 8.280 nan 0.000 0.538 293 W N 2.295 123.498 121.300 -0.163 0.000 2.538 293 W HA 0.312 5.000 4.660 0.047 0.000 0.322 293 W C -0.132 176.415 176.519 0.048 0.000 1.028 293 W CA -0.763 56.527 57.345 -0.092 0.000 1.228 293 W CB 1.741 30.960 29.460 -0.401 0.000 1.356 293 W HN 0.285 nan 8.180 nan 0.000 0.452 294 K N 5.481 126.150 120.400 0.447 0.000 2.185 294 K HA 0.432 4.780 4.320 0.047 0.000 0.269 294 K C -2.438 174.398 176.600 0.393 0.000 0.987 294 K CA -1.907 54.582 56.287 0.338 0.000 0.865 294 K CB 1.512 34.162 32.500 0.249 0.000 1.090 294 K HN 0.026 nan 8.250 nan 0.000 0.450 295 P HA 0.079 nan 4.420 nan 0.000 0.282 295 P C 0.212 177.532 177.300 0.033 0.000 1.274 295 P CA -0.112 63.068 63.100 0.134 0.000 0.770 295 P CB 0.731 32.517 31.700 0.143 0.000 0.867 296 L N 2.498 123.684 121.223 -0.061 0.000 2.465 296 L HA -0.030 4.338 4.340 0.047 0.000 0.224 296 L C 2.079 178.931 176.870 -0.030 0.000 1.145 296 L CA 0.916 55.749 54.840 -0.013 0.000 0.834 296 L CB -0.499 41.560 42.059 -0.001 0.000 0.944 296 L HN 0.342 nan 8.230 nan 0.000 0.451 297 A N -0.017 122.759 122.820 -0.073 0.000 2.251 297 A HA 0.441 4.789 4.320 0.047 0.000 0.209 297 A C 1.225 178.806 177.584 -0.005 0.000 1.187 297 A CA 0.600 52.610 52.037 -0.046 0.000 0.823 297 A CB -0.341 18.613 19.000 -0.076 0.000 0.846 297 A HN 0.430 nan 8.150 nan 0.000 0.486 298 G N -0.501 108.312 108.800 0.022 0.000 2.756 298 G HA2 -0.132 3.856 3.960 0.047 0.000 0.678 298 G HA3 -0.132 3.856 3.960 0.047 0.000 0.678 298 G C -0.651 174.282 174.900 0.055 0.000 1.349 298 G CA -0.474 44.658 45.100 0.054 0.000 0.847 298 G HN 0.460 nan 8.290 nan 0.000 0.548 299 K N 0.148 120.589 120.400 0.067 0.000 2.201 299 K HA 0.705 5.054 4.320 0.047 0.000 0.278 299 K C 0.224 176.831 176.600 0.012 0.000 1.027 299 K CA 0.248 56.561 56.287 0.043 0.000 0.909 299 K CB 1.719 34.234 32.500 0.024 0.000 1.062 299 K HN 1.491 nan 8.250 nan 0.000 0.465 300 A N 1.786 124.602 122.820 -0.008 0.000 2.513 300 A HA 0.541 4.889 4.320 0.047 0.000 0.296 300 A C -1.132 176.506 177.584 0.091 0.000 1.052 300 A CA -0.689 51.307 52.037 -0.068 0.000 0.714 300 A CB 1.625 20.385 19.000 -0.401 0.000 1.279 300 A HN 0.509 nan 8.150 nan 0.000 0.397 301 S N 0.765 116.675 115.700 0.350 0.000 2.634 301 S HA 0.771 5.269 4.470 0.047 0.000 0.296 301 S C 0.060 174.982 174.600 0.536 0.000 1.104 301 S CA -0.618 57.824 58.200 0.402 0.000 0.920 301 S CB 1.197 64.627 63.200 0.382 0.000 1.111 301 S HN 0.646 nan 8.310 nan 0.000 0.493 302 L N 1.209 122.639 121.223 0.345 0.000 2.540 302 L HA 0.561 4.929 4.340 0.047 0.000 0.215 302 L C 0.020 177.013 176.870 0.204 0.000 1.204 302 L CA -0.801 54.166 54.840 0.212 0.000 0.841 302 L CB 0.091 42.182 42.059 0.054 0.000 1.420 302 L HN 0.483 nan 8.230 nan 0.000 0.519 303 V N -3.262 116.666 119.914 0.023 0.000 2.769 303 V HA 0.178 4.326 4.120 0.047 0.000 0.312 303 V C 0.672 176.711 176.094 -0.090 0.000 1.058 303 V CA -0.829 61.455 62.300 -0.027 0.000 0.952 303 V CB 1.600 33.373 31.823 -0.083 0.000 1.019 303 V HN 0.925 nan 8.190 nan 0.000 0.445 304 W N 2.213 123.386 121.300 -0.212 0.000 2.302 304 W HA -0.263 4.425 4.660 0.046 0.000 0.320 304 W C 1.760 178.124 176.519 -0.258 0.000 1.241 304 W CA 2.701 59.912 57.345 -0.222 0.000 1.264 304 W CB -0.111 29.203 29.460 -0.243 0.000 1.154 304 W HN 1.010 nan 8.180 nan 0.000 0.483 305 D N 0.095 120.197 120.400 -0.497 0.000 2.149 305 D HA -0.280 4.388 4.640 0.047 0.000 0.198 305 D C 2.161 178.097 176.300 -0.608 0.000 0.990 305 D CA 2.112 55.796 54.000 -0.527 0.000 0.839 305 D CB -0.485 40.259 40.800 -0.093 0.000 0.948 305 D HN 0.378 nan 8.370 nan 0.000 0.460 306 E N -0.422 119.287 120.200 -0.818 0.000 2.047 306 E HA -0.175 4.203 4.350 0.047 0.000 0.191 306 E C 2.033 178.290 176.600 -0.573 0.000 0.987 306 E CA 0.939 56.818 56.400 -0.868 0.000 0.799 306 E CB -0.195 28.871 29.700 -1.057 0.000 0.752 306 E HN 0.293 nan 8.360 nan 0.000 0.449 307 A N 1.338 123.844 122.820 -0.523 0.000 1.865 307 A HA -0.284 4.064 4.320 0.047 0.000 0.217 307 A C 2.202 179.460 177.584 -0.543 0.000 1.191 307 A CA 1.941 53.717 52.037 -0.434 0.000 0.623 307 A CB -0.827 18.022 19.000 -0.252 0.000 0.826 307 A HN 0.434 nan 8.150 nan 0.000 0.444 308 Q N -0.392 118.876 119.800 -0.886 0.000 2.050 308 Q HA -0.209 4.159 4.340 0.047 0.000 0.202 308 Q C 2.057 177.777 176.000 -0.466 0.000 0.980 308 Q CA 1.894 57.202 55.803 -0.826 0.000 0.840 308 Q CB -0.130 27.840 28.738 -1.280 0.000 0.898 308 Q HN 0.702 nan 8.270 nan 0.000 0.424 309 K N 0.088 120.236 120.400 -0.420 0.000 2.097 309 K HA -0.166 4.182 4.320 0.047 0.000 0.206 309 K C 2.057 178.515 176.600 -0.237 0.000 1.049 309 K CA 0.923 57.057 56.287 -0.256 0.000 0.933 309 K CB -0.166 32.229 32.500 -0.176 0.000 0.717 309 K HN 0.151 nan 8.250 nan 0.000 0.442 310 L N 1.659 122.698 121.223 -0.305 0.000 2.191 310 L HA -0.152 4.216 4.340 0.047 0.000 0.212 310 L C 2.341 179.070 176.870 -0.235 0.000 1.103 310 L CA 1.974 56.627 54.840 -0.311 0.000 0.769 310 L CB -0.978 40.803 42.059 -0.465 0.000 0.908 310 L HN 0.333 nan 8.230 nan 0.000 0.438 311 T N -4.387 110.033 114.554 -0.223 0.000 2.833 311 T HA -0.083 4.295 4.350 0.047 0.000 0.269 311 T C 1.872 176.506 174.700 -0.110 0.000 1.054 311 T CA 1.033 63.044 62.100 -0.148 0.000 1.135 311 T CB -1.015 67.777 68.868 -0.126 0.000 0.869 311 T HN 0.374 nan 8.240 nan 0.000 0.466 312 G N 1.216 109.945 108.800 -0.118 0.000 2.408 312 G HA2 -0.013 3.975 3.960 0.047 0.000 0.213 312 G HA3 -0.013 3.975 3.960 0.047 0.000 0.213 312 G C 1.922 176.778 174.900 -0.074 0.000 1.177 312 G CA -0.199 44.849 45.100 -0.086 0.000 0.802 312 G HN 0.314 nan 8.290 nan 0.000 0.533 313 R N 0.347 120.794 120.500 -0.088 0.000 2.073 313 R HA 0.025 4.393 4.340 0.047 0.000 0.229 313 R C -0.083 176.191 176.300 -0.044 0.000 1.120 313 R CA 0.957 57.017 56.100 -0.065 0.000 0.967 313 R CB -0.307 29.947 30.300 -0.077 0.000 0.862 313 R HN 0.348 nan 8.270 nan 0.000 0.436 314 D N -0.388 119.980 120.400 -0.053 0.000 2.381 314 D HA 0.154 4.822 4.640 0.047 0.000 0.245 314 D C -2.088 174.213 176.300 0.001 0.000 1.297 314 D CA -1.908 52.095 54.000 0.004 0.000 0.931 314 D CB 1.358 42.212 40.800 0.089 0.000 1.334 314 D HN -0.151 nan 8.370 nan 0.000 0.535 315 P HA -0.012 nan 4.420 nan 0.000 0.225 315 P C 0.072 177.376 177.300 0.007 0.000 1.148 315 P CA 0.716 63.803 63.100 -0.022 0.000 0.779 315 P CB 0.481 32.166 31.700 -0.026 0.000 0.780 316 D N -1.491 118.925 120.400 0.027 0.000 2.427 316 D HA 0.078 4.746 4.640 0.047 0.000 0.224 316 D C 1.185 177.527 176.300 0.070 0.000 1.157 316 D CA -0.432 53.591 54.000 0.039 0.000 0.828 316 D CB -0.606 40.194 40.800 0.001 0.000 0.974 316 D HN 0.118 nan 8.370 nan 0.000 0.498 317 F N 1.149 121.046 119.950 -0.088 0.000 2.126 317 F HA -0.220 4.334 4.527 0.046 0.000 0.299 317 F C 2.068 177.850 175.800 -0.030 0.000 1.096 317 F CA 1.831 59.779 58.000 -0.088 0.000 1.255 317 F CB 0.082 38.979 39.000 -0.172 0.000 0.997 317 F HN 0.121 nan 8.300 nan 0.000 0.479 318 H N -1.248 117.761 119.070 -0.101 0.000 2.395 318 H HA -0.079 4.505 4.556 0.047 0.000 0.299 318 H C 2.367 177.597 175.328 -0.163 0.000 1.070 318 H CA 0.838 56.678 56.048 -0.347 0.000 1.356 318 H CB -0.067 29.304 29.762 -0.653 0.000 1.401 318 H HN 0.181 nan 8.280 nan 0.000 0.524 319 R N 1.284 121.879 120.500 0.159 0.000 2.073 319 R HA -0.125 4.243 4.340 0.047 0.000 0.234 319 R C 2.446 178.852 176.300 0.176 0.000 1.134 319 R CA 1.323 57.568 56.100 0.243 0.000 0.952 319 R CB -0.030 30.401 30.300 0.217 0.000 0.850 319 R HN 0.178 nan 8.270 nan 0.000 0.433 320 R N 0.336 120.865 120.500 0.049 0.000 2.073 320 R HA -0.156 4.213 4.340 0.047 0.000 0.234 320 R C 2.198 178.493 176.300 -0.008 0.000 1.134 320 R CA 1.751 57.859 56.100 0.014 0.000 0.952 320 R CB -0.252 30.014 30.300 -0.057 0.000 0.850 320 R HN 0.268 nan 8.270 nan 0.000 0.433 321 E N 0.725 120.812 120.200 -0.189 0.000 2.077 321 E HA -0.206 4.172 4.350 0.047 0.000 0.193 321 E C 2.002 178.571 176.600 -0.052 0.000 0.989 321 E CA 1.150 57.414 56.400 -0.227 0.000 0.800 321 E CB -0.105 29.299 29.700 -0.493 0.000 0.746 321 E HN 0.283 nan 8.360 nan 0.000 0.452 322 L N 0.753 121.990 121.223 0.022 0.000 2.027 322 L HA -0.138 4.230 4.340 0.047 0.000 0.206 322 L C 2.295 179.264 176.870 0.165 0.000 1.074 322 L CA 1.850 56.750 54.840 0.100 0.000 0.745 322 L CB -0.943 41.234 42.059 0.197 0.000 0.898 322 L HN 0.295 nan 8.230 nan 0.000 0.433 323 W N 0.899 122.234 121.300 0.059 0.000 2.335 323 W HA -0.231 4.458 4.660 0.048 0.000 0.311 323 W C 2.240 178.788 176.519 0.049 0.000 1.213 323 W CA 2.276 59.667 57.345 0.076 0.000 1.274 323 W CB -0.104 29.403 29.460 0.079 0.000 1.148 323 W HN 0.358 nan 8.180 nan 0.000 0.498 324 E N -0.110 120.255 120.200 0.275 0.000 2.106 324 E HA -0.138 4.241 4.350 0.047 0.000 0.192 324 E C 2.362 178.990 176.600 0.047 0.000 0.984 324 E CA 1.064 57.550 56.400 0.142 0.000 0.806 324 E CB -0.377 29.362 29.700 0.066 0.000 0.750 324 E HN 0.182 nan 8.360 nan 0.000 0.458 325 A N 1.343 124.187 122.820 0.040 0.000 1.883 325 A HA -0.201 4.148 4.320 0.047 0.000 0.217 325 A C 2.167 179.769 177.584 0.030 0.000 1.186 325 A CA 1.202 53.255 52.037 0.027 0.000 0.624 325 A CB -0.619 18.396 19.000 0.025 0.000 0.822 325 A HN 0.149 nan 8.150 nan 0.000 0.444 326 I N -0.576 120.035 120.570 0.068 0.000 2.286 326 I HA -0.237 3.961 4.170 0.047 0.000 0.248 326 I C 2.484 178.667 176.117 0.110 0.000 1.115 326 I CA 1.430 62.826 61.300 0.160 0.000 1.392 326 I CB -0.388 37.636 38.000 0.040 0.000 1.065 326 I HN 0.429 nan 8.210 nan 0.000 0.418 327 E N 0.738 120.947 120.200 0.015 0.000 2.150 327 E HA -0.180 4.198 4.350 0.047 0.000 0.193 327 E C 2.195 178.806 176.600 0.018 0.000 0.985 327 E CA 1.214 57.633 56.400 0.031 0.000 0.814 327 E CB -0.059 29.689 29.700 0.080 0.000 0.752 327 E HN 0.508 nan 8.360 nan 0.000 0.466 328 A N -0.087 122.720 122.820 -0.021 0.000 2.123 328 A HA 0.196 4.544 4.320 0.047 0.000 0.214 328 A C 1.789 179.301 177.584 -0.120 0.000 1.152 328 A CA 1.063 53.069 52.037 -0.053 0.000 0.728 328 A CB 0.019 18.981 19.000 -0.062 0.000 0.814 328 A HN 0.345 nan 8.150 nan 0.000 0.464 329 G N -0.634 108.005 108.800 -0.269 0.000 2.176 329 G HA2 -0.176 3.813 3.960 0.047 0.000 0.232 329 G HA3 -0.176 3.813 3.960 0.047 0.000 0.232 329 G C -0.203 174.201 174.900 -0.826 0.000 0.986 329 G CA 0.206 44.859 45.100 -0.746 0.000 0.643 329 G HN 0.415 nan 8.290 nan 0.000 0.522 330 D N 1.146 121.315 120.400 -0.385 0.000 2.994 330 D HA 0.267 4.935 4.640 0.047 0.000 0.240 330 D C 0.720 176.943 176.300 -0.128 0.000 1.195 330 D CA -0.135 53.739 54.000 -0.210 0.000 0.957 330 D CB -0.709 40.070 40.800 -0.036 0.000 1.105 330 D HN 0.439 nan 8.370 nan 0.000 0.477 331 F N 1.349 121.298 119.950 -0.001 0.000 2.602 331 F HA 0.092 4.647 4.527 0.047 0.000 0.385 331 F C -1.411 174.357 175.800 -0.053 0.000 1.063 331 F CA -1.936 56.055 58.000 -0.014 0.000 1.233 331 F CB -0.099 38.905 39.000 0.006 0.000 1.067 331 F HN -0.102 nan 8.300 nan 0.000 0.564 332 P HA 0.018 nan 4.420 nan 0.000 0.263 332 P C -1.026 176.205 177.300 -0.115 0.000 1.195 332 P CA 0.350 63.423 63.100 -0.044 0.000 0.762 332 P CB 0.452 32.193 31.700 0.069 0.000 0.799 333 E N 2.529 122.524 120.200 -0.342 0.000 2.248 333 E HA 0.433 4.811 4.350 0.047 0.000 0.267 333 E C -1.051 175.268 176.600 -0.467 0.000 0.877 333 E CA -0.576 55.681 56.400 -0.238 0.000 0.759 333 E CB 1.504 31.164 29.700 -0.068 0.000 1.182 333 E HN 0.386 nan 8.360 nan 0.000 0.418 334 Y N 0.355 120.731 120.300 0.126 0.000 2.477 334 Y HA 0.251 4.829 4.550 0.047 0.000 0.347 334 Y C -0.206 175.931 175.900 0.396 0.000 0.981 334 Y CA -0.968 57.281 58.100 0.249 0.000 1.033 334 Y CB 2.046 40.630 38.460 0.206 0.000 1.245 334 Y HN 0.462 nan 8.280 nan 0.000 0.455 335 E N 2.911 123.449 120.200 0.563 0.000 2.109 335 E HA 0.373 4.751 4.350 0.047 0.000 0.278 335 E C -1.432 175.446 176.600 0.463 0.000 0.954 335 E CA -0.952 55.726 56.400 0.462 0.000 0.779 335 E CB 0.966 30.870 29.700 0.340 0.000 1.093 335 E HN 0.601 nan 8.360 nan 0.000 0.401 336 L N 4.297 125.731 121.223 0.353 0.000 2.416 336 L HA 0.474 4.842 4.340 0.047 0.000 0.272 336 L C -0.032 176.775 176.870 -0.105 0.000 1.161 336 L CA 0.748 55.491 54.840 -0.162 0.000 0.845 336 L CB 0.993 42.884 42.059 -0.280 0.000 1.119 336 L HN 0.582 nan 8.230 nan 0.000 0.464 337 G N 4.378 113.124 108.800 -0.090 0.000 2.667 337 G HA2 0.557 4.545 3.960 0.047 0.000 0.298 337 G HA3 0.557 4.545 3.960 0.047 0.000 0.298 337 G C -1.636 173.393 174.900 0.217 0.000 1.377 337 G CA -0.528 44.563 45.100 -0.015 0.000 0.964 337 G HN 0.469 nan 8.290 nan 0.000 0.493 338 F N 0.148 120.117 119.950 0.031 0.000 2.520 338 F HA 0.421 4.976 4.527 0.047 0.000 0.322 338 F C 0.352 176.143 175.800 -0.015 0.000 1.103 338 F CA -0.981 57.041 58.000 0.038 0.000 0.926 338 F CB 2.661 41.673 39.000 0.021 0.000 1.154 338 F HN 0.121 nan 8.300 nan 0.000 0.453 339 Q N 4.103 124.013 119.800 0.184 0.000 2.303 339 Q HA 0.513 4.881 4.340 0.047 0.000 0.257 339 Q C -1.153 174.884 176.000 0.060 0.000 0.941 339 Q CA -0.513 55.340 55.803 0.083 0.000 0.931 339 Q CB 2.130 30.921 28.738 0.088 0.000 1.215 339 Q HN 0.532 nan 8.270 nan 0.000 0.437 340 L N 4.146 125.412 121.223 0.071 0.000 2.341 340 L HA 0.584 4.952 4.340 0.047 0.000 0.278 340 L C -0.857 176.059 176.870 0.076 0.000 1.005 340 L CA -0.798 54.073 54.840 0.051 0.000 0.818 340 L CB 1.308 43.406 42.059 0.065 0.000 1.259 340 L HN 0.499 nan 8.230 nan 0.000 0.418 341 I N 4.360 124.990 120.570 0.100 0.000 2.447 341 I HA 0.415 4.613 4.170 0.047 0.000 0.287 341 I C -2.296 173.923 176.117 0.170 0.000 1.023 341 I CA -1.874 59.525 61.300 0.165 0.000 1.083 341 I CB 1.843 39.960 38.000 0.195 0.000 1.245 341 I HN 0.304 nan 8.210 nan 0.000 0.434 342 P HA 0.030 nan 4.420 nan 0.000 0.268 342 P C 0.699 178.050 177.300 0.085 0.000 1.208 342 P CA -0.103 63.025 63.100 0.046 0.000 0.777 342 P CB 0.821 32.545 31.700 0.039 0.000 0.875 343 E N 2.315 122.469 120.200 -0.078 0.000 2.118 343 E HA -0.247 4.131 4.350 0.047 0.000 0.195 343 E C 1.340 178.008 176.600 0.114 0.000 0.992 343 E CA 1.077 57.417 56.400 -0.101 0.000 0.804 343 E CB 0.010 29.571 29.700 -0.231 0.000 0.741 343 E HN 0.495 nan 8.360 nan 0.000 0.458 344 E N 0.188 120.435 120.200 0.078 0.000 2.516 344 E HA -0.153 4.225 4.350 0.047 0.000 0.199 344 E C 0.258 176.922 176.600 0.106 0.000 1.069 344 E CA 0.683 57.142 56.400 0.099 0.000 0.876 344 E CB 0.103 29.842 29.700 0.064 0.000 0.843 344 E HN 0.234 nan 8.360 nan 0.000 0.530 345 D N 1.278 121.750 120.400 0.120 0.000 2.363 345 D HA -0.008 4.660 4.640 0.047 0.000 0.214 345 D C 1.368 177.722 176.300 0.090 0.000 1.093 345 D CA 0.040 54.097 54.000 0.095 0.000 0.837 345 D CB 0.212 41.087 40.800 0.125 0.000 0.948 345 D HN 0.431 nan 8.370 nan 0.000 0.507 346 E N -0.028 120.189 120.200 0.029 0.000 2.114 346 E HA -0.207 4.171 4.350 0.047 0.000 0.199 346 E C 0.427 176.713 176.600 -0.523 0.000 1.008 346 E CA 1.158 57.361 56.400 -0.328 0.000 0.810 346 E CB -0.029 29.341 29.700 -0.550 0.000 0.739 346 E HN 0.250 nan 8.360 nan 0.000 0.456 347 F N -0.104 119.865 119.950 0.032 0.000 2.668 347 F HA 0.278 4.834 4.527 0.047 0.000 0.297 347 F C 1.231 176.982 175.800 -0.082 0.000 1.124 347 F CA -0.204 57.786 58.000 -0.017 0.000 1.353 347 F CB 0.535 39.529 39.000 -0.010 0.000 0.992 347 F HN -0.160 nan 8.300 nan 0.000 0.524 348 K N -0.059 120.298 120.400 -0.072 0.000 2.444 348 K HA 0.124 4.473 4.320 0.047 0.000 0.193 348 K C -0.177 176.051 176.600 -0.619 0.000 1.024 348 K CA 0.272 56.356 56.287 -0.340 0.000 1.077 348 K CB 0.202 32.435 32.500 -0.444 0.000 0.833 348 K HN 0.152 nan 8.250 nan 0.000 0.517 349 F N 0.145 119.948 119.950 -0.245 0.000 2.457 349 F HA 0.142 4.698 4.527 0.047 0.000 0.330 349 F C 1.289 176.913 175.800 -0.293 0.000 1.069 349 F CA -0.930 56.834 58.000 -0.393 0.000 1.009 349 F CB 0.767 39.169 39.000 -0.997 0.000 1.276 349 F HN -0.194 nan 8.300 nan 0.000 0.492 350 D N 0.304 120.722 120.400 0.029 0.000 2.348 350 D HA -0.002 4.666 4.640 0.047 0.000 0.216 350 D C -0.269 176.143 176.300 0.186 0.000 0.970 350 D CA 1.004 55.086 54.000 0.137 0.000 0.889 350 D CB -0.186 40.779 40.800 0.275 0.000 0.912 350 D HN 0.261 nan 8.370 nan 0.000 0.524 351 F N -1.286 118.740 119.950 0.126 0.000 2.611 351 F HA 0.488 5.043 4.527 0.047 0.000 0.324 351 F C -0.169 175.609 175.800 -0.038 0.000 1.061 351 F CA -1.591 56.403 58.000 -0.011 0.000 0.954 351 F CB 0.905 39.854 39.000 -0.085 0.000 1.301 351 F HN -0.410 nan 8.300 nan 0.000 0.482 352 D N 1.589 121.977 120.400 -0.020 0.000 2.264 352 D HA 0.222 4.890 4.640 0.047 0.000 0.250 352 D C 0.966 177.171 176.300 -0.159 0.000 1.113 352 D CA -0.139 53.787 54.000 -0.123 0.000 0.871 352 D CB 1.544 42.288 40.800 -0.093 0.000 1.167 352 D HN 0.747 nan 8.370 nan 0.000 0.447 353 L N 3.342 124.401 121.223 -0.274 0.000 2.191 353 L HA -0.120 4.248 4.340 0.047 0.000 0.212 353 L C 2.012 178.724 176.870 -0.262 0.000 1.103 353 L CA 0.660 55.320 54.840 -0.300 0.000 0.769 353 L CB -0.159 41.574 42.059 -0.543 0.000 0.908 353 L HN 0.438 nan 8.230 nan 0.000 0.438 354 L N -0.799 120.294 121.223 -0.218 0.000 2.599 354 L HA 0.044 4.412 4.340 0.047 0.000 0.230 354 L C 0.444 177.232 176.870 -0.137 0.000 1.141 354 L CA -0.069 54.717 54.840 -0.090 0.000 0.877 354 L CB -0.374 41.740 42.059 0.091 0.000 1.009 354 L HN 0.124 nan 8.230 nan 0.000 0.447 355 D N 1.633 121.726 120.400 -0.512 0.000 2.313 355 D HA 0.127 4.795 4.640 0.047 0.000 0.239 355 D C -1.634 174.454 176.300 -0.354 0.000 1.142 355 D CA -2.297 51.178 54.000 -0.875 0.000 0.847 355 D CB 1.667 41.712 40.800 -1.258 0.000 1.082 355 D HN -0.095 nan 8.370 nan 0.000 0.480 356 P HA -0.020 nan 4.420 nan 0.000 0.245 356 P C 0.833 178.045 177.300 -0.147 0.000 1.212 356 P CA 0.579 63.616 63.100 -0.106 0.000 0.774 356 P CB -0.021 31.701 31.700 0.036 0.000 0.999 357 T N -4.489 109.970 114.554 -0.158 0.000 3.086 357 T HA 0.161 4.539 4.350 0.047 0.000 0.250 357 T C 0.704 175.328 174.700 -0.125 0.000 1.074 357 T CA -0.101 61.921 62.100 -0.130 0.000 0.988 357 T CB -0.173 68.665 68.868 -0.049 0.000 0.988 357 T HN -0.139 nan 8.240 nan 0.000 0.530 358 K N 2.212 122.440 120.400 -0.288 0.000 2.244 358 K HA 0.559 4.907 4.320 0.047 0.000 0.260 358 K C -0.378 176.043 176.600 -0.299 0.000 0.951 358 K CA -0.799 55.188 56.287 -0.500 0.000 0.826 358 K CB 2.232 34.324 32.500 -0.680 0.000 1.108 358 K HN 0.289 nan 8.250 nan 0.000 0.433 359 L N -0.230 120.956 121.223 -0.062 0.000 2.400 359 L HA 0.652 5.020 4.340 0.047 0.000 0.264 359 L C -0.015 176.677 176.870 -0.297 0.000 1.061 359 L CA -0.476 54.271 54.840 -0.154 0.000 0.799 359 L CB 0.319 42.344 42.059 -0.056 0.000 1.240 359 L HN 0.454 nan 8.230 nan 0.000 0.461 360 I N 1.425 121.912 120.570 -0.139 0.000 2.337 360 I HA 0.359 4.558 4.170 0.047 0.000 0.285 360 I C -2.133 174.003 176.117 0.032 0.000 1.041 360 I CA -1.734 59.541 61.300 -0.041 0.000 1.199 360 I CB 1.095 39.094 38.000 -0.003 0.000 1.370 360 I HN 0.452 nan 8.210 nan 0.000 0.470 361 P HA -0.032 nan 4.420 nan 0.000 0.263 361 P C 0.376 177.742 177.300 0.110 0.000 1.175 361 P CA 0.289 63.433 63.100 0.074 0.000 0.761 361 P CB 0.578 32.317 31.700 0.066 0.000 0.794 362 E N 1.836 122.107 120.200 0.118 0.000 2.268 362 E HA -0.185 4.193 4.350 0.047 0.000 0.195 362 E C 1.393 178.048 176.600 0.091 0.000 0.995 362 E CA 0.727 57.187 56.400 0.099 0.000 0.836 362 E CB -0.016 29.745 29.700 0.101 0.000 0.763 362 E HN 0.516 nan 8.360 nan 0.000 0.491 363 E N 0.401 120.656 120.200 0.092 0.000 2.204 363 E HA -0.137 4.241 4.350 0.047 0.000 0.195 363 E C 2.050 178.714 176.600 0.107 0.000 0.990 363 E CA 0.730 57.180 56.400 0.085 0.000 0.821 363 E CB 0.080 29.823 29.700 0.072 0.000 0.750 363 E HN 0.372 nan 8.360 nan 0.000 0.477 364 L N -0.309 121.002 121.223 0.148 0.000 2.168 364 L HA 0.037 4.405 4.340 0.047 0.000 0.203 364 L C 0.649 177.641 176.870 0.203 0.000 1.078 364 L CA 0.468 55.434 54.840 0.210 0.000 0.780 364 L CB 0.400 42.668 42.059 0.347 0.000 0.939 364 L HN -0.197 nan 8.230 nan 0.000 0.451 365 V N 1.155 121.166 119.914 0.163 0.000 2.445 365 V HA 0.309 4.457 4.120 0.047 0.000 0.283 365 V C -2.405 173.735 176.094 0.077 0.000 1.014 365 V CA -1.485 60.891 62.300 0.127 0.000 0.852 365 V CB 1.376 33.266 31.823 0.112 0.000 1.021 365 V HN -0.044 nan 8.190 nan 0.000 0.435 366 P HA 0.164 nan 4.420 nan 0.000 0.272 366 P C -0.256 177.043 177.300 -0.003 0.000 1.223 366 P CA 0.011 63.131 63.100 0.032 0.000 0.784 366 P CB 1.110 32.833 31.700 0.039 0.000 0.923 367 V N 3.332 123.212 119.914 -0.055 0.000 2.427 367 V HA 0.080 4.228 4.120 0.047 0.000 0.268 367 V C 0.900 176.983 176.094 -0.018 0.000 1.046 367 V CA 0.037 62.269 62.300 -0.114 0.000 0.970 367 V CB 0.150 31.826 31.823 -0.245 0.000 1.001 367 V HN 0.549 nan 8.190 nan 0.000 0.476 368 Q N 6.370 126.183 119.800 0.022 0.000 2.279 368 Q HA 0.292 4.660 4.340 0.047 0.000 0.256 368 Q C 0.441 176.444 176.000 0.005 0.000 0.937 368 Q CA -0.767 55.053 55.803 0.029 0.000 0.933 368 Q CB 0.702 29.470 28.738 0.051 0.000 1.189 368 Q HN 0.815 nan 8.270 nan 0.000 0.417 369 R N 2.544 123.071 120.500 0.046 0.000 2.537 369 R HA 0.075 4.443 4.340 0.047 0.000 0.280 369 R C -0.579 175.761 176.300 0.068 0.000 1.058 369 R CA -0.216 55.950 56.100 0.110 0.000 1.057 369 R CB 0.677 31.113 30.300 0.227 0.000 0.973 369 R HN 0.513 nan 8.270 nan 0.000 0.438 370 V N 2.076 121.934 119.914 -0.093 0.000 3.013 370 V HA 0.315 4.463 4.120 0.047 0.000 0.238 370 V C 0.943 176.789 176.094 -0.414 0.000 1.161 370 V CA 1.233 63.355 62.300 -0.297 0.000 1.170 370 V CB 0.603 31.980 31.823 -0.742 0.000 0.917 370 V HN 1.068 nan 8.190 nan 0.000 0.478 371 G N -0.390 108.051 108.800 -0.597 0.000 2.430 371 G HA2 0.468 4.456 3.960 0.047 0.000 0.300 371 G HA3 0.468 4.456 3.960 0.047 0.000 0.300 371 G C -1.815 172.740 174.900 -0.575 0.000 1.330 371 G CA -0.572 43.852 45.100 -1.127 0.000 0.813 371 G HN 0.051 nan 8.290 nan 0.000 0.487 372 K N -0.368 119.696 120.400 -0.559 0.000 2.324 372 K HA 0.742 5.090 4.320 0.047 0.000 0.253 372 K C -0.806 175.809 176.600 0.024 0.000 0.932 372 K CA -0.758 55.493 56.287 -0.058 0.000 0.799 372 K CB 1.957 34.472 32.500 0.025 0.000 1.154 372 K HN 0.582 nan 8.250 nan 0.000 0.425 373 M N 4.694 124.447 119.600 0.255 0.000 2.321 373 M HA 0.413 4.921 4.480 0.047 0.000 0.315 373 M C -1.778 174.505 176.300 -0.028 0.000 1.052 373 M CA -0.783 54.620 55.300 0.172 0.000 0.936 373 M CB 1.703 34.468 32.600 0.275 0.000 1.639 373 M HN 0.358 nan 8.290 nan 0.000 0.433 374 V N 5.609 125.345 119.914 -0.296 0.000 2.487 374 V HA 0.456 4.604 4.120 0.047 0.000 0.298 374 V C -0.957 175.022 176.094 -0.192 0.000 1.028 374 V CA -0.842 61.305 62.300 -0.255 0.000 0.860 374 V CB 1.800 33.363 31.823 -0.434 0.000 0.991 374 V HN 0.667 nan 8.190 nan 0.000 0.427 375 L N 5.836 127.027 121.223 -0.053 0.000 2.255 375 L HA 0.484 4.852 4.340 0.047 0.000 0.289 375 L C 0.685 177.473 176.870 -0.136 0.000 1.046 375 L CA 0.158 54.970 54.840 -0.048 0.000 0.816 375 L CB 0.907 42.991 42.059 0.041 0.000 1.197 375 L HN 0.881 nan 8.230 nan 0.000 0.427 376 N N 2.088 120.624 118.700 -0.273 0.000 2.194 376 N HA 0.151 4.919 4.740 0.047 0.000 0.231 376 N C 0.006 175.340 175.510 -0.293 0.000 1.247 376 N CA -0.251 52.398 53.050 -0.669 0.000 0.884 376 N CB 0.737 38.502 38.487 -1.203 0.000 1.146 376 N HN 0.344 nan 8.380 nan 0.000 0.516 377 R N 0.431 120.861 120.500 -0.116 0.000 2.515 377 R HA 0.296 4.664 4.340 0.047 0.000 0.278 377 R C -1.244 175.018 176.300 -0.063 0.000 1.107 377 R CA -0.534 55.518 56.100 -0.079 0.000 0.945 377 R CB 1.339 31.600 30.300 -0.065 0.000 1.219 377 R HN 0.083 nan 8.270 nan 0.000 0.434 378 N N 3.181 121.722 118.700 -0.265 0.000 2.467 378 N HA 0.272 5.040 4.740 0.047 0.000 0.262 378 N C -2.236 173.222 175.510 -0.087 0.000 1.234 378 N CA -1.228 51.518 53.050 -0.507 0.000 0.952 378 N CB 0.569 38.122 38.487 -1.556 0.000 1.158 378 N HN 0.268 nan 8.380 nan 0.000 0.463 379 P HA 0.116 nan 4.420 nan 0.000 0.274 379 P C 0.157 177.657 177.300 0.334 0.000 1.260 379 P CA -0.095 63.222 63.100 0.361 0.000 0.793 379 P CB 1.015 32.968 31.700 0.422 0.000 1.048 380 D N -1.187 119.376 120.400 0.272 0.000 2.269 380 D HA -0.015 4.653 4.640 0.047 0.000 0.220 380 D C 0.396 176.870 176.300 0.290 0.000 0.962 380 D CA 1.288 55.437 54.000 0.247 0.000 0.884 380 D CB 0.164 41.049 40.800 0.142 0.000 1.023 380 D HN 0.379 nan 8.370 nan 0.000 0.484 381 N N -0.068 118.794 118.700 0.270 0.000 2.448 381 N HA 0.016 4.784 4.740 0.047 0.000 0.279 381 N C 0.142 175.856 175.510 0.340 0.000 1.025 381 N CA -0.322 52.898 53.050 0.283 0.000 0.898 381 N CB 1.547 40.169 38.487 0.225 0.000 1.303 381 N HN -0.156 nan 8.380 nan 0.000 0.495 382 F N 4.407 124.503 119.950 0.243 0.000 2.065 382 F HA -0.214 4.340 4.527 0.045 0.000 0.298 382 F C 1.717 177.647 175.800 0.217 0.000 1.112 382 F CA 1.652 59.797 58.000 0.242 0.000 1.212 382 F CB -0.160 38.953 39.000 0.188 0.000 0.975 382 F HN 0.616 nan 8.300 nan 0.000 0.476 383 F N 0.804 120.993 119.950 0.398 0.000 2.046 383 F HA -0.199 4.365 4.527 0.061 0.000 0.297 383 F C 2.352 178.213 175.800 0.102 0.000 1.123 383 F CA 1.979 60.130 58.000 0.252 0.000 1.199 383 F CB -0.981 38.138 39.000 0.198 0.000 0.972 383 F HN 0.010 nan 8.300 nan 0.000 0.474 384 A N -0.309 122.641 122.820 0.216 0.000 1.902 384 A HA -0.198 4.150 4.320 0.047 0.000 0.217 384 A C 2.066 179.582 177.584 -0.114 0.000 1.181 384 A CA 2.120 54.185 52.037 0.048 0.000 0.623 384 A CB -0.744 18.343 19.000 0.145 0.000 0.818 384 A HN 0.622 nan 8.150 nan 0.000 0.443 385 E N -1.429 118.726 120.200 -0.075 0.000 2.162 385 E HA -0.059 4.319 4.350 0.047 0.000 0.193 385 E C 1.969 178.484 176.600 -0.142 0.000 0.953 385 E CA 0.470 56.765 56.400 -0.175 0.000 0.849 385 E CB -0.104 29.552 29.700 -0.074 0.000 0.810 385 E HN 0.579 nan 8.360 nan 0.000 0.470 386 N N 1.312 119.929 118.700 -0.138 0.000 2.182 386 N HA -0.153 4.615 4.740 0.047 0.000 0.186 386 N C 1.829 177.185 175.510 -0.257 0.000 1.036 386 N CA 1.290 54.208 53.050 -0.219 0.000 0.850 386 N CB 0.089 38.063 38.487 -0.856 0.000 1.010 386 N HN -0.067 nan 8.380 nan 0.000 0.432 387 E N 0.915 120.903 120.200 -0.353 0.000 2.085 387 E HA -0.104 4.274 4.350 0.047 0.000 0.194 387 E C 1.756 178.183 176.600 -0.288 0.000 0.994 387 E CA 1.475 57.736 56.400 -0.231 0.000 0.801 387 E CB -0.177 29.421 29.700 -0.169 0.000 0.743 387 E HN 0.477 nan 8.360 nan 0.000 0.453 388 Q N -0.304 119.244 119.800 -0.419 0.000 2.472 388 Q HA 0.180 4.548 4.340 0.047 0.000 0.208 388 Q C 0.083 175.964 176.000 -0.200 0.000 0.958 388 Q CA 0.316 55.922 55.803 -0.329 0.000 0.932 388 Q CB 0.266 28.779 28.738 -0.375 0.000 1.007 388 Q HN 0.227 nan 8.270 nan 0.000 0.508 389 A N 1.096 123.822 122.820 -0.157 0.000 2.462 389 A HA 0.461 4.809 4.320 0.047 0.000 0.243 389 A C -0.197 177.288 177.584 -0.166 0.000 1.076 389 A CA 0.156 52.080 52.037 -0.189 0.000 0.773 389 A CB 0.288 19.244 19.000 -0.073 0.000 1.010 389 A HN 0.255 nan 8.150 nan 0.000 0.493 390 A N 2.390 125.044 122.820 -0.276 0.000 2.310 390 A HA 0.703 5.051 4.320 0.047 0.000 0.304 390 A C -0.812 176.663 177.584 -0.181 0.000 1.231 390 A CA -0.403 51.552 52.037 -0.138 0.000 0.799 390 A CB 0.282 19.222 19.000 -0.101 0.000 1.162 390 A HN 0.643 nan 8.150 nan 0.000 0.486 391 F N 0.979 120.951 119.950 0.036 0.000 2.492 391 F HA 0.665 5.220 4.527 0.046 0.000 0.327 391 F C 0.301 176.086 175.800 -0.025 0.000 1.079 391 F CA -0.156 57.842 58.000 -0.003 0.000 0.967 391 F CB 2.064 41.005 39.000 -0.099 0.000 1.169 391 F HN 0.756 nan 8.300 nan 0.000 0.472 392 H N 3.171 122.107 119.070 -0.223 0.000 3.099 392 H HA 0.286 4.871 4.556 0.047 0.000 0.342 392 H C -2.490 172.453 175.328 -0.643 0.000 1.054 392 H CA -1.774 53.867 56.048 -0.678 0.000 1.328 392 H CB 2.682 31.955 29.762 -0.816 0.000 1.876 392 H HN 0.175 nan 8.280 nan 0.000 0.495 393 P HA -0.023 nan 4.420 nan 0.000 0.225 393 P C 1.200 178.337 177.300 -0.271 0.000 1.148 393 P CA 1.429 64.204 63.100 -0.542 0.000 0.779 393 P CB 0.115 31.560 31.700 -0.425 0.000 0.780 394 G N -1.028 107.360 108.800 -0.688 0.000 2.534 394 G HA2 -0.150 3.838 3.960 0.047 0.000 0.217 394 G HA3 -0.150 3.838 3.960 0.047 0.000 0.217 394 G C 0.451 175.533 174.900 0.303 0.000 1.128 394 G CA 0.002 45.090 45.100 -0.019 0.000 0.784 394 G HN 0.420 nan 8.290 nan 0.000 0.542 395 H N 0.860 120.045 119.070 0.192 0.000 3.356 395 H HA 0.326 4.910 4.556 0.046 0.000 0.260 395 H C 0.554 175.981 175.328 0.165 0.000 1.570 395 H CA -0.730 55.404 56.048 0.143 0.000 1.547 395 H CB -0.203 29.614 29.762 0.092 0.000 1.774 395 H HN 0.394 nan 8.280 nan 0.000 0.542 396 I N -0.377 120.307 120.570 0.190 0.000 3.217 396 I HA 0.690 4.888 4.170 0.047 0.000 0.308 396 I C -0.184 175.911 176.117 -0.037 0.000 1.091 396 I CA -1.434 59.887 61.300 0.036 0.000 1.013 396 I CB 1.903 39.816 38.000 -0.146 0.000 1.250 396 I HN 0.128 nan 8.210 nan 0.000 0.496 397 V N -2.125 117.746 119.914 -0.072 0.000 3.040 397 V HA 0.666 4.815 4.120 0.047 0.000 0.312 397 V C -2.840 173.336 176.094 0.136 0.000 1.115 397 V CA -2.566 59.757 62.300 0.038 0.000 0.998 397 V CB 1.021 32.854 31.823 0.017 0.000 1.042 397 V HN 0.644 nan 8.190 nan 0.000 0.433 398 P HA 0.329 nan 4.420 nan 0.000 0.261 398 P C 0.922 178.219 177.300 -0.005 0.000 1.183 398 P CA 1.970 65.139 63.100 0.115 0.000 0.761 398 P CB 0.491 32.238 31.700 0.078 0.000 0.785 399 G N 1.786 110.539 108.800 -0.080 0.000 2.231 399 G HA2 -0.150 3.839 3.960 0.047 0.000 0.206 399 G HA3 -0.150 3.839 3.960 0.047 0.000 0.206 399 G C -0.291 174.520 174.900 -0.148 0.000 0.996 399 G CA -0.439 44.593 45.100 -0.113 0.000 0.645 399 G HN 0.454 nan 8.290 nan 0.000 0.498 400 L N 0.096 121.239 121.223 -0.133 0.000 2.323 400 L HA 0.929 5.298 4.340 0.047 0.000 0.265 400 L C -0.648 176.152 176.870 -0.116 0.000 1.012 400 L CA -1.069 53.668 54.840 -0.171 0.000 0.820 400 L CB 2.176 44.056 42.059 -0.298 0.000 1.334 400 L HN 0.083 nan 8.230 nan 0.000 0.427 401 D N -0.552 119.763 120.400 -0.142 0.000 2.671 401 D HA 0.440 5.109 4.640 0.047 0.000 0.273 401 D C -1.195 175.043 176.300 -0.103 0.000 1.264 401 D CA -0.360 53.523 54.000 -0.195 0.000 0.788 401 D CB 1.890 42.650 40.800 -0.068 0.000 1.324 401 D HN 0.123 nan 8.370 nan 0.000 0.424 402 F N -0.141 119.948 119.950 0.232 0.000 2.251 402 F HA 0.546 5.101 4.527 0.047 0.000 0.302 402 F C 1.537 177.369 175.800 0.052 0.000 1.143 402 F CA -0.225 57.848 58.000 0.123 0.000 1.104 402 F CB 0.916 39.954 39.000 0.062 0.000 1.516 402 F HN 0.223 nan 8.300 nan 0.000 0.511 403 T N -3.336 111.323 114.554 0.174 0.000 2.804 403 T HA 0.302 4.680 4.350 0.047 0.000 0.290 403 T C -0.081 174.651 174.700 0.053 0.000 1.099 403 T CA -0.989 61.185 62.100 0.124 0.000 1.011 403 T CB 1.230 70.145 68.868 0.079 0.000 1.291 403 T HN 0.342 nan 8.240 nan 0.000 0.523 404 N N 1.098 119.834 118.700 0.060 0.000 2.449 404 N HA 0.042 4.810 4.740 0.047 0.000 0.191 404 N C 0.105 175.619 175.510 0.006 0.000 1.161 404 N CA 0.139 53.207 53.050 0.030 0.000 0.863 404 N CB -0.462 38.061 38.487 0.059 0.000 0.980 404 N HN 0.695 nan 8.380 nan 0.000 0.458 405 D N 2.221 122.610 120.400 -0.018 0.000 2.662 405 D HA -0.094 4.574 4.640 0.047 0.000 0.237 405 D C -1.342 174.944 176.300 -0.024 0.000 1.154 405 D CA -0.842 53.167 54.000 0.016 0.000 0.861 405 D CB 1.210 41.962 40.800 -0.079 0.000 1.146 405 D HN 0.155 nan 8.370 nan 0.000 0.518 406 P HA -0.113 nan 4.420 nan 0.000 0.226 406 P C 1.530 178.835 177.300 0.009 0.000 1.153 406 P CA 0.215 63.321 63.100 0.009 0.000 0.777 406 P CB 0.383 32.078 31.700 -0.009 0.000 0.794 407 L N -0.440 120.806 121.223 0.038 0.000 2.102 407 L HA 0.023 4.392 4.340 0.047 0.000 0.202 407 L C 2.356 179.133 176.870 -0.155 0.000 1.076 407 L CA 1.218 56.076 54.840 0.030 0.000 0.761 407 L CB -1.541 40.623 42.059 0.175 0.000 0.921 407 L HN -0.176 nan 8.230 nan 0.000 0.444 408 L N -0.492 120.472 121.223 -0.432 0.000 2.012 408 L HA -0.216 4.152 4.340 0.047 0.000 0.210 408 L C 2.461 179.075 176.870 -0.427 0.000 1.073 408 L CA 1.788 56.163 54.840 -0.774 0.000 0.748 408 L CB -0.971 40.392 42.059 -1.160 0.000 0.891 408 L HN 0.366 nan 8.230 nan 0.000 0.431 409 Q N -0.079 119.542 119.800 -0.298 0.000 2.077 409 Q HA -0.196 4.172 4.340 0.047 0.000 0.206 409 Q C 2.103 178.020 176.000 -0.138 0.000 0.989 409 Q CA 1.966 57.641 55.803 -0.214 0.000 0.853 409 Q CB -0.919 27.745 28.738 -0.124 0.000 0.907 409 Q HN 0.711 nan 8.270 nan 0.000 0.418 410 G N 0.388 109.139 108.800 -0.082 0.000 2.421 410 G HA2 -0.218 3.770 3.960 0.047 0.000 0.217 410 G HA3 -0.218 3.770 3.960 0.047 0.000 0.217 410 G C 1.531 176.451 174.900 0.033 0.000 1.143 410 G CA 0.278 45.377 45.100 -0.001 0.000 0.784 410 G HN 0.249 nan 8.290 nan 0.000 0.541 411 R N -0.109 120.358 120.500 -0.055 0.000 2.091 411 R HA 0.011 4.379 4.340 0.047 0.000 0.238 411 R C 2.540 178.906 176.300 0.109 0.000 1.136 411 R CA 0.975 57.091 56.100 0.027 0.000 0.959 411 R CB -0.502 29.770 30.300 -0.047 0.000 0.856 411 R HN 0.342 nan 8.270 nan 0.000 0.437 412 L N -0.329 120.856 121.223 -0.063 0.000 2.129 412 L HA -0.227 4.141 4.340 0.047 0.000 0.212 412 L C 2.307 179.320 176.870 0.238 0.000 1.087 412 L CA 1.226 56.052 54.840 -0.023 0.000 0.757 412 L CB -0.490 41.415 42.059 -0.257 0.000 0.896 412 L HN 0.179 nan 8.230 nan 0.000 0.434 413 F N 0.092 120.083 119.950 0.069 0.000 2.187 413 F HA -0.164 4.392 4.527 0.048 0.000 0.295 413 F C 2.787 178.636 175.800 0.083 0.000 1.091 413 F CA 1.504 59.541 58.000 0.062 0.000 1.308 413 F CB -0.271 38.742 39.000 0.021 0.000 1.030 413 F HN -0.057 nan 8.300 nan 0.000 0.487 414 S N -0.548 115.172 115.700 0.033 0.000 2.356 414 S HA -0.235 4.263 4.470 0.047 0.000 0.223 414 S C 2.058 176.546 174.600 -0.187 0.000 1.032 414 S CA 1.633 59.742 58.200 -0.151 0.000 1.005 414 S CB -0.842 62.296 63.200 -0.104 0.000 0.867 414 S HN 0.556 nan 8.310 nan 0.000 0.449 415 Y N 1.361 121.651 120.300 -0.016 0.000 2.421 415 Y HA -0.017 4.562 4.550 0.047 0.000 0.292 415 Y C 2.860 178.467 175.900 -0.489 0.000 1.136 415 Y CA 1.099 59.172 58.100 -0.045 0.000 1.255 415 Y CB -0.603 38.286 38.460 0.714 0.000 0.991 415 Y HN 0.270 nan 8.280 nan 0.000 0.552 416 T N -0.632 113.600 114.554 -0.536 0.000 2.770 416 T HA -0.170 4.208 4.350 0.047 0.000 0.258 416 T C 1.426 175.929 174.700 -0.327 0.000 1.039 416 T CA 1.506 63.358 62.100 -0.412 0.000 1.143 416 T CB -0.418 68.269 68.868 -0.303 0.000 0.866 416 T HN 0.325 nan 8.240 nan 0.000 0.428 417 D N 0.834 120.986 120.400 -0.413 0.000 2.106 417 D HA -0.149 4.519 4.640 0.047 0.000 0.191 417 D C 2.260 178.405 176.300 -0.260 0.000 0.997 417 D CA 1.795 55.565 54.000 -0.384 0.000 0.834 417 D CB -0.577 39.814 40.800 -0.681 0.000 0.956 417 D HN 0.236 nan 8.370 nan 0.000 0.448 418 T N -1.183 113.213 114.554 -0.264 0.000 2.803 418 T HA -0.186 4.192 4.350 0.047 0.000 0.269 418 T C 1.696 176.272 174.700 -0.206 0.000 1.052 418 T CA 1.565 63.547 62.100 -0.197 0.000 1.136 418 T CB -0.223 68.528 68.868 -0.195 0.000 0.864 418 T HN 0.180 nan 8.240 nan 0.000 0.467 419 Q N 0.022 119.628 119.800 -0.324 0.000 2.436 419 Q HA 0.139 4.507 4.340 0.047 0.000 0.209 419 Q C 2.030 177.910 176.000 -0.200 0.000 0.965 419 Q CA 0.451 56.026 55.803 -0.380 0.000 0.910 419 Q CB -0.059 28.165 28.738 -0.857 0.000 0.980 419 Q HN 0.464 nan 8.270 nan 0.000 0.491 420 I N 0.076 120.577 120.570 -0.116 0.000 2.264 420 I HA -0.252 3.947 4.170 0.047 0.000 0.248 420 I C 2.140 178.249 176.117 -0.012 0.000 1.111 420 I CA 1.771 63.062 61.300 -0.015 0.000 1.382 420 I CB -1.394 36.604 38.000 -0.003 0.000 1.060 420 I HN 0.263 nan 8.210 nan 0.000 0.418 421 S N 0.319 115.999 115.700 -0.034 0.000 2.412 421 S HA -0.054 4.444 4.470 0.047 0.000 0.223 421 S C 2.181 176.770 174.600 -0.019 0.000 1.048 421 S CA 0.127 58.318 58.200 -0.015 0.000 0.954 421 S CB -0.320 62.874 63.200 -0.010 0.000 0.840 421 S HN 0.282 nan 8.310 nan 0.000 0.503 422 R N 0.961 121.432 120.500 -0.048 0.000 2.083 422 R HA 0.126 4.494 4.340 0.047 0.000 0.237 422 R C 1.266 177.545 176.300 -0.036 0.000 1.137 422 R CA 1.601 57.675 56.100 -0.044 0.000 0.951 422 R CB -0.302 29.951 30.300 -0.078 0.000 0.851 422 R HN 0.463 nan 8.270 nan 0.000 0.434 423 L N -0.487 120.702 121.223 -0.057 0.000 2.872 423 L HA 0.327 4.695 4.340 0.047 0.000 0.245 423 L C 0.790 177.675 176.870 0.024 0.000 1.211 423 L CA 0.224 55.050 54.840 -0.023 0.000 1.013 423 L CB 1.045 43.084 42.059 -0.034 0.000 1.326 423 L HN 0.595 nan 8.230 nan 0.000 0.525 424 G N 0.095 108.909 108.800 0.022 0.000 2.168 424 G HA2 -0.170 3.818 3.960 0.047 0.000 0.263 424 G HA3 -0.170 3.818 3.960 0.047 0.000 0.263 424 G C 0.482 175.419 174.900 0.061 0.000 0.977 424 G CA 0.202 45.325 45.100 0.038 0.000 0.659 424 G HN 0.784 nan 8.290 nan 0.000 0.533 425 G N -1.844 107.010 108.800 0.091 0.000 2.343 425 G HA2 0.604 4.592 3.960 0.047 0.000 0.289 425 G HA3 0.604 4.592 3.960 0.047 0.000 0.289 425 G C -2.239 172.788 174.900 0.213 0.000 1.295 425 G CA 0.378 45.547 45.100 0.116 0.000 0.869 425 G HN 0.415 nan 8.290 nan 0.000 0.522 426 P HA 0.136 nan 4.420 nan 0.000 0.255 426 P C 0.283 177.623 177.300 0.067 0.000 1.248 426 P CA 0.345 63.556 63.100 0.185 0.000 0.807 426 P CB 0.257 32.023 31.700 0.110 0.000 1.150 427 N N 0.417 119.140 118.700 0.039 0.000 2.327 427 N HA 0.067 4.835 4.740 0.047 0.000 0.231 427 N C 1.019 176.371 175.510 -0.264 0.000 1.130 427 N CA -0.178 52.779 53.050 -0.155 0.000 0.845 427 N CB -0.617 37.808 38.487 -0.103 0.000 1.073 427 N HN 0.267 nan 8.380 nan 0.000 0.496 428 F N 0.727 120.643 119.950 -0.057 0.000 2.333 428 F HA -0.070 4.484 4.527 0.046 0.000 0.300 428 F C 2.191 177.917 175.800 -0.124 0.000 1.083 428 F CA 0.744 58.689 58.000 -0.092 0.000 1.395 428 F CB -0.725 38.244 39.000 -0.051 0.000 1.056 428 F HN 0.169 nan 8.300 nan 0.000 0.529 429 H N 0.368 119.030 119.070 -0.681 0.000 2.546 429 H HA 0.067 4.652 4.556 0.048 0.000 0.277 429 H C 0.876 176.034 175.328 -0.283 0.000 1.004 429 H CA 1.283 57.041 56.048 -0.484 0.000 1.231 429 H CB -0.716 28.628 29.762 -0.696 0.000 1.382 429 H HN 0.531 nan 8.280 nan 0.000 0.580 430 E N 0.948 120.736 120.200 -0.687 0.000 2.442 430 E HA 0.164 4.543 4.350 0.047 0.000 0.195 430 E C 0.398 176.880 176.600 -0.195 0.000 1.030 430 E CA -0.261 55.901 56.400 -0.396 0.000 0.869 430 E CB 0.515 29.992 29.700 -0.371 0.000 0.857 430 E HN 0.424 nan 8.360 nan 0.000 0.505 431 I N 2.957 123.425 120.570 -0.170 0.000 2.668 431 I HA -0.065 4.133 4.170 0.047 0.000 0.285 431 I C -1.530 174.520 176.117 -0.112 0.000 1.168 431 I CA -1.382 59.848 61.300 -0.116 0.000 1.424 431 I CB 0.493 38.438 38.000 -0.093 0.000 1.377 431 I HN -0.176 nan 8.210 nan 0.000 0.560 432 P HA -0.271 nan 4.420 nan 0.000 0.217 432 P C 1.713 178.935 177.300 -0.130 0.000 1.162 432 P CA 1.425 64.464 63.100 -0.101 0.000 0.901 432 P CB 0.157 31.806 31.700 -0.084 0.000 0.793 433 I N -0.849 119.615 120.570 -0.177 0.000 2.361 433 I HA -0.186 4.013 4.170 0.047 0.000 0.251 433 I C 1.404 177.431 176.117 -0.150 0.000 1.133 433 I CA 1.697 62.840 61.300 -0.263 0.000 1.413 433 I CB -0.706 37.023 38.000 -0.453 0.000 1.073 433 I HN -0.114 nan 8.210 nan 0.000 0.424 434 N N 0.738 119.365 118.700 -0.120 0.000 2.463 434 N HA 0.007 4.775 4.740 0.047 0.000 0.181 434 N C 0.349 175.850 175.510 -0.014 0.000 1.078 434 N CA 0.250 53.256 53.050 -0.074 0.000 0.902 434 N CB -0.186 38.278 38.487 -0.038 0.000 0.970 434 N HN 0.383 nan 8.380 nan 0.000 0.451 435 R N 1.652 122.143 120.500 -0.015 0.000 2.570 435 R HA 0.125 4.493 4.340 0.047 0.000 0.277 435 R C -2.208 174.144 176.300 0.087 0.000 1.039 435 R CA -1.144 54.954 56.100 -0.003 0.000 1.065 435 R CB -0.138 30.149 30.300 -0.021 0.000 0.964 435 R HN 0.038 nan 8.270 nan 0.000 0.428 436 P HA -0.027 nan 4.420 nan 0.000 0.269 436 P C 0.585 177.951 177.300 0.110 0.000 1.215 436 P CA 0.069 63.235 63.100 0.110 0.000 0.780 436 P CB 0.703 32.429 31.700 0.043 0.000 0.898 437 T N -2.371 112.261 114.554 0.131 0.000 3.057 437 T HA 0.047 4.425 4.350 0.047 0.000 0.254 437 T C 0.920 175.663 174.700 0.071 0.000 1.094 437 T CA 0.082 62.218 62.100 0.061 0.000 1.088 437 T CB -0.959 67.930 68.868 0.035 0.000 0.934 437 T HN 0.573 nan 8.240 nan 0.000 0.497 438 C N 1.380 120.737 119.300 0.095 0.000 2.396 438 C HA 0.754 5.242 4.460 0.047 0.000 0.359 438 C C -2.405 172.644 174.990 0.098 0.000 1.307 438 C CA -2.476 56.597 59.018 0.091 0.000 2.392 438 C CB -0.109 27.689 27.740 0.098 0.000 2.245 438 C HN 0.183 nan 8.230 nan 0.000 0.615 439 P HA 0.303 nan 4.420 nan 0.000 0.269 439 P C -1.204 176.179 177.300 0.139 0.000 1.209 439 P CA 0.453 63.627 63.100 0.124 0.000 0.776 439 P CB -0.031 31.780 31.700 0.186 0.000 0.876 440 Y N 0.656 120.874 120.300 -0.137 0.000 2.361 440 Y HA 0.636 5.214 4.550 0.047 0.000 0.328 440 Y C -1.575 174.071 175.900 -0.423 0.000 1.044 440 Y CA -0.887 57.114 58.100 -0.165 0.000 1.085 440 Y CB 1.254 39.623 38.460 -0.153 0.000 1.194 440 Y HN 0.430 nan 8.280 nan 0.000 0.438 441 H N 3.971 122.914 119.070 -0.211 0.000 2.947 441 H HA 0.537 5.122 4.556 0.048 0.000 0.354 441 H C -1.172 174.021 175.328 -0.225 0.000 1.085 441 H CA -0.751 55.099 56.048 -0.330 0.000 1.253 441 H CB 1.651 31.265 29.762 -0.247 0.000 1.757 441 H HN 0.890 nan 8.280 nan 0.000 0.523 442 N N 0.469 119.049 118.700 -0.201 0.000 3.449 442 N HA 0.204 4.972 4.740 0.047 0.000 0.312 442 N C -1.135 174.124 175.510 -0.419 0.000 1.582 442 N CA -0.937 51.956 53.050 -0.261 0.000 0.850 442 N CB 0.722 39.211 38.487 0.003 0.000 1.822 442 N HN 0.289 nan 8.380 nan 0.000 0.577 443 F N -0.308 119.682 119.950 0.067 0.000 2.641 443 F HA 0.354 4.909 4.527 0.047 0.000 0.302 443 F C 0.375 176.218 175.800 0.070 0.000 1.098 443 F CA -0.389 57.647 58.000 0.060 0.000 1.318 443 F CB 0.176 39.208 39.000 0.052 0.000 1.035 443 F HN 0.120 nan 8.300 nan 0.000 0.551 444 Q N 1.480 121.384 119.800 0.173 0.000 2.327 444 Q HA 0.452 4.820 4.340 0.047 0.000 0.254 444 Q C 0.070 176.145 176.000 0.125 0.000 0.952 444 Q CA -0.142 55.745 55.803 0.140 0.000 0.884 444 Q CB 1.165 29.964 28.738 0.102 0.000 1.224 444 Q HN 0.112 nan 8.270 nan 0.000 0.422 445 R N 1.390 121.957 120.500 0.112 0.000 2.817 445 R HA 0.361 4.729 4.340 0.047 0.000 0.268 445 R C -0.725 175.622 176.300 0.079 0.000 1.027 445 R CA -0.647 55.509 56.100 0.094 0.000 0.928 445 R CB 1.134 31.491 30.300 0.096 0.000 1.228 445 R HN 0.721 nan 8.270 nan 0.000 0.469 446 D N -0.327 120.111 120.400 0.063 0.000 3.496 446 D HA -0.142 4.526 4.640 0.047 0.000 0.238 446 D C 0.294 176.627 176.300 0.054 0.000 1.707 446 D CA 1.999 56.029 54.000 0.050 0.000 1.150 446 D CB -1.019 39.810 40.800 0.048 0.000 0.759 446 D HN 0.902 nan 8.370 nan 0.000 0.936 447 G N -1.472 107.357 108.800 0.049 0.000 2.692 447 G HA2 0.243 4.232 3.960 0.047 0.000 0.686 447 G HA3 0.243 4.232 3.960 0.047 0.000 0.686 447 G C -0.300 174.632 174.900 0.052 0.000 1.243 447 G CA 0.008 45.141 45.100 0.055 0.000 0.782 447 G HN 0.795 nan 8.290 nan 0.000 0.625 448 M N 1.234 120.870 119.600 0.061 0.000 2.250 448 M HA 0.456 4.965 4.480 0.047 0.000 0.337 448 M C 1.110 177.483 176.300 0.121 0.000 1.161 448 M CA 1.215 56.558 55.300 0.073 0.000 1.088 448 M CB -0.567 32.078 32.600 0.075 0.000 1.639 448 M HN 1.551 nan 8.290 nan 0.000 0.447 449 H N 0.875 119.947 119.070 0.003 0.000 2.604 449 H HA -0.195 4.388 4.556 0.044 0.000 0.321 449 H C -0.688 174.629 175.328 -0.019 0.000 1.132 449 H CA 0.755 56.801 56.048 -0.004 0.000 1.129 449 H CB -0.624 29.137 29.762 -0.001 0.000 1.526 449 H HN 0.624 nan 8.280 nan 0.000 0.415 450 R N 1.493 122.006 120.500 0.022 0.000 2.370 450 R HA 0.067 4.435 4.340 0.047 0.000 0.309 450 R C 0.928 177.226 176.300 -0.003 0.000 1.059 450 R CA -0.011 56.099 56.100 0.016 0.000 0.981 450 R CB 0.305 30.612 30.300 0.011 0.000 0.972 450 R HN 0.380 nan 8.270 nan 0.000 0.437 451 M N 2.637 122.248 119.600 0.018 0.000 2.412 451 M HA 0.208 4.716 4.480 0.047 0.000 0.263 451 M C 0.951 177.248 176.300 -0.005 0.000 1.122 451 M CA 1.021 56.329 55.300 0.013 0.000 1.179 451 M CB -0.837 31.778 32.600 0.025 0.000 1.335 451 M HN 0.714 nan 8.290 nan 0.000 0.465 452 G N 1.854 110.654 108.800 0.000 0.000 2.365 452 G HA2 0.376 4.364 3.960 0.047 0.000 0.249 452 G HA3 0.376 4.364 3.960 0.047 0.000 0.249 452 G C -0.354 174.538 174.900 -0.014 0.000 1.288 452 G CA -0.359 44.735 45.100 -0.010 0.000 0.887 452 G HN 0.330 nan 8.290 nan 0.000 0.524 453 I N 2.968 123.523 120.570 -0.024 0.000 2.310 453 I HA 0.094 4.292 4.170 0.047 0.000 0.287 453 I C -0.225 175.879 176.117 -0.021 0.000 1.073 453 I CA -0.530 60.760 61.300 -0.017 0.000 1.216 453 I CB 0.810 38.800 38.000 -0.017 0.000 1.415 453 I HN 0.363 nan 8.210 nan 0.000 0.480 454 D N 4.658 125.050 120.400 -0.014 0.000 2.390 454 D HA 0.047 4.715 4.640 0.047 0.000 0.249 454 D C 1.242 177.542 176.300 0.000 0.000 1.144 454 D CA 0.300 54.291 54.000 -0.015 0.000 0.880 454 D CB 1.771 42.569 40.800 -0.003 0.000 1.182 454 D HN 0.553 nan 8.370 nan 0.000 0.451 455 T N -0.782 113.769 114.554 -0.004 0.000 3.040 455 T HA -0.063 4.315 4.350 0.047 0.000 0.250 455 T C 0.870 175.579 174.700 0.016 0.000 1.058 455 T CA -0.523 61.579 62.100 0.004 0.000 0.988 455 T CB 0.181 69.045 68.868 -0.007 0.000 0.993 455 T HN 0.127 nan 8.240 nan 0.000 0.519 456 N N 3.399 122.111 118.700 0.019 0.000 2.359 456 N HA 0.071 4.839 4.740 0.047 0.000 0.261 456 N C -1.694 173.857 175.510 0.067 0.000 1.267 456 N CA -1.415 51.661 53.050 0.043 0.000 0.864 456 N CB 1.405 39.921 38.487 0.048 0.000 1.063 456 N HN 0.069 nan 8.380 nan 0.000 0.474 457 P HA -0.033 nan 4.420 nan 0.000 0.218 457 P C -0.566 176.796 177.300 0.103 0.000 1.148 457 P CA 1.037 64.182 63.100 0.076 0.000 0.822 457 P CB 0.225 31.965 31.700 0.067 0.000 0.784 458 A N 0.445 123.318 122.820 0.088 0.000 2.325 458 A HA 0.441 4.789 4.320 0.047 0.000 0.333 458 A C 0.349 178.044 177.584 0.186 0.000 1.155 458 A CA -0.666 51.389 52.037 0.030 0.000 0.814 458 A CB 0.174 19.000 19.000 -0.289 0.000 1.206 458 A HN 0.262 nan 8.150 nan 0.000 0.482 459 N N -0.049 118.804 118.700 0.255 0.000 2.351 459 N HA 0.377 5.146 4.740 0.047 0.000 0.254 459 N C -0.896 174.793 175.510 0.298 0.000 1.241 459 N CA -0.358 52.914 53.050 0.371 0.000 0.883 459 N CB 0.341 38.992 38.487 0.274 0.000 1.202 459 N HN 0.694 nan 8.380 nan 0.000 0.512 460 Y N -1.121 119.061 120.300 -0.196 0.000 2.609 460 Y HA 0.665 5.243 4.550 0.047 0.000 0.336 460 Y C -1.659 173.655 175.900 -0.976 0.000 1.129 460 Y CA -1.345 56.459 58.100 -0.493 0.000 1.040 460 Y CB 1.043 39.376 38.460 -0.212 0.000 1.310 460 Y HN 0.078 nan 8.280 nan 0.000 0.460 461 E N 0.976 120.722 120.200 -0.757 0.000 2.343 461 E HA 0.635 5.013 4.350 0.047 0.000 0.278 461 E C -3.224 173.270 176.600 -0.178 0.000 0.910 461 E CA -1.958 54.084 56.400 -0.596 0.000 0.757 461 E CB 1.769 31.059 29.700 -0.683 0.000 1.218 461 E HN 0.569 nan 8.360 nan 0.000 0.435 462 P HA 0.304 nan 4.420 nan 0.000 0.275 462 P C -1.268 175.979 177.300 -0.088 0.000 1.228 462 P CA -0.453 62.577 63.100 -0.116 0.000 0.786 462 P CB 0.541 32.208 31.700 -0.056 0.000 0.927 463 N N -1.331 117.241 118.700 -0.213 0.000 2.229 463 N HA 0.348 5.116 4.740 0.047 0.000 0.298 463 N C 0.281 175.737 175.510 -0.090 0.000 1.114 463 N CA -0.756 52.171 53.050 -0.205 0.000 0.776 463 N CB 1.510 39.576 38.487 -0.702 0.000 1.501 463 N HN 0.188 nan 8.380 nan 0.000 0.474 464 S N 0.877 116.575 115.700 -0.004 0.000 2.497 464 S HA -0.008 4.490 4.470 0.047 0.000 0.218 464 S C 1.568 176.180 174.600 0.019 0.000 1.023 464 S CA 0.003 58.205 58.200 0.002 0.000 0.913 464 S CB -0.774 62.439 63.200 0.023 0.000 0.800 464 S HN 0.714 nan 8.310 nan 0.000 0.505 465 I N -0.569 120.021 120.570 0.033 0.000 2.756 465 I HA 0.168 4.366 4.170 0.047 0.000 0.262 465 I C 1.272 177.419 176.117 0.050 0.000 1.225 465 I CA 1.402 62.732 61.300 0.050 0.000 1.472 465 I CB -0.391 37.659 38.000 0.083 0.000 1.094 465 I HN 0.207 nan 8.210 nan 0.000 0.454 466 N N 1.133 119.859 118.700 0.044 0.000 2.299 466 N HA 0.041 4.809 4.740 0.047 0.000 0.246 466 N C -0.089 175.533 175.510 0.186 0.000 1.254 466 N CA -0.053 53.066 53.050 0.115 0.000 0.879 466 N CB 0.017 38.583 38.487 0.131 0.000 1.214 466 N HN 0.214 nan 8.380 nan 0.000 0.510 467 D N 0.799 121.254 120.400 0.093 0.000 2.751 467 D HA -0.258 4.410 4.640 0.047 0.000 0.233 467 D C -0.091 176.089 176.300 -0.201 0.000 1.149 467 D CA 1.101 55.116 54.000 0.025 0.000 0.682 467 D CB -1.374 39.523 40.800 0.163 0.000 1.068 467 D HN 0.492 nan 8.370 nan 0.000 0.429 468 N N -1.653 116.961 118.700 -0.143 0.000 2.800 468 N HA -0.245 4.523 4.740 0.047 0.000 0.250 468 N C -0.800 174.625 175.510 -0.141 0.000 1.078 468 N CA 1.410 54.349 53.050 -0.186 0.000 0.804 468 N CB -1.327 37.004 38.487 -0.261 0.000 1.135 468 N HN 0.540 nan 8.380 nan 0.000 0.565 469 W N 0.952 122.298 121.300 0.077 0.000 2.313 469 W HA 0.447 5.135 4.660 0.047 0.000 0.328 469 W C -1.649 174.913 176.519 0.072 0.000 1.197 469 W CA -1.659 55.717 57.345 0.051 0.000 1.235 469 W CB 0.525 29.967 29.460 -0.030 0.000 1.158 469 W HN -0.028 nan 8.180 nan 0.000 0.578 470 P HA 0.170 nan 4.420 nan 0.000 0.275 470 P C -0.670 176.760 177.300 0.216 0.000 1.227 470 P CA -0.072 63.159 63.100 0.218 0.000 0.781 470 P CB 0.921 32.600 31.700 -0.034 0.000 0.906 471 R N 1.401 122.010 120.500 0.181 0.000 2.598 471 R HA 0.327 4.695 4.340 0.047 0.000 0.279 471 R C 0.434 176.765 176.300 0.052 0.000 0.984 471 R CA -0.813 55.278 56.100 -0.014 0.000 0.999 471 R CB 1.026 31.120 30.300 -0.343 0.000 1.114 471 R HN 0.492 nan 8.270 nan 0.000 0.493 472 E N 0.609 120.826 120.200 0.029 0.000 2.422 472 E HA 0.040 4.418 4.350 0.047 0.000 0.260 472 E C -0.556 176.065 176.600 0.035 0.000 1.108 472 E CA 0.631 57.060 56.400 0.048 0.000 0.943 472 E CB 0.720 30.440 29.700 0.033 0.000 0.961 472 E HN 0.358 nan 8.360 nan 0.000 0.443 473 T N 3.318 117.904 114.554 0.053 0.000 2.879 473 T HA 0.326 4.705 4.350 0.047 0.000 0.290 473 T C -2.466 172.258 174.700 0.039 0.000 0.993 473 T CA -1.513 60.616 62.100 0.049 0.000 0.975 473 T CB 1.501 70.410 68.868 0.068 0.000 0.981 473 T HN 0.237 nan 8.240 nan 0.000 0.439 474 P HA 0.207 nan 4.420 nan 0.000 0.268 474 P C -2.465 174.842 177.300 0.013 0.000 1.208 474 P CA -1.088 62.021 63.100 0.014 0.000 0.777 474 P CB -0.354 31.349 31.700 0.005 0.000 0.875 475 P HA 0.273 nan 4.420 nan 0.000 0.269 475 P C 0.021 177.312 177.300 -0.016 0.000 1.215 475 P CA 0.379 63.467 63.100 -0.019 0.000 0.780 475 P CB 0.632 32.300 31.700 -0.054 0.000 0.898 476 G N 1.039 109.829 108.800 -0.017 0.000 2.550 476 G HA2 0.413 4.401 3.960 0.047 0.000 0.293 476 G HA3 0.413 4.401 3.960 0.047 0.000 0.293 476 G C -2.599 172.291 174.900 -0.016 0.000 1.402 476 G CA -0.833 44.260 45.100 -0.012 0.000 0.784 476 G HN 0.080 nan 8.290 nan 0.000 0.482 477 P HA 0.058 nan 4.420 nan 0.000 0.218 477 P C 0.121 177.417 177.300 -0.008 0.000 1.149 477 P CA 1.267 64.359 63.100 -0.015 0.000 0.817 477 P CB 0.136 31.829 31.700 -0.011 0.000 0.785 478 K N -2.001 118.401 120.400 0.004 0.000 2.523 478 K HA 0.345 4.693 4.320 0.047 0.000 0.257 478 K C -0.398 176.217 176.600 0.026 0.000 0.932 478 K CA -0.854 55.442 56.287 0.015 0.000 0.812 478 K CB 1.744 34.254 32.500 0.016 0.000 1.326 478 K HN -0.302 nan 8.250 nan 0.000 0.433 479 R N -0.279 120.244 120.500 0.038 0.000 3.627 479 R HA -0.140 4.229 4.340 0.047 0.000 0.281 479 R C 0.120 176.450 176.300 0.049 0.000 1.140 479 R CA 1.253 57.383 56.100 0.049 0.000 0.761 479 R CB -2.210 28.118 30.300 0.047 0.000 1.181 479 R HN 1.017 nan 8.270 nan 0.000 0.472 480 G N -0.964 107.861 108.800 0.042 0.000 2.491 480 G HA2 0.633 4.621 3.960 0.047 0.000 0.327 480 G HA3 0.633 4.621 3.960 0.047 0.000 0.327 480 G C 0.304 175.238 174.900 0.057 0.000 1.189 480 G CA 0.066 45.189 45.100 0.037 0.000 0.956 480 G HN 0.250 nan 8.290 nan 0.000 0.491 481 G N -1.169 107.666 108.800 0.059 0.000 2.569 481 G HA2 0.404 4.392 3.960 0.047 0.000 0.249 481 G HA3 0.404 4.392 3.960 0.047 0.000 0.249 481 G C -0.580 174.381 174.900 0.101 0.000 1.216 481 G CA -0.521 44.636 45.100 0.096 0.000 0.845 481 G HN 0.475 nan 8.290 nan 0.000 0.568 482 F N 0.466 120.431 119.950 0.025 0.000 2.495 482 F HA 0.383 4.938 4.527 0.048 0.000 0.365 482 F C 0.540 176.355 175.800 0.024 0.000 1.090 482 F CA -0.116 57.895 58.000 0.018 0.000 1.235 482 F CB 0.850 39.864 39.000 0.022 0.000 1.119 482 F HN 0.455 nan 8.300 nan 0.000 0.562 483 E N 4.196 124.033 120.200 -0.606 0.000 2.275 483 E HA 0.306 4.685 4.350 0.047 0.000 0.270 483 E C -1.222 175.038 176.600 -0.566 0.000 0.882 483 E CA -0.765 55.439 56.400 -0.326 0.000 0.758 483 E CB 1.612 31.210 29.700 -0.169 0.000 1.195 483 E HN 0.632 nan 8.360 nan 0.000 0.419 484 S N 2.373 117.961 115.700 -0.187 0.000 2.585 484 S HA 0.039 4.537 4.470 0.047 0.000 0.273 484 S C -0.607 173.966 174.600 -0.045 0.000 1.339 484 S CA -0.382 57.780 58.200 -0.064 0.000 1.028 484 S CB 0.193 63.501 63.200 0.180 0.000 0.906 484 S HN 0.475 nan 8.310 nan 0.000 0.528 485 Y N 2.211 122.438 120.300 -0.121 0.000 2.526 485 Y HA 0.022 4.600 4.550 0.047 0.000 0.330 485 Y C 0.818 176.695 175.900 -0.039 0.000 1.156 485 Y CA 0.075 58.118 58.100 -0.096 0.000 1.419 485 Y CB 0.200 38.602 38.460 -0.096 0.000 1.250 485 Y HN 0.573 nan 8.280 nan 0.000 0.540 486 Q N 5.214 124.659 119.800 -0.592 0.000 3.254 486 Q HA 0.020 4.388 4.340 0.047 0.000 0.315 486 Q C -0.254 175.451 176.000 -0.490 0.000 1.405 486 Q CA -0.054 55.500 55.803 -0.415 0.000 0.966 486 Q CB -0.204 28.358 28.738 -0.294 0.000 1.706 486 Q HN 0.641 nan 8.270 nan 0.000 0.525 487 E N 1.713 121.699 120.200 -0.356 0.000 2.414 487 E HA -0.020 4.359 4.350 0.047 0.000 0.263 487 E C -0.101 176.464 176.600 -0.058 0.000 1.000 487 E CA -0.502 55.822 56.400 -0.126 0.000 0.914 487 E CB 0.622 30.387 29.700 0.109 0.000 0.948 487 E HN 0.171 nan 8.360 nan 0.000 0.444 488 R N 3.241 123.728 120.500 -0.021 0.000 2.401 488 R HA 0.176 4.544 4.340 0.047 0.000 0.299 488 R C -1.576 174.744 176.300 0.033 0.000 1.064 488 R CA -0.199 55.902 56.100 0.001 0.000 1.000 488 R CB 0.733 31.042 30.300 0.015 0.000 0.973 488 R HN 0.248 nan 8.270 nan 0.000 0.438 489 V N 4.893 124.820 119.914 0.021 0.000 2.495 489 V HA 0.478 4.626 4.120 0.047 0.000 0.298 489 V C -0.414 175.692 176.094 0.020 0.000 1.031 489 V CA -0.611 61.707 62.300 0.029 0.000 0.871 489 V CB 1.403 33.241 31.823 0.025 0.000 0.988 489 V HN 0.907 nan 8.190 nan 0.000 0.432 490 E N 2.812 123.026 120.200 0.023 0.000 2.307 490 E HA 0.642 5.020 4.350 0.047 0.000 0.280 490 E C -0.516 176.090 176.600 0.010 0.000 0.900 490 E CA -0.111 56.297 56.400 0.013 0.000 0.790 490 E CB 2.038 31.745 29.700 0.013 0.000 1.261 490 E HN 1.028 nan 8.360 nan 0.000 0.405 491 G N 2.667 111.468 108.800 0.001 0.000 2.336 491 G HA2 0.056 4.044 3.960 0.047 0.000 0.300 491 G HA3 0.056 4.044 3.960 0.047 0.000 0.300 491 G C -1.495 173.400 174.900 -0.009 0.000 1.375 491 G CA -1.009 44.088 45.100 -0.005 0.000 0.885 491 G HN 0.422 nan 8.290 nan 0.000 0.599 492 N N 0.139 118.831 118.700 -0.014 0.000 2.463 492 N HA 0.357 5.125 4.740 0.047 0.000 0.270 492 N C -0.072 175.425 175.510 -0.021 0.000 1.205 492 N CA -0.241 52.800 53.050 -0.016 0.000 0.974 492 N CB 0.931 39.407 38.487 -0.018 0.000 1.197 492 N HN 0.488 nan 8.380 nan 0.000 0.504 493 K N 0.899 121.286 120.400 -0.022 0.000 2.336 493 K HA 0.201 4.549 4.320 0.047 0.000 0.290 493 K C -0.407 176.173 176.600 -0.035 0.000 1.067 493 K CA -0.200 56.070 56.287 -0.027 0.000 0.962 493 K CB -0.073 32.412 32.500 -0.025 0.000 1.008 493 K HN 0.349 nan 8.250 nan 0.000 0.467 494 V N 0.229 120.117 119.914 -0.043 0.000 2.876 494 V HA 0.479 4.627 4.120 0.047 0.000 0.312 494 V C -0.481 175.572 176.094 -0.067 0.000 1.085 494 V CA -1.349 60.921 62.300 -0.051 0.000 0.945 494 V CB 2.033 33.828 31.823 -0.047 0.000 1.017 494 V HN 0.614 nan 8.190 nan 0.000 0.428 495 R N 2.352 122.807 120.500 -0.075 0.000 2.522 495 R HA 0.561 4.929 4.340 0.047 0.000 0.290 495 R C -0.452 175.798 176.300 -0.084 0.000 1.216 495 R CA -0.115 55.927 56.100 -0.097 0.000 1.250 495 R CB 0.685 30.915 30.300 -0.118 0.000 1.143 495 R HN 0.939 nan 8.270 nan 0.000 0.553 496 E N 1.948 122.095 120.200 -0.089 0.000 2.321 496 E HA 0.249 4.627 4.350 0.047 0.000 0.278 496 E C -1.229 175.301 176.600 -0.117 0.000 0.902 496 E CA -1.035 55.315 56.400 -0.083 0.000 0.758 496 E CB 1.631 31.290 29.700 -0.067 0.000 1.213 496 E HN 0.115 nan 8.360 nan 0.000 0.426 497 R N 1.688 122.123 120.500 -0.109 0.000 2.390 497 R HA 0.233 4.601 4.340 0.047 0.000 0.291 497 R C -0.539 175.649 176.300 -0.187 0.000 1.070 497 R CA 0.049 56.044 56.100 -0.175 0.000 1.014 497 R CB 1.264 31.515 30.300 -0.082 0.000 1.007 497 R HN 0.408 nan 8.270 nan 0.000 0.466 498 S N 4.575 120.065 115.700 -0.351 0.000 2.549 498 S HA 0.153 4.652 4.470 0.047 0.000 0.283 498 S C -1.552 173.030 174.600 -0.031 0.000 1.320 498 S CA -1.318 56.768 58.200 -0.189 0.000 1.058 498 S CB 0.739 63.792 63.200 -0.246 0.000 0.882 498 S HN 0.542 nan 8.310 nan 0.000 0.498 499 P HA -0.116 nan 4.420 nan 0.000 0.218 499 P C 1.552 178.906 177.300 0.089 0.000 1.148 499 P CA 1.308 64.433 63.100 0.042 0.000 0.822 499 P CB -0.159 31.555 31.700 0.023 0.000 0.784 500 S N -1.945 113.848 115.700 0.155 0.000 2.469 500 S HA -0.134 4.365 4.470 0.047 0.000 0.238 500 S C 1.509 176.259 174.600 0.251 0.000 0.998 500 S CA 0.932 59.250 58.200 0.197 0.000 0.957 500 S CB -1.434 61.916 63.200 0.250 0.000 0.764 500 S HN -0.023 nan 8.310 nan 0.000 0.514 501 F N 2.221 122.158 119.950 -0.022 0.000 2.743 501 F HA 0.375 4.930 4.527 0.047 0.000 0.297 501 F C 2.015 177.741 175.800 -0.123 0.000 1.131 501 F CA -0.692 57.288 58.000 -0.032 0.000 1.426 501 F CB -0.744 38.270 39.000 0.024 0.000 1.116 501 F HN 0.344 nan 8.300 nan 0.000 0.583 502 G N 0.733 109.527 108.800 -0.010 0.000 3.455 502 G HA2 0.096 4.084 3.960 0.047 0.000 0.250 502 G HA3 0.096 4.084 3.960 0.047 0.000 0.250 502 G C -0.075 174.404 174.900 -0.702 0.000 1.071 502 G CA 0.143 45.047 45.100 -0.325 0.000 1.812 502 G HN 0.045 nan 8.290 nan 0.000 0.643 503 E N 0.317 120.006 120.200 -0.852 0.000 2.274 503 E HA 0.289 4.668 4.350 0.047 0.000 0.269 503 E C -0.937 175.246 176.600 -0.696 0.000 0.891 503 E CA -0.765 55.241 56.400 -0.656 0.000 0.784 503 E CB 1.401 30.954 29.700 -0.246 0.000 1.225 503 E HN 0.237 nan 8.360 nan 0.000 0.412 504 Y N 2.759 122.845 120.300 -0.356 0.000 2.471 504 Y HA 0.207 4.785 4.550 0.047 0.000 0.249 504 Y C 0.617 176.238 175.900 -0.465 0.000 1.116 504 Y CA -0.114 57.685 58.100 -0.501 0.000 1.240 504 Y CB 0.441 38.443 38.460 -0.763 0.000 1.251 504 Y HN 0.421 nan 8.280 nan 0.000 0.527 505 Y N -1.508 118.880 120.300 0.147 0.000 2.430 505 Y HA 0.104 4.682 4.550 0.047 0.000 0.254 505 Y C 2.345 178.308 175.900 0.105 0.000 1.088 505 Y CA 0.078 58.258 58.100 0.133 0.000 1.267 505 Y CB -0.280 38.264 38.460 0.142 0.000 1.204 505 Y HN 0.059 nan 8.280 nan 0.000 0.515 506 S N -0.900 114.932 115.700 0.220 0.000 2.406 506 S HA -0.176 4.322 4.470 0.047 0.000 0.228 506 S C 1.419 176.091 174.600 0.121 0.000 1.020 506 S CA 1.490 59.798 58.200 0.180 0.000 0.965 506 S CB -0.498 62.811 63.200 0.182 0.000 0.798 506 S HN 0.423 nan 8.310 nan 0.000 0.488 507 H N 2.780 121.765 119.070 -0.141 0.000 2.363 507 H HA 0.194 4.778 4.556 0.047 0.000 0.301 507 H C -0.678 174.450 175.328 -0.333 0.000 1.074 507 H CA 1.273 57.078 56.048 -0.406 0.000 1.354 507 H CB -1.615 27.665 29.762 -0.803 0.000 1.397 507 H HN 0.382 nan 8.280 nan 0.000 0.516 508 P HA -0.156 nan 4.420 nan 0.000 0.215 508 P C 1.440 178.938 177.300 0.330 0.000 1.153 508 P CA 1.641 64.908 63.100 0.280 0.000 0.853 508 P CB 0.113 31.998 31.700 0.309 0.000 0.788 509 R N -0.513 120.127 120.500 0.233 0.000 2.075 509 R HA -0.096 4.272 4.340 0.047 0.000 0.232 509 R C 2.156 178.588 176.300 0.219 0.000 1.126 509 R CA 0.979 57.220 56.100 0.235 0.000 0.963 509 R CB -1.005 29.393 30.300 0.165 0.000 0.858 509 R HN 0.064 nan 8.270 nan 0.000 0.435 510 L N 0.364 121.659 121.223 0.119 0.000 2.046 510 L HA -0.127 4.242 4.340 0.047 0.000 0.208 510 L C 1.975 178.901 176.870 0.093 0.000 1.077 510 L CA 1.723 56.594 54.840 0.051 0.000 0.747 510 L CB -0.649 41.365 42.059 -0.074 0.000 0.896 510 L HN 0.227 nan 8.230 nan 0.000 0.432 511 F N -0.831 119.150 119.950 0.053 0.000 2.102 511 F HA -0.277 4.278 4.527 0.047 0.000 0.298 511 F C 2.308 178.109 175.800 0.001 0.000 1.105 511 F CA 2.090 60.103 58.000 0.022 0.000 1.239 511 F CB -0.593 38.469 39.000 0.103 0.000 0.991 511 F HN 0.377 nan 8.300 nan 0.000 0.474 512 W N 1.406 122.675 121.300 -0.053 0.000 2.335 512 W HA -0.247 4.441 4.660 0.047 0.000 0.311 512 W C 1.718 178.108 176.519 -0.215 0.000 1.213 512 W CA 1.831 59.093 57.345 -0.138 0.000 1.274 512 W CB -0.700 28.777 29.460 0.029 0.000 1.148 512 W HN 0.089 nan 8.180 nan 0.000 0.498 513 L N 1.050 122.159 121.223 -0.190 0.000 2.291 513 L HA -0.152 4.216 4.340 0.047 0.000 0.214 513 L C 2.411 179.078 176.870 -0.337 0.000 1.120 513 L CA 1.063 55.733 54.840 -0.283 0.000 0.799 513 L CB -0.711 41.316 42.059 -0.053 0.000 0.925 513 L HN -0.150 nan 8.230 nan 0.000 0.446 514 S N -1.384 114.105 115.700 -0.351 0.000 2.527 514 S HA 0.023 4.521 4.470 0.047 0.000 0.222 514 S C 0.785 175.103 174.600 -0.470 0.000 0.985 514 S CA 0.223 58.219 58.200 -0.340 0.000 0.921 514 S CB -0.011 63.024 63.200 -0.275 0.000 0.772 514 S HN 0.314 nan 8.310 nan 0.000 0.529 515 Q N 2.180 121.586 119.800 -0.657 0.000 2.306 515 Q HA 0.267 4.635 4.340 0.047 0.000 0.241 515 Q C 0.614 176.220 176.000 -0.656 0.000 0.948 515 Q CA -0.065 55.314 55.803 -0.707 0.000 0.886 515 Q CB 0.292 28.529 28.738 -0.835 0.000 1.227 515 Q HN 0.424 nan 8.270 nan 0.000 0.457 516 T N -1.871 112.254 114.554 -0.715 0.000 2.766 516 T HA 0.160 4.538 4.350 0.047 0.000 0.295 516 T C -1.737 172.512 174.700 -0.752 0.000 1.024 516 T CA -1.379 60.270 62.100 -0.750 0.000 1.018 516 T CB 0.315 68.492 68.868 -1.153 0.000 1.002 516 T HN 0.220 nan 8.240 nan 0.000 0.532 517 P HA -0.060 nan 4.420 nan 0.000 0.215 517 P C 1.453 178.546 177.300 -0.346 0.000 1.153 517 P CA 1.172 64.055 63.100 -0.361 0.000 0.853 517 P CB -0.279 31.321 31.700 -0.167 0.000 0.788 518 F N -0.001 119.752 119.950 -0.329 0.000 2.234 518 F HA 0.019 4.574 4.527 0.047 0.000 0.299 518 F C 1.877 177.308 175.800 -0.615 0.000 1.087 518 F CA 0.910 58.647 58.000 -0.438 0.000 1.340 518 F CB -1.555 37.180 39.000 -0.441 0.000 1.031 518 F HN -0.105 nan 8.300 nan 0.000 0.500 519 E N 0.522 120.148 120.200 -0.956 0.000 2.110 519 E HA -0.214 4.164 4.350 0.047 0.000 0.193 519 E C 2.231 178.622 176.600 -0.349 0.000 0.988 519 E CA 1.458 57.511 56.400 -0.579 0.000 0.804 519 E CB -0.256 29.053 29.700 -0.652 0.000 0.745 519 E HN 0.637 nan 8.360 nan 0.000 0.458 520 Q N 0.166 119.687 119.800 -0.465 0.000 2.084 520 Q HA -0.201 4.167 4.340 0.047 0.000 0.202 520 Q C 2.240 178.275 176.000 0.059 0.000 0.978 520 Q CA 1.317 56.890 55.803 -0.383 0.000 0.844 520 Q CB -0.137 28.118 28.738 -0.805 0.000 0.898 520 Q HN 0.020 nan 8.270 nan 0.000 0.426 521 R N 0.338 120.838 120.500 0.001 0.000 2.081 521 R HA -0.148 4.221 4.340 0.047 0.000 0.235 521 R C 1.652 178.123 176.300 0.285 0.000 1.131 521 R CA 1.813 58.002 56.100 0.148 0.000 0.960 521 R CB -0.349 30.015 30.300 0.107 0.000 0.856 521 R HN 0.455 nan 8.270 nan 0.000 0.436 522 H N -0.691 118.475 119.070 0.159 0.000 2.423 522 H HA -0.029 4.555 4.556 0.047 0.000 0.297 522 H C 2.015 177.456 175.328 0.189 0.000 1.075 522 H CA 1.236 57.390 56.048 0.177 0.000 1.342 522 H CB 0.017 29.891 29.762 0.187 0.000 1.395 522 H HN 0.191 nan 8.280 nan 0.000 0.530 523 I N 0.160 120.943 120.570 0.355 0.000 2.179 523 I HA -0.261 3.937 4.170 0.047 0.000 0.242 523 I C 2.328 178.724 176.117 0.464 0.000 1.088 523 I CA 0.797 62.337 61.300 0.400 0.000 1.357 523 I CB -0.173 38.157 38.000 0.549 0.000 1.051 523 I HN 0.081 nan 8.210 nan 0.000 0.409 524 V N 0.998 121.178 119.914 0.444 0.000 2.252 524 V HA -0.346 3.802 4.120 0.047 0.000 0.249 524 V C 2.112 178.377 176.094 0.286 0.000 1.056 524 V CA 2.227 64.736 62.300 0.347 0.000 1.022 524 V CB -0.693 31.293 31.823 0.273 0.000 0.641 524 V HN 0.424 nan 8.190 nan 0.000 0.445 525 D N 0.365 120.917 120.400 0.253 0.000 2.123 525 D HA -0.123 4.545 4.640 0.047 0.000 0.196 525 D C 2.160 178.539 176.300 0.132 0.000 0.992 525 D CA 1.638 55.755 54.000 0.195 0.000 0.833 525 D CB -0.673 40.247 40.800 0.200 0.000 0.954 525 D HN 0.490 nan 8.370 nan 0.000 0.455 526 G N -0.081 108.775 108.800 0.093 0.000 2.421 526 G HA2 -0.249 3.739 3.960 0.047 0.000 0.216 526 G HA3 -0.249 3.739 3.960 0.047 0.000 0.216 526 G C 1.493 176.399 174.900 0.010 0.000 1.171 526 G CA 0.216 45.282 45.100 -0.056 0.000 0.775 526 G HN 0.169 nan 8.290 nan 0.000 0.543 527 F N 1.869 121.856 119.950 0.062 0.000 2.095 527 F HA -0.093 4.462 4.527 0.047 0.000 0.298 527 F C 3.177 178.896 175.800 -0.136 0.000 1.104 527 F CA 1.653 59.625 58.000 -0.046 0.000 1.232 527 F CB -0.373 38.605 39.000 -0.036 0.000 0.987 527 F HN 0.088 nan 8.300 nan 0.000 0.475 528 S N -0.105 115.690 115.700 0.159 0.000 2.356 528 S HA -0.232 4.266 4.470 0.047 0.000 0.223 528 S C 1.879 176.502 174.600 0.038 0.000 1.032 528 S CA 1.443 59.684 58.200 0.070 0.000 1.005 528 S CB -0.839 62.424 63.200 0.105 0.000 0.867 528 S HN 0.425 nan 8.310 nan 0.000 0.449 529 F N 2.470 122.381 119.950 -0.064 0.000 2.113 529 F HA -0.081 4.474 4.527 0.046 0.000 0.297 529 F C 2.332 178.073 175.800 -0.098 0.000 1.103 529 F CA 1.428 59.382 58.000 -0.077 0.000 1.248 529 F CB -0.274 38.628 39.000 -0.164 0.000 0.999 529 F HN 0.125 nan 8.300 nan 0.000 0.475 530 E N 0.190 120.340 120.200 -0.083 0.000 2.051 530 E HA -0.199 4.179 4.350 0.047 0.000 0.192 530 E C 2.161 178.551 176.600 -0.349 0.000 0.991 530 E CA 1.165 57.477 56.400 -0.148 0.000 0.799 530 E CB -0.466 29.310 29.700 0.127 0.000 0.748 530 E HN 0.318 nan 8.360 nan 0.000 0.449 531 L N 1.165 122.111 121.223 -0.463 0.000 2.191 531 L HA -0.099 4.269 4.340 0.047 0.000 0.212 531 L C 2.288 178.995 176.870 -0.271 0.000 1.103 531 L CA 1.337 55.899 54.840 -0.465 0.000 0.769 531 L CB -0.830 40.977 42.059 -0.419 0.000 0.908 531 L HN -0.036 nan 8.230 nan 0.000 0.438 532 S N -0.715 114.841 115.700 -0.240 0.000 2.419 532 S HA -0.108 4.390 4.470 0.047 0.000 0.233 532 S C 1.641 176.130 174.600 -0.184 0.000 1.016 532 S CA 0.863 58.950 58.200 -0.189 0.000 0.974 532 S CB -0.061 63.025 63.200 -0.190 0.000 0.786 532 S HN 0.357 nan 8.310 nan 0.000 0.492 533 K N 1.129 121.391 120.400 -0.230 0.000 2.404 533 K HA 0.232 4.580 4.320 0.047 0.000 0.194 533 K C -0.043 176.548 176.600 -0.015 0.000 1.023 533 K CA 0.066 56.276 56.287 -0.128 0.000 1.094 533 K CB -0.047 32.359 32.500 -0.157 0.000 0.841 533 K HN 0.188 nan 8.250 nan 0.000 0.523 534 V N 2.236 122.121 119.914 -0.048 0.000 2.408 534 V HA 0.001 4.149 4.120 0.047 0.000 0.267 534 V C 1.726 177.806 176.094 -0.023 0.000 1.047 534 V CA -0.079 62.220 62.300 -0.001 0.000 0.937 534 V CB 1.307 33.098 31.823 -0.054 0.000 0.999 534 V HN -0.116 nan 8.190 nan 0.000 0.472 535 V N 5.331 125.254 119.914 0.014 0.000 2.427 535 V HA -0.062 4.086 4.120 0.047 0.000 0.248 535 V C 1.323 177.403 176.094 -0.022 0.000 1.051 535 V CA 1.341 63.645 62.300 0.007 0.000 1.048 535 V CB -0.479 31.366 31.823 0.037 0.000 0.666 535 V HN 0.758 nan 8.190 nan 0.000 0.456 536 R N 0.913 121.373 120.500 -0.066 0.000 2.220 536 R HA 0.193 4.561 4.340 0.047 0.000 0.340 536 R C -1.722 174.464 176.300 -0.189 0.000 1.076 536 R CA -1.495 54.539 56.100 -0.109 0.000 0.920 536 R CB 0.563 30.739 30.300 -0.207 0.000 1.062 536 R HN 0.243 nan 8.270 nan 0.000 0.469 537 P HA -0.213 nan 4.420 nan 0.000 0.218 537 P C 0.740 178.021 177.300 -0.031 0.000 1.148 537 P CA 1.197 64.275 63.100 -0.038 0.000 0.822 537 P CB -0.024 31.685 31.700 0.015 0.000 0.784 538 Y N -1.391 118.909 120.300 0.000 0.000 2.274 538 Y HA -0.076 4.503 4.550 0.047 0.000 0.290 538 Y C 1.988 177.894 175.900 0.009 0.000 1.145 538 Y CA 0.707 58.808 58.100 0.002 0.000 1.203 538 Y CB -1.731 36.730 38.460 0.003 0.000 0.984 538 Y HN -0.126 nan 8.280 nan 0.000 0.533 539 I N 0.940 121.109 120.570 -0.669 0.000 2.226 539 I HA -0.261 3.937 4.170 0.047 0.000 0.245 539 I C 2.523 178.558 176.117 -0.138 0.000 1.100 539 I CA 1.481 62.556 61.300 -0.376 0.000 1.374 539 I CB -0.398 37.369 38.000 -0.388 0.000 1.057 539 I HN 0.210 nan 8.210 nan 0.000 0.413 540 R N 0.809 121.219 120.500 -0.150 0.000 2.081 540 R HA -0.186 4.183 4.340 0.047 0.000 0.235 540 R C 2.141 178.396 176.300 -0.075 0.000 1.131 540 R CA 1.521 57.546 56.100 -0.126 0.000 0.960 540 R CB -0.422 29.801 30.300 -0.129 0.000 0.856 540 R HN 0.461 nan 8.270 nan 0.000 0.436 541 E N 0.490 120.669 120.200 -0.035 0.000 2.077 541 E HA -0.181 4.197 4.350 0.047 0.000 0.193 541 E C 2.145 178.753 176.600 0.013 0.000 0.989 541 E CA 1.129 57.527 56.400 -0.003 0.000 0.800 541 E CB -0.052 29.670 29.700 0.037 0.000 0.746 541 E HN 0.292 nan 8.360 nan 0.000 0.452 542 R N 0.346 120.869 120.500 0.039 0.000 2.092 542 R HA -0.093 4.276 4.340 0.047 0.000 0.231 542 R C 2.424 178.747 176.300 0.039 0.000 1.119 542 R CA 0.998 57.130 56.100 0.054 0.000 0.970 542 R CB -0.267 30.085 30.300 0.087 0.000 0.864 542 R HN 0.053 nan 8.270 nan 0.000 0.440 543 V N 0.400 120.333 119.914 0.032 0.000 2.358 543 V HA -0.200 3.948 4.120 0.047 0.000 0.246 543 V C 2.290 178.363 176.094 -0.034 0.000 1.047 543 V CA 1.498 63.827 62.300 0.047 0.000 1.035 543 V CB -0.272 31.594 31.823 0.072 0.000 0.658 543 V HN 0.124 nan 8.190 nan 0.000 0.452 544 V N 0.516 120.386 119.914 -0.073 0.000 2.407 544 V HA -0.316 3.833 4.120 0.047 0.000 0.248 544 V C 2.295 178.349 176.094 -0.068 0.000 1.055 544 V CA 2.468 64.702 62.300 -0.110 0.000 1.049 544 V CB -0.681 31.083 31.823 -0.098 0.000 0.662 544 V HN 0.667 nan 8.190 nan 0.000 0.455 545 D N -0.852 119.541 120.400 -0.011 0.000 2.117 545 D HA -0.197 4.471 4.640 0.047 0.000 0.197 545 D C 2.262 178.637 176.300 0.126 0.000 0.987 545 D CA 1.099 55.127 54.000 0.047 0.000 0.829 545 D CB 0.002 40.844 40.800 0.071 0.000 0.961 545 D HN 0.309 nan 8.370 nan 0.000 0.460 546 Q N -0.161 119.674 119.800 0.059 0.000 2.124 546 Q HA -0.077 4.291 4.340 0.047 0.000 0.202 546 Q C 2.539 178.557 176.000 0.031 0.000 0.977 546 Q CA 0.664 56.498 55.803 0.051 0.000 0.850 546 Q CB -0.323 28.471 28.738 0.093 0.000 0.901 546 Q HN 0.459 nan 8.270 nan 0.000 0.429 547 L N 0.033 121.216 121.223 -0.067 0.000 2.083 547 L HA -0.128 4.240 4.340 0.047 0.000 0.209 547 L C 2.305 179.067 176.870 -0.180 0.000 1.083 547 L CA 0.986 55.712 54.840 -0.189 0.000 0.752 547 L CB -0.641 41.200 42.059 -0.363 0.000 0.899 547 L HN 0.094 nan 8.230 nan 0.000 0.433 548 A N -0.807 121.935 122.820 -0.130 0.000 2.121 548 A HA -0.201 4.147 4.320 0.047 0.000 0.218 548 A C 1.726 179.160 177.584 -0.251 0.000 1.154 548 A CA 1.260 53.191 52.037 -0.178 0.000 0.679 548 A CB -0.711 18.193 19.000 -0.161 0.000 0.795 548 A HN 0.449 nan 8.150 nan 0.000 0.458 549 H N -1.260 117.605 119.070 -0.342 0.000 2.551 549 H HA 0.266 4.850 4.556 0.047 0.000 0.266 549 H C 1.590 176.651 175.328 -0.445 0.000 0.964 549 H CA 0.942 56.660 56.048 -0.550 0.000 1.180 549 H CB 0.080 29.102 29.762 -1.233 0.000 1.408 549 H HN 0.502 nan 8.280 nan 0.000 0.563 550 I N -1.116 119.365 120.570 -0.148 0.000 2.681 550 I HA 0.071 4.269 4.170 0.047 0.000 0.247 550 I C -0.127 175.925 176.117 -0.108 0.000 1.091 550 I CA 0.494 61.772 61.300 -0.038 0.000 1.442 550 I CB 0.643 38.649 38.000 0.011 0.000 1.219 550 I HN 0.096 nan 8.210 nan 0.000 0.451 551 D N -0.362 119.899 120.400 -0.230 0.000 2.931 551 D HA 0.146 4.814 4.640 0.047 0.000 0.215 551 D C 0.353 176.496 176.300 -0.262 0.000 1.297 551 D CA -0.384 53.465 54.000 -0.251 0.000 0.892 551 D CB 1.407 41.944 40.800 -0.439 0.000 1.642 551 D HN -0.077 nan 8.370 nan 0.000 0.560 552 L N 3.020 124.147 121.223 -0.160 0.000 2.079 552 L HA -0.102 4.266 4.340 0.047 0.000 0.210 552 L C 1.304 178.099 176.870 -0.126 0.000 1.081 552 L CA 2.054 56.812 54.840 -0.136 0.000 0.752 552 L CB -0.702 41.305 42.059 -0.088 0.000 0.896 552 L HN 0.607 nan 8.230 nan 0.000 0.433 553 T N 0.661 115.165 114.554 -0.083 0.000 2.746 553 T HA -0.204 4.175 4.350 0.047 0.000 0.267 553 T C 1.830 176.470 174.700 -0.100 0.000 1.039 553 T CA 1.540 63.629 62.100 -0.019 0.000 1.142 553 T CB -0.348 68.594 68.868 0.124 0.000 0.866 553 T HN 0.308 nan 8.240 nan 0.000 0.444 554 L N 1.705 122.718 121.223 -0.351 0.000 2.012 554 L HA 0.041 4.409 4.340 0.047 0.000 0.210 554 L C 2.603 179.248 176.870 -0.376 0.000 1.073 554 L CA 2.103 56.577 54.840 -0.611 0.000 0.748 554 L CB -1.139 40.118 42.059 -1.338 0.000 0.891 554 L HN 0.208 nan 8.230 nan 0.000 0.431 555 A N -1.035 121.584 122.820 -0.335 0.000 1.877 555 A HA -0.260 4.088 4.320 0.047 0.000 0.216 555 A C 2.229 179.714 177.584 -0.164 0.000 1.186 555 A CA 1.924 53.810 52.037 -0.251 0.000 0.620 555 A CB -0.683 18.190 19.000 -0.211 0.000 0.822 555 A HN 0.693 nan 8.150 nan 0.000 0.443 556 Q N -0.824 118.902 119.800 -0.123 0.000 2.084 556 Q HA -0.105 4.264 4.340 0.047 0.000 0.202 556 Q C 2.443 178.413 176.000 -0.050 0.000 0.978 556 Q CA 1.351 57.111 55.803 -0.073 0.000 0.844 556 Q CB -0.363 28.346 28.738 -0.048 0.000 0.898 556 Q HN 0.695 nan 8.270 nan 0.000 0.426 557 A N 0.216 123.011 122.820 -0.041 0.000 1.898 557 A HA -0.126 4.222 4.320 0.047 0.000 0.216 557 A C 2.302 179.882 177.584 -0.006 0.000 1.181 557 A CA 1.263 53.301 52.037 0.002 0.000 0.620 557 A CB -0.596 18.434 19.000 0.050 0.000 0.819 557 A HN 0.208 nan 8.150 nan 0.000 0.442 558 V N -0.110 119.772 119.914 -0.052 0.000 2.358 558 V HA -0.219 3.929 4.120 0.047 0.000 0.246 558 V C 3.059 179.118 176.094 -0.058 0.000 1.047 558 V CA 1.824 64.091 62.300 -0.055 0.000 1.035 558 V CB -1.277 30.458 31.823 -0.147 0.000 0.658 558 V HN 0.604 nan 8.190 nan 0.000 0.452 559 A N -0.079 122.695 122.820 -0.076 0.000 1.908 559 A HA -0.305 4.043 4.320 0.047 0.000 0.218 559 A C 2.345 179.909 177.584 -0.033 0.000 1.181 559 A CA 2.368 54.368 52.037 -0.060 0.000 0.627 559 A CB -0.528 18.434 19.000 -0.063 0.000 0.818 559 A HN 0.539 nan 8.150 nan 0.000 0.445 560 K N -0.524 119.864 120.400 -0.021 0.000 2.097 560 K HA -0.160 4.188 4.320 0.047 0.000 0.206 560 K C 1.421 178.025 176.600 0.007 0.000 1.049 560 K CA 1.471 57.756 56.287 -0.003 0.000 0.933 560 K CB -0.172 32.332 32.500 0.007 0.000 0.717 560 K HN 0.416 nan 8.250 nan 0.000 0.442 561 N N 0.649 119.356 118.700 0.012 0.000 2.396 561 N HA -0.080 4.688 4.740 0.047 0.000 0.180 561 N C 1.178 176.691 175.510 0.006 0.000 1.028 561 N CA 0.809 53.873 53.050 0.023 0.000 0.893 561 N CB 0.135 38.648 38.487 0.043 0.000 0.967 561 N HN 0.264 nan 8.380 nan 0.000 0.440 562 L N -0.767 120.448 121.223 -0.014 0.000 2.640 562 L HA 0.262 4.630 4.340 0.047 0.000 0.230 562 L C 0.839 177.697 176.870 -0.020 0.000 1.123 562 L CA -0.127 54.696 54.840 -0.028 0.000 0.900 562 L CB -0.097 41.930 42.059 -0.053 0.000 1.146 562 L HN 0.064 nan 8.230 nan 0.000 0.484 563 G N 1.706 110.500 108.800 -0.011 0.000 2.273 563 G HA2 -0.287 3.701 3.960 0.047 0.000 0.280 563 G HA3 -0.287 3.701 3.960 0.047 0.000 0.280 563 G C -0.019 174.874 174.900 -0.012 0.000 1.047 563 G CA 0.155 45.251 45.100 -0.007 0.000 0.869 563 G HN 0.339 nan 8.290 nan 0.000 0.502 564 I N -0.236 120.323 120.570 -0.019 0.000 2.493 564 I HA 0.415 4.613 4.170 0.047 0.000 0.298 564 I C 0.240 176.343 176.117 -0.022 0.000 0.998 564 I CA -0.735 60.551 61.300 -0.022 0.000 1.137 564 I CB 1.728 39.709 38.000 -0.032 0.000 1.310 564 I HN 0.076 nan 8.210 nan 0.000 0.445 565 E N 5.958 126.147 120.200 -0.019 0.000 2.151 565 E HA 0.452 4.830 4.350 0.047 0.000 0.275 565 E C -1.012 175.573 176.600 -0.025 0.000 0.936 565 E CA -0.700 55.688 56.400 -0.020 0.000 0.777 565 E CB 1.930 31.622 29.700 -0.014 0.000 1.108 565 E HN 0.402 nan 8.360 nan 0.000 0.401 566 L N 2.663 123.866 121.223 -0.033 0.000 2.439 566 L HA 0.149 4.517 4.340 0.047 0.000 0.269 566 L C 1.117 177.967 176.870 -0.034 0.000 1.179 566 L CA -0.230 54.586 54.840 -0.040 0.000 0.828 566 L CB 0.259 42.286 42.059 -0.055 0.000 1.106 566 L HN 0.639 nan 8.230 nan 0.000 0.467 567 T N -2.372 112.162 114.554 -0.034 0.000 2.816 567 T HA 0.095 4.473 4.350 0.047 0.000 0.282 567 T C 0.637 175.315 174.700 -0.036 0.000 0.993 567 T CA -0.597 61.485 62.100 -0.029 0.000 0.994 567 T CB 1.101 69.955 68.868 -0.024 0.000 1.025 567 T HN 0.578 nan 8.240 nan 0.000 0.529 568 D N 0.158 120.540 120.400 -0.031 0.000 2.144 568 D HA -0.063 4.606 4.640 0.047 0.000 0.199 568 D C 1.555 177.829 176.300 -0.043 0.000 0.984 568 D CA 1.175 55.155 54.000 -0.034 0.000 0.834 568 D CB -0.068 40.717 40.800 -0.025 0.000 0.955 568 D HN 0.579 nan 8.370 nan 0.000 0.465 569 D N 0.139 120.514 120.400 -0.041 0.000 2.104 569 D HA -0.147 4.521 4.640 0.047 0.000 0.194 569 D C 2.039 178.290 176.300 -0.082 0.000 0.994 569 D CA 0.876 54.845 54.000 -0.051 0.000 0.830 569 D CB -0.258 40.520 40.800 -0.037 0.000 0.959 569 D HN 0.329 nan 8.370 nan 0.000 0.452 570 Q N -0.423 119.328 119.800 -0.081 0.000 2.124 570 Q HA -0.104 4.264 4.340 0.047 0.000 0.202 570 Q C 1.901 177.826 176.000 -0.126 0.000 0.977 570 Q CA 0.537 56.270 55.803 -0.116 0.000 0.850 570 Q CB -0.010 28.676 28.738 -0.086 0.000 0.901 570 Q HN 0.177 nan 8.270 nan 0.000 0.429 571 L N 0.698 121.867 121.223 -0.090 0.000 2.265 571 L HA -0.134 4.234 4.340 0.047 0.000 0.215 571 L C 0.865 177.685 176.870 -0.083 0.000 1.117 571 L CA 1.657 56.449 54.840 -0.080 0.000 0.782 571 L CB -0.535 41.490 42.059 -0.056 0.000 0.914 571 L HN 0.236 nan 8.230 nan 0.000 0.441 572 N N -1.398 117.250 118.700 -0.087 0.000 2.235 572 N HA 0.181 4.949 4.740 0.047 0.000 0.209 572 N C 0.152 175.598 175.510 -0.106 0.000 1.122 572 N CA -0.230 52.773 53.050 -0.079 0.000 0.845 572 N CB 0.562 39.013 38.487 -0.059 0.000 1.004 572 N HN 0.187 nan 8.380 nan 0.000 0.499 573 I N 1.950 122.423 120.570 -0.162 0.000 2.587 573 I HA -0.053 4.145 4.170 0.047 0.000 0.284 573 I C 0.416 176.438 176.117 -0.159 0.000 1.134 573 I CA 0.187 61.354 61.300 -0.223 0.000 1.410 573 I CB 0.404 38.144 38.000 -0.434 0.000 1.392 573 I HN 0.064 nan 8.210 nan 0.000 0.545 574 T N 8.025 122.513 114.554 -0.109 0.000 2.902 574 T HA 0.125 4.503 4.350 0.047 0.000 0.301 574 T C -2.053 172.610 174.700 -0.062 0.000 1.012 574 T CA -0.900 61.163 62.100 -0.062 0.000 1.151 574 T CB -0.093 68.759 68.868 -0.027 0.000 0.946 574 T HN 0.376 nan 8.240 nan 0.000 0.542 575 P HA 0.222 nan 4.420 nan 0.000 0.269 575 P C -2.316 175.000 177.300 0.027 0.000 1.215 575 P CA -1.441 61.648 63.100 -0.018 0.000 0.780 575 P CB -0.509 31.191 31.700 0.000 0.000 0.898 576 P HA 0.209 nan 4.420 nan 0.000 0.272 576 P C -2.435 174.921 177.300 0.092 0.000 1.230 576 P CA -1.233 61.937 63.100 0.118 0.000 0.788 576 P CB -1.000 30.819 31.700 0.198 0.000 0.949 577 P HA 0.087 nan 4.420 nan 0.000 0.272 577 P C -0.375 176.973 177.300 0.081 0.000 1.240 577 P CA -0.013 63.134 63.100 0.078 0.000 0.791 577 P CB 0.078 31.825 31.700 0.078 0.000 0.978 578 D N -0.722 119.718 120.400 0.067 0.000 2.363 578 D HA 0.082 4.750 4.640 0.047 0.000 0.240 578 D C -0.474 175.873 176.300 0.079 0.000 1.236 578 D CA -0.269 53.767 54.000 0.061 0.000 0.927 578 D CB -0.135 40.695 40.800 0.049 0.000 1.150 578 D HN -0.016 nan 8.370 nan 0.000 0.458 579 V N 1.541 121.492 119.914 0.062 0.000 2.320 579 V HA 0.156 4.304 4.120 0.047 0.000 0.265 579 V C -0.016 176.167 176.094 0.148 0.000 1.048 579 V CA -0.757 61.606 62.300 0.105 0.000 0.865 579 V CB -0.811 30.986 31.823 -0.043 0.000 1.043 579 V HN 0.704 nan 8.190 nan 0.000 0.474 580 N N 4.452 123.256 118.700 0.174 0.000 2.714 580 N HA -0.221 4.547 4.740 0.047 0.000 0.252 580 N C 1.185 176.751 175.510 0.093 0.000 1.014 580 N CA 1.130 54.264 53.050 0.140 0.000 0.735 580 N CB -0.881 37.727 38.487 0.203 0.000 0.924 580 N HN 1.276 nan 8.380 nan 0.000 0.540 581 G N -2.009 106.834 108.800 0.071 0.000 2.205 581 G HA2 -0.331 3.658 3.960 0.047 0.000 0.261 581 G HA3 -0.331 3.658 3.960 0.047 0.000 0.261 581 G C 0.135 175.063 174.900 0.046 0.000 0.980 581 G CA 0.410 45.541 45.100 0.051 0.000 0.632 581 G HN 0.410 nan 8.290 nan 0.000 0.533 582 L N -0.102 121.153 121.223 0.052 0.000 2.326 582 L HA 0.526 4.895 4.340 0.047 0.000 0.278 582 L C 1.164 178.048 176.870 0.022 0.000 1.092 582 L CA -0.261 54.600 54.840 0.036 0.000 0.810 582 L CB 1.417 43.498 42.059 0.037 0.000 1.153 582 L HN 0.065 nan 8.230 nan 0.000 0.439 583 K N 2.811 123.219 120.400 0.013 0.000 2.438 583 K HA 0.194 4.543 4.320 0.047 0.000 0.205 583 K C -0.854 175.738 176.600 -0.013 0.000 1.033 583 K CA -0.164 56.128 56.287 0.008 0.000 1.089 583 K CB 0.521 33.027 32.500 0.010 0.000 0.857 583 K HN 0.534 nan 8.250 nan 0.000 0.522 584 K N -0.492 119.897 120.400 -0.019 0.000 2.842 584 K HA 0.172 4.521 4.320 0.047 0.000 0.291 584 K C -2.323 174.261 176.600 -0.026 0.000 1.089 584 K CA -0.911 55.349 56.287 -0.044 0.000 0.883 584 K CB 1.074 33.530 32.500 -0.072 0.000 1.423 584 K HN -0.170 nan 8.250 nan 0.000 0.368 585 D N 2.580 122.960 120.400 -0.033 0.000 2.375 585 D HA 0.290 4.958 4.640 0.047 0.000 0.241 585 D C -2.109 174.181 176.300 -0.017 0.000 1.361 585 D CA -1.959 52.041 54.000 0.000 0.000 0.995 585 D CB 2.125 42.947 40.800 0.036 0.000 1.312 585 D HN 0.279 nan 8.370 nan 0.000 0.576 586 P HA -0.112 nan 4.420 nan 0.000 0.223 586 P C 1.250 178.549 177.300 -0.001 0.000 1.144 586 P CA 0.818 63.896 63.100 -0.038 0.000 0.783 586 P CB 0.108 31.794 31.700 -0.023 0.000 0.771 587 S N -1.216 114.516 115.700 0.053 0.000 2.547 587 S HA -0.029 4.470 4.470 0.047 0.000 0.235 587 S C 1.639 176.335 174.600 0.160 0.000 0.980 587 S CA 0.622 58.891 58.200 0.114 0.000 0.941 587 S CB -1.342 61.950 63.200 0.153 0.000 0.763 587 S HN 0.147 nan 8.310 nan 0.000 0.532 588 L N 1.137 122.422 121.223 0.103 0.000 2.509 588 L HA 0.239 4.607 4.340 0.047 0.000 0.222 588 L C 1.432 178.232 176.870 -0.118 0.000 1.123 588 L CA 0.022 54.932 54.840 0.116 0.000 0.856 588 L CB -0.193 41.937 42.059 0.119 0.000 0.985 588 L HN 0.315 nan 8.230 nan 0.000 0.456 589 S N -0.411 115.191 115.700 -0.163 0.000 2.610 589 S HA 0.298 4.796 4.470 0.047 0.000 0.273 589 S C 1.052 175.544 174.600 -0.180 0.000 1.274 589 S CA -0.600 57.443 58.200 -0.262 0.000 1.023 589 S CB 1.366 64.407 63.200 -0.265 0.000 0.962 589 S HN 0.164 nan 8.310 nan 0.000 0.523 590 L N 2.642 123.675 121.223 -0.318 0.000 2.179 590 L HA 0.061 4.429 4.340 0.047 0.000 0.208 590 L C 0.839 177.457 176.870 -0.419 0.000 1.096 590 L CA 1.003 55.562 54.840 -0.468 0.000 0.779 590 L CB -0.217 41.245 42.059 -0.994 0.000 0.922 590 L HN 0.765 nan 8.230 nan 0.000 0.443 591 Y N -2.260 118.044 120.300 0.007 0.000 2.432 591 Y HA 0.334 4.912 4.550 0.047 0.000 0.252 591 Y C 2.139 178.059 175.900 0.033 0.000 1.097 591 Y CA -0.226 57.924 58.100 0.084 0.000 1.250 591 Y CB -0.537 38.015 38.460 0.153 0.000 1.245 591 Y HN -0.038 nan 8.280 nan 0.000 0.522 592 A N 0.925 123.770 122.820 0.043 0.000 1.903 592 A HA -0.142 4.206 4.320 0.047 0.000 0.219 592 A C 1.044 178.661 177.584 0.055 0.000 1.191 592 A CA 1.306 53.339 52.037 -0.007 0.000 0.638 592 A CB -0.816 18.130 19.000 -0.090 0.000 0.823 592 A HN 0.301 nan 8.150 nan 0.000 0.451 593 I N 1.042 121.654 120.570 0.069 0.000 2.347 593 I HA 0.214 4.412 4.170 0.047 0.000 0.283 593 I C -2.518 173.672 176.117 0.122 0.000 1.058 593 I CA -2.129 59.220 61.300 0.082 0.000 1.202 593 I CB 1.145 39.183 38.000 0.063 0.000 1.386 593 I HN 0.017 nan 8.210 nan 0.000 0.475 594 P HA -0.071 nan 4.420 nan 0.000 0.257 594 P C -0.294 177.090 177.300 0.140 0.000 1.162 594 P CA 0.484 63.687 63.100 0.172 0.000 0.762 594 P CB 0.297 32.083 31.700 0.144 0.000 0.753 595 D N 1.507 122.003 120.400 0.159 0.000 2.785 595 D HA 0.124 4.792 4.640 0.047 0.000 0.324 595 D C 0.332 176.699 176.300 0.111 0.000 1.523 595 D CA -0.499 53.572 54.000 0.118 0.000 0.789 595 D CB -0.364 40.500 40.800 0.108 0.000 1.171 595 D HN 0.282 nan 8.370 nan 0.000 0.447 596 G N 0.216 109.090 108.800 0.124 0.000 2.380 596 G HA2 0.366 4.354 3.960 0.047 0.000 0.262 596 G HA3 0.366 4.354 3.960 0.047 0.000 0.262 596 G C -0.708 174.231 174.900 0.064 0.000 1.243 596 G CA -0.225 44.938 45.100 0.105 0.000 0.865 596 G HN 0.155 nan 8.290 nan 0.000 0.513 597 D N 1.482 121.909 120.400 0.045 0.000 2.391 597 D HA 0.220 4.888 4.640 0.047 0.000 0.245 597 D C 1.185 177.493 176.300 0.014 0.000 1.069 597 D CA -0.708 53.305 54.000 0.021 0.000 0.831 597 D CB 2.068 42.874 40.800 0.009 0.000 1.204 597 D HN 0.233 nan 8.370 nan 0.000 0.503 598 V N 1.866 121.780 119.914 0.001 0.000 3.506 598 V HA 0.229 4.377 4.120 0.047 0.000 0.263 598 V C 1.007 177.076 176.094 -0.042 0.000 1.203 598 V CA 0.059 62.353 62.300 -0.009 0.000 1.133 598 V CB -0.677 31.136 31.823 -0.015 0.000 0.802 598 V HN 0.395 nan 8.190 nan 0.000 0.459 599 K N 1.308 121.677 120.400 -0.052 0.000 2.447 599 K HA 0.377 4.725 4.320 0.047 0.000 0.281 599 K C 1.244 177.792 176.600 -0.086 0.000 1.031 599 K CA 1.102 57.335 56.287 -0.090 0.000 1.019 599 K CB 0.072 32.527 32.500 -0.075 0.000 0.918 599 K HN 0.716 nan 8.250 nan 0.000 0.476 600 G N 3.341 112.050 108.800 -0.151 0.000 2.213 600 G HA2 -0.198 3.790 3.960 0.047 0.000 0.236 600 G HA3 -0.198 3.790 3.960 0.047 0.000 0.236 600 G C 0.032 174.952 174.900 0.034 0.000 0.991 600 G CA -0.363 44.715 45.100 -0.037 0.000 0.629 600 G HN 0.551 nan 8.290 nan 0.000 0.517 601 R N -0.057 120.435 120.500 -0.013 0.000 2.649 601 R HA 0.669 5.038 4.340 0.047 0.000 0.270 601 R C 0.173 176.513 176.300 0.066 0.000 1.105 601 R CA -0.098 56.032 56.100 0.050 0.000 1.193 601 R CB 0.755 31.081 30.300 0.043 0.000 1.120 601 R HN 0.385 nan 8.270 nan 0.000 0.561 602 V N 0.473 120.454 119.914 0.111 0.000 2.789 602 V HA 0.414 4.562 4.120 0.047 0.000 0.311 602 V C -0.344 175.813 176.094 0.104 0.000 1.073 602 V CA -0.948 61.434 62.300 0.137 0.000 0.921 602 V CB 2.370 34.298 31.823 0.175 0.000 1.009 602 V HN 0.371 nan 8.190 nan 0.000 0.426 603 V N 2.488 122.459 119.914 0.094 0.000 2.495 603 V HA 0.784 4.932 4.120 0.047 0.000 0.298 603 V C 0.405 176.553 176.094 0.090 0.000 1.031 603 V CA -0.607 61.740 62.300 0.078 0.000 0.871 603 V CB 1.848 33.701 31.823 0.051 0.000 0.988 603 V HN 1.068 nan 8.190 nan 0.000 0.432 604 A N 5.985 128.865 122.820 0.101 0.000 2.328 604 A HA 0.784 5.132 4.320 0.047 0.000 0.284 604 A C -0.457 177.137 177.584 0.017 0.000 1.160 604 A CA -0.222 51.863 52.037 0.080 0.000 0.818 604 A CB 0.047 19.131 19.000 0.140 0.000 1.087 604 A HN 0.779 nan 8.150 nan 0.000 0.504 605 I N 3.344 123.919 120.570 0.008 0.000 2.382 605 I HA 0.170 4.368 4.170 0.047 0.000 0.285 605 I C -1.026 175.096 176.117 0.008 0.000 1.007 605 I CA -0.685 60.621 61.300 0.010 0.000 1.142 605 I CB 1.544 39.564 38.000 0.034 0.000 1.289 605 I HN 0.359 nan 8.210 nan 0.000 0.453 606 L N 7.615 128.830 121.223 -0.012 0.000 2.295 606 L HA 0.357 4.725 4.340 0.047 0.000 0.288 606 L C 0.172 177.138 176.870 0.160 0.000 1.079 606 L CA 0.169 55.058 54.840 0.082 0.000 0.830 606 L CB 0.118 42.093 42.059 -0.140 0.000 1.200 606 L HN 0.423 nan 8.230 nan 0.000 0.438 607 L N 3.511 124.873 121.223 0.231 0.000 2.466 607 L HA 0.342 4.710 4.340 0.047 0.000 0.257 607 L C 0.324 177.374 176.870 0.301 0.000 1.189 607 L CA -0.463 54.475 54.840 0.162 0.000 0.813 607 L CB 0.750 42.813 42.059 0.006 0.000 1.118 607 L HN 0.756 nan 8.230 nan 0.000 0.471 608 N N -2.175 116.598 118.700 0.121 0.000 2.761 608 N HA 0.238 5.006 4.740 0.047 0.000 0.283 608 N C -0.435 175.038 175.510 -0.061 0.000 1.377 608 N CA -0.770 52.403 53.050 0.204 0.000 0.791 608 N CB 0.686 39.287 38.487 0.191 0.000 1.540 608 N HN 0.522 nan 8.380 nan 0.000 0.539 609 D N -2.084 118.328 120.400 0.020 0.000 2.363 609 D HA -0.038 4.630 4.640 0.047 0.000 0.226 609 D C -0.053 176.207 176.300 -0.066 0.000 1.020 609 D CA 0.669 54.614 54.000 -0.090 0.000 0.892 609 D CB -0.037 40.789 40.800 0.044 0.000 0.900 609 D HN 0.734 nan 8.370 nan 0.000 0.531 610 E N 0.307 120.486 120.200 -0.036 0.000 4.176 610 E HA 0.183 4.561 4.350 0.047 0.000 0.222 610 E C -1.104 175.482 176.600 -0.023 0.000 1.142 610 E CA -0.479 55.904 56.400 -0.029 0.000 1.400 610 E CB 0.154 29.848 29.700 -0.009 0.000 1.206 610 E HN -0.078 nan 8.360 nan 0.000 0.413 611 V N 1.739 121.630 119.914 -0.038 0.000 2.814 611 V HA -0.042 4.106 4.120 0.047 0.000 0.307 611 V C 0.831 176.910 176.094 -0.025 0.000 1.089 611 V CA 0.544 62.830 62.300 -0.025 0.000 1.212 611 V CB 0.372 32.173 31.823 -0.036 0.000 0.912 611 V HN 0.470 nan 8.190 nan 0.000 0.497 612 R N 3.891 124.378 120.500 -0.021 0.000 2.351 612 R HA 0.108 4.476 4.340 0.047 0.000 0.321 612 R C 1.604 177.884 176.300 -0.032 0.000 1.182 612 R CA 0.780 56.863 56.100 -0.029 0.000 1.011 612 R CB -0.043 30.236 30.300 -0.035 0.000 1.048 612 R HN 0.955 nan 8.270 nan 0.000 0.490 613 S N 3.110 118.792 115.700 -0.030 0.000 2.392 613 S HA -0.309 4.190 4.470 0.047 0.000 0.232 613 S C 1.934 176.517 174.600 -0.029 0.000 1.041 613 S CA 1.232 59.415 58.200 -0.028 0.000 1.026 613 S CB -0.385 62.800 63.200 -0.025 0.000 0.845 613 S HN 0.649 nan 8.310 nan 0.000 0.465 614 A N 1.838 124.637 122.820 -0.034 0.000 1.972 614 A HA -0.079 4.269 4.320 0.047 0.000 0.219 614 A C 1.984 179.538 177.584 -0.050 0.000 1.169 614 A CA 1.561 53.575 52.037 -0.037 0.000 0.635 614 A CB -0.693 18.283 19.000 -0.040 0.000 0.810 614 A HN 0.544 nan 8.150 nan 0.000 0.446 615 D N -0.241 120.120 120.400 -0.064 0.000 2.103 615 D HA -0.085 4.583 4.640 0.047 0.000 0.199 615 D C 1.948 178.217 176.300 -0.052 0.000 0.978 615 D CA 0.653 54.597 54.000 -0.093 0.000 0.829 615 D CB -0.341 40.387 40.800 -0.120 0.000 0.981 615 D HN 0.353 nan 8.370 nan 0.000 0.464 616 L N 0.422 121.627 121.223 -0.031 0.000 2.046 616 L HA -0.176 4.192 4.340 0.047 0.000 0.208 616 L C 2.348 179.216 176.870 -0.003 0.000 1.077 616 L CA 0.795 55.630 54.840 -0.009 0.000 0.747 616 L CB -0.153 41.900 42.059 -0.010 0.000 0.896 616 L HN 0.069 nan 8.230 nan 0.000 0.432 617 L N -0.124 121.093 121.223 -0.010 0.000 2.046 617 L HA -0.163 4.205 4.340 0.047 0.000 0.208 617 L C 2.668 179.539 176.870 0.001 0.000 1.077 617 L CA 1.971 56.808 54.840 -0.005 0.000 0.747 617 L CB -0.633 41.420 42.059 -0.010 0.000 0.896 617 L HN 0.223 nan 8.230 nan 0.000 0.432 618 A N -0.521 122.296 122.820 -0.005 0.000 1.902 618 A HA -0.189 4.159 4.320 0.047 0.000 0.217 618 A C 2.254 179.857 177.584 0.032 0.000 1.181 618 A CA 1.988 54.028 52.037 0.006 0.000 0.623 618 A CB -0.814 18.178 19.000 -0.014 0.000 0.818 618 A HN 0.452 nan 8.150 nan 0.000 0.443 619 I N -0.217 120.376 120.570 0.039 0.000 2.099 619 I HA -0.289 3.909 4.170 0.047 0.000 0.239 619 I C 2.415 178.563 176.117 0.053 0.000 1.066 619 I CA 1.431 62.775 61.300 0.074 0.000 1.324 619 I CB -0.405 37.644 38.000 0.082 0.000 1.037 619 I HN 0.295 nan 8.210 nan 0.000 0.401 620 L N 0.447 121.692 121.223 0.036 0.000 2.083 620 L HA -0.221 4.147 4.340 0.047 0.000 0.209 620 L C 2.631 179.515 176.870 0.023 0.000 1.083 620 L CA 1.345 56.203 54.840 0.030 0.000 0.752 620 L CB -0.704 41.370 42.059 0.025 0.000 0.899 620 L HN 0.262 nan 8.230 nan 0.000 0.433 621 K N 0.788 121.200 120.400 0.020 0.000 2.032 621 K HA -0.222 4.127 4.320 0.047 0.000 0.209 621 K C 2.176 178.786 176.600 0.016 0.000 1.048 621 K CA 1.622 57.919 56.287 0.016 0.000 0.927 621 K CB -0.134 32.374 32.500 0.013 0.000 0.712 621 K HN 0.248 nan 8.250 nan 0.000 0.441 622 A N 1.397 124.232 122.820 0.025 0.000 1.877 622 A HA -0.113 4.235 4.320 0.047 0.000 0.216 622 A C 2.180 179.771 177.584 0.011 0.000 1.186 622 A CA 1.398 53.450 52.037 0.024 0.000 0.620 622 A CB -0.640 18.386 19.000 0.044 0.000 0.822 622 A HN 0.343 nan 8.150 nan 0.000 0.443 623 L N -0.548 120.683 121.223 0.014 0.000 2.017 623 L HA -0.208 4.160 4.340 0.047 0.000 0.208 623 L C 2.670 179.526 176.870 -0.023 0.000 1.073 623 L CA 1.986 56.823 54.840 -0.005 0.000 0.745 623 L CB -0.534 41.531 42.059 0.010 0.000 0.894 623 L HN 0.496 nan 8.230 nan 0.000 0.432 624 K N 0.707 121.103 120.400 -0.007 0.000 2.103 624 K HA -0.198 4.150 4.320 0.047 0.000 0.207 624 K C 2.072 178.661 176.600 -0.019 0.000 1.048 624 K CA 1.394 57.675 56.287 -0.010 0.000 0.930 624 K CB -0.062 32.443 32.500 0.008 0.000 0.716 624 K HN 0.272 nan 8.250 nan 0.000 0.444 625 A N 1.205 124.018 122.820 -0.013 0.000 2.019 625 A HA -0.099 4.249 4.320 0.047 0.000 0.219 625 A C 1.606 179.176 177.584 -0.024 0.000 1.164 625 A CA 1.262 53.291 52.037 -0.013 0.000 0.644 625 A CB -0.099 18.898 19.000 -0.004 0.000 0.805 625 A HN 0.200 nan 8.150 nan 0.000 0.449 626 K N -1.499 118.880 120.400 -0.035 0.000 2.374 626 K HA 0.196 4.545 4.320 0.047 0.000 0.196 626 K C 0.971 177.524 176.600 -0.079 0.000 1.023 626 K CA 0.665 56.925 56.287 -0.046 0.000 1.103 626 K CB 0.206 32.681 32.500 -0.040 0.000 0.848 626 K HN 0.706 nan 8.250 nan 0.000 0.528 627 G N 1.763 110.502 108.800 -0.101 0.000 2.147 627 G HA2 -0.230 3.758 3.960 0.047 0.000 0.244 627 G HA3 -0.230 3.758 3.960 0.047 0.000 0.244 627 G C 0.093 174.793 174.900 -0.334 0.000 1.005 627 G CA 0.170 45.167 45.100 -0.172 0.000 0.713 627 G HN 0.115 nan 8.290 nan 0.000 0.515 628 V N 0.813 120.577 119.914 -0.249 0.000 2.546 628 V HA 0.488 4.636 4.120 0.047 0.000 0.284 628 V C 0.843 176.770 176.094 -0.278 0.000 1.050 628 V CA -0.599 61.542 62.300 -0.265 0.000 0.981 628 V CB 1.038 32.798 31.823 -0.105 0.000 0.990 628 V HN 0.464 nan 8.190 nan 0.000 0.474 629 H N 1.784 120.864 119.070 0.017 0.000 2.499 629 H HA 0.800 5.385 4.556 0.047 0.000 0.352 629 H C 0.171 175.518 175.328 0.031 0.000 1.237 629 H CA 0.015 56.075 56.048 0.021 0.000 1.343 629 H CB 1.285 31.060 29.762 0.022 0.000 1.578 629 H HN 0.845 nan 8.280 nan 0.000 0.577 630 A N 0.814 123.743 122.820 0.182 0.000 2.515 630 A HA 0.586 4.934 4.320 0.047 0.000 0.296 630 A C -1.281 176.359 177.584 0.092 0.000 1.094 630 A CA -1.000 51.103 52.037 0.111 0.000 0.718 630 A CB 1.430 20.476 19.000 0.077 0.000 1.307 630 A HN 0.789 nan 8.150 nan 0.000 0.408 631 K N 1.799 122.246 120.400 0.078 0.000 2.541 631 K HA 0.627 4.975 4.320 0.047 0.000 0.250 631 K C -1.786 174.840 176.600 0.044 0.000 0.950 631 K CA -0.501 55.823 56.287 0.062 0.000 0.805 631 K CB 1.287 33.833 32.500 0.076 0.000 1.166 631 K HN 0.511 nan 8.250 nan 0.000 0.430 632 L N 4.336 125.576 121.223 0.028 0.000 2.283 632 L HA 0.295 4.663 4.340 0.047 0.000 0.287 632 L C -0.634 176.238 176.870 0.003 0.000 1.073 632 L CA -0.997 53.852 54.840 0.015 0.000 0.822 632 L CB 0.293 42.354 42.059 0.002 0.000 1.186 632 L HN 0.483 nan 8.230 nan 0.000 0.436 633 L N 4.350 125.575 121.223 0.003 0.000 2.334 633 L HA 0.605 4.973 4.340 0.047 0.000 0.272 633 L C -0.430 176.354 176.870 -0.142 0.000 1.020 633 L CA -0.328 54.468 54.840 -0.074 0.000 0.812 633 L CB 1.484 43.525 42.059 -0.030 0.000 1.264 633 L HN 0.357 nan 8.230 nan 0.000 0.439 634 Y N -0.915 118.968 120.300 -0.695 0.000 2.900 634 Y HA 0.268 4.846 4.550 0.047 0.000 0.318 634 Y C 0.825 176.060 175.900 -1.108 0.000 1.457 634 Y CA -0.450 57.162 58.100 -0.814 0.000 1.082 634 Y CB 1.212 39.497 38.460 -0.291 0.000 1.419 634 Y HN 0.535 nan 8.280 nan 0.000 0.459 635 S N 0.590 115.463 115.700 -1.379 0.000 2.558 635 S HA 0.243 4.741 4.470 0.047 0.000 0.217 635 S C 0.073 174.431 174.600 -0.403 0.000 0.975 635 S CA 0.431 58.179 58.200 -0.754 0.000 0.912 635 S CB -0.186 62.710 63.200 -0.506 0.000 0.776 635 S HN 0.607 nan 8.310 nan 0.000 0.526 636 R N -1.315 119.017 120.500 -0.281 0.000 2.766 636 R HA 0.643 5.011 4.340 0.047 0.000 0.270 636 R C -0.704 175.588 176.300 -0.014 0.000 1.035 636 R CA -1.068 54.978 56.100 -0.091 0.000 0.911 636 R CB 0.435 30.722 30.300 -0.021 0.000 1.243 636 R HN -0.107 nan 8.270 nan 0.000 0.460 637 M N 0.002 119.599 119.600 -0.006 0.000 2.116 637 M HA 0.520 5.028 4.480 0.047 0.000 0.235 637 M C 1.033 177.348 176.300 0.025 0.000 1.193 637 M CA 0.925 56.228 55.300 0.004 0.000 0.959 637 M CB 0.326 32.922 32.600 -0.006 0.000 1.313 637 M HN 1.042 nan 8.290 nan 0.000 0.530 638 G N 0.579 109.385 108.800 0.011 0.000 2.578 638 G HA2 -0.123 3.865 3.960 0.047 0.000 0.232 638 G HA3 -0.123 3.865 3.960 0.047 0.000 0.232 638 G C -0.759 174.137 174.900 -0.008 0.000 1.176 638 G CA 0.127 45.231 45.100 0.006 0.000 0.968 638 G HN 0.980 nan 8.290 nan 0.000 0.583 639 E N -1.490 118.697 120.200 -0.021 0.000 2.433 639 E HA 0.675 5.053 4.350 0.047 0.000 0.278 639 E C -0.663 175.874 176.600 -0.104 0.000 0.976 639 E CA -0.612 55.754 56.400 -0.057 0.000 0.793 639 E CB 2.319 31.994 29.700 -0.043 0.000 1.311 639 E HN 1.749 nan 8.360 nan 0.000 0.460 640 V N -2.015 117.802 119.914 -0.161 0.000 3.040 640 V HA 0.711 4.859 4.120 0.047 0.000 0.312 640 V C -0.519 175.492 176.094 -0.138 0.000 1.115 640 V CA -0.718 61.453 62.300 -0.214 0.000 0.998 640 V CB 1.688 33.256 31.823 -0.425 0.000 1.042 640 V HN 0.754 nan 8.190 nan 0.000 0.433 641 T N 2.706 117.193 114.554 -0.112 0.000 2.771 641 T HA 0.774 5.152 4.350 0.047 0.000 0.281 641 T C 0.423 175.081 174.700 -0.070 0.000 0.982 641 T CA 0.339 62.394 62.100 -0.074 0.000 0.978 641 T CB 1.389 70.227 68.868 -0.050 0.000 0.930 641 T HN 1.353 nan 8.240 nan 0.000 0.447 642 A N 2.410 125.195 122.820 -0.058 0.000 2.292 642 A HA 0.325 4.673 4.320 0.047 0.000 0.265 642 A C 1.559 179.122 177.584 -0.036 0.000 1.133 642 A CA -0.181 51.827 52.037 -0.048 0.000 0.807 642 A CB -0.009 18.967 19.000 -0.040 0.000 1.102 642 A HN 0.896 nan 8.150 nan 0.000 0.502 643 D N -0.383 119.999 120.400 -0.030 0.000 2.144 643 D HA -0.165 4.503 4.640 0.047 0.000 0.199 643 D C 0.596 176.883 176.300 -0.021 0.000 0.984 643 D CA 1.486 55.472 54.000 -0.024 0.000 0.834 643 D CB -0.408 40.379 40.800 -0.022 0.000 0.955 643 D HN 0.573 nan 8.370 nan 0.000 0.465 644 D N -1.110 119.277 120.400 -0.022 0.000 2.336 644 D HA 0.209 4.878 4.640 0.047 0.000 0.228 644 D C 1.557 177.845 176.300 -0.019 0.000 1.120 644 D CA 0.255 54.244 54.000 -0.019 0.000 0.839 644 D CB -0.229 40.560 40.800 -0.018 0.000 0.932 644 D HN 0.376 nan 8.370 nan 0.000 0.509 645 G N -0.075 108.712 108.800 -0.021 0.000 2.179 645 G HA2 -0.283 3.705 3.960 0.047 0.000 0.260 645 G HA3 -0.283 3.705 3.960 0.047 0.000 0.260 645 G C 0.419 175.305 174.900 -0.024 0.000 0.977 645 G CA 0.352 45.439 45.100 -0.022 0.000 0.641 645 G HN 0.453 nan 8.290 nan 0.000 0.533 646 T N 0.924 115.463 114.554 -0.025 0.000 2.888 646 T HA 0.403 4.781 4.350 0.047 0.000 0.301 646 T C 0.656 175.337 174.700 -0.033 0.000 1.001 646 T CA 0.044 62.129 62.100 -0.025 0.000 1.147 646 T CB 2.151 71.004 68.868 -0.024 0.000 0.931 646 T HN 0.388 nan 8.240 nan 0.000 0.541 647 V N 5.186 125.082 119.914 -0.030 0.000 2.406 647 V HA 0.236 4.384 4.120 0.047 0.000 0.272 647 V C -0.262 175.809 176.094 -0.038 0.000 1.043 647 V CA -0.676 61.602 62.300 -0.036 0.000 0.915 647 V CB 0.986 32.792 31.823 -0.028 0.000 0.988 647 V HN 0.547 nan 8.190 nan 0.000 0.466 648 L N 9.154 130.345 121.223 -0.054 0.000 2.276 648 L HA 0.497 4.865 4.340 0.047 0.000 0.286 648 L C -2.160 174.675 176.870 -0.058 0.000 1.024 648 L CA -2.429 52.377 54.840 -0.056 0.000 0.826 648 L CB 1.494 43.508 42.059 -0.077 0.000 1.211 648 L HN 0.422 nan 8.230 nan 0.000 0.422 649 P HA 0.204 nan 4.420 nan 0.000 0.276 649 P C -0.222 177.062 177.300 -0.027 0.000 1.243 649 P CA -0.125 62.958 63.100 -0.028 0.000 0.768 649 P CB 0.746 32.437 31.700 -0.015 0.000 0.856 650 I N 2.691 123.246 120.570 -0.026 0.000 2.416 650 I HA 0.150 4.348 4.170 0.047 0.000 0.288 650 I C 1.633 177.744 176.117 -0.010 0.000 1.051 650 I CA -0.274 61.015 61.300 -0.018 0.000 1.375 650 I CB 1.224 39.221 38.000 -0.004 0.000 1.407 650 I HN 0.365 nan 8.210 nan 0.000 0.516 651 A N 5.341 128.157 122.820 -0.006 0.000 1.903 651 A HA 0.556 4.904 4.320 0.047 0.000 0.213 651 A C 1.004 178.588 177.584 0.000 0.000 1.185 651 A CA 1.255 53.293 52.037 0.003 0.000 0.628 651 A CB 0.026 19.035 19.000 0.015 0.000 0.830 651 A HN 0.805 nan 8.150 nan 0.000 0.446 652 A N -2.034 120.779 122.820 -0.013 0.000 2.557 652 A HA 0.601 4.949 4.320 0.047 0.000 0.292 652 A C -0.051 177.483 177.584 -0.084 0.000 1.139 652 A CA 0.141 52.166 52.037 -0.020 0.000 0.665 652 A CB -0.167 18.845 19.000 0.021 0.000 1.285 652 A HN 0.730 nan 8.150 nan 0.000 0.433 653 T N -1.850 112.650 114.554 -0.090 0.000 2.881 653 T HA 0.571 4.950 4.350 0.047 0.000 0.278 653 T C 0.854 175.498 174.700 -0.092 0.000 0.982 653 T CA -0.086 61.888 62.100 -0.210 0.000 0.989 653 T CB 0.194 68.978 68.868 -0.140 0.000 1.058 653 T HN 0.443 nan 8.240 nan 0.000 0.529 654 F N 0.522 120.499 119.950 0.045 0.000 2.126 654 F HA -0.019 4.536 4.527 0.047 0.000 0.299 654 F C 2.934 178.862 175.800 0.213 0.000 1.096 654 F CA 1.048 59.135 58.000 0.146 0.000 1.255 654 F CB -0.629 38.432 39.000 0.101 0.000 0.997 654 F HN 0.701 nan 8.300 nan 0.000 0.479 655 A N 0.203 123.183 122.820 0.267 0.000 2.016 655 A HA 0.080 4.428 4.320 0.047 0.000 0.217 655 A C 2.405 180.054 177.584 0.109 0.000 1.162 655 A CA 1.293 53.427 52.037 0.162 0.000 0.662 655 A CB -1.336 17.720 19.000 0.092 0.000 0.812 655 A HN 0.388 nan 8.150 nan 0.000 0.450 656 G N -0.986 107.867 108.800 0.088 0.000 2.448 656 G HA2 0.300 4.289 3.960 0.047 0.000 0.218 656 G HA3 0.300 4.289 3.960 0.047 0.000 0.218 656 G C 0.603 175.553 174.900 0.083 0.000 1.135 656 G CA 0.954 46.090 45.100 0.059 0.000 0.784 656 G HN 1.086 nan 8.290 nan 0.000 0.543 657 A N 0.617 123.523 122.820 0.144 0.000 3.082 657 A HA 0.689 5.037 4.320 0.047 0.000 0.328 657 A C -2.762 174.978 177.584 0.260 0.000 1.089 657 A CA -1.076 51.061 52.037 0.167 0.000 0.802 657 A CB 1.262 20.357 19.000 0.158 0.000 1.138 657 A HN 0.068 nan 8.150 nan 0.000 0.474 658 P HA 0.035 nan 4.420 nan 0.000 0.269 658 P C 1.426 178.584 177.300 -0.238 0.000 1.217 658 P CA 0.496 63.548 63.100 -0.080 0.000 0.783 658 P CB 0.775 32.418 31.700 -0.096 0.000 0.898 659 S N 1.019 116.231 115.700 -0.813 0.000 2.402 659 S HA -0.193 4.305 4.470 0.047 0.000 0.233 659 S C 1.796 176.270 174.600 -0.209 0.000 1.030 659 S CA 1.309 59.163 58.200 -0.576 0.000 1.003 659 S CB -1.181 61.597 63.200 -0.703 0.000 0.813 659 S HN 0.188 nan 8.310 nan 0.000 0.477 660 L N 2.617 123.721 121.223 -0.198 0.000 2.089 660 L HA -0.091 4.278 4.340 0.047 0.000 0.213 660 L C 2.903 179.626 176.870 -0.244 0.000 1.079 660 L CA 2.273 56.993 54.840 -0.200 0.000 0.758 660 L CB -1.849 40.072 42.059 -0.229 0.000 0.891 660 L HN 0.795 nan 8.230 nan 0.000 0.433 661 T N -3.817 110.661 114.554 -0.127 0.000 3.129 661 T HA 0.229 4.607 4.350 0.047 0.000 0.251 661 T C 0.398 175.202 174.700 0.172 0.000 1.117 661 T CA 0.383 62.501 62.100 0.030 0.000 1.034 661 T CB -0.580 68.384 68.868 0.160 0.000 0.968 661 T HN 0.075 nan 8.240 nan 0.000 0.526 662 V N -2.898 117.080 119.914 0.107 0.000 3.126 662 V HA 0.577 4.725 4.120 0.047 0.000 0.314 662 V C -0.069 176.079 176.094 0.090 0.000 1.138 662 V CA -0.984 61.399 62.300 0.138 0.000 1.034 662 V CB 2.069 33.986 31.823 0.156 0.000 1.075 662 V HN -0.012 nan 8.190 nan 0.000 0.442 663 D N 0.804 121.256 120.400 0.088 0.000 2.327 663 D HA 0.486 5.155 4.640 0.047 0.000 0.205 663 D C 0.565 176.859 176.300 -0.011 0.000 0.989 663 D CA 1.539 55.566 54.000 0.045 0.000 0.873 663 D CB 1.466 42.311 40.800 0.076 0.000 0.955 663 D HN 0.977 nan 8.370 nan 0.000 0.515 664 A N 0.027 122.856 122.820 0.014 0.000 2.586 664 A HA 0.547 4.895 4.320 0.047 0.000 0.290 664 A C -1.593 176.009 177.584 0.031 0.000 1.086 664 A CA -0.549 51.480 52.037 -0.012 0.000 0.665 664 A CB 1.495 20.472 19.000 -0.038 0.000 1.279 664 A HN -0.108 nan 8.150 nan 0.000 0.423 665 V N 0.850 120.773 119.914 0.015 0.000 2.709 665 V HA 0.614 4.762 4.120 0.047 0.000 0.308 665 V C -0.788 175.308 176.094 0.003 0.000 1.062 665 V CA -0.221 62.099 62.300 0.035 0.000 0.901 665 V CB 1.603 33.467 31.823 0.068 0.000 1.003 665 V HN 0.703 nan 8.190 nan 0.000 0.425 666 I N 4.003 124.582 120.570 0.015 0.000 2.498 666 I HA 0.554 4.753 4.170 0.047 0.000 0.290 666 I C -0.967 175.178 176.117 0.046 0.000 1.032 666 I CA -0.947 60.390 61.300 0.061 0.000 1.073 666 I CB 2.362 40.430 38.000 0.113 0.000 1.251 666 I HN 0.275 nan 8.210 nan 0.000 0.426 667 V N 7.357 127.316 119.914 0.075 0.000 2.350 667 V HA 0.367 4.515 4.120 0.047 0.000 0.285 667 V C -2.141 174.014 176.094 0.101 0.000 1.014 667 V CA -1.596 60.737 62.300 0.054 0.000 0.831 667 V CB 1.295 33.132 31.823 0.023 0.000 1.000 667 V HN 0.549 nan 8.190 nan 0.000 0.433 668 P HA 0.239 nan 4.420 nan 0.000 0.276 668 P C 0.167 177.487 177.300 0.033 0.000 1.252 668 P CA -0.307 62.810 63.100 0.028 0.000 0.802 668 P CB 1.165 32.872 31.700 0.011 0.000 1.035 669 C N 0.243 119.538 119.300 -0.008 0.000 2.641 669 C HA 0.735 5.223 4.460 0.047 0.000 0.318 669 C C 1.258 176.254 174.990 0.011 0.000 1.490 669 C CA 1.548 60.568 59.018 0.004 0.000 2.260 669 C CB -0.669 27.054 27.740 -0.028 0.000 2.103 669 C HN 0.934 nan 8.230 nan 0.000 0.641 670 G N 0.672 109.478 108.800 0.010 0.000 2.247 670 G HA2 -0.042 3.946 3.960 0.047 0.000 0.229 670 G HA3 -0.042 3.946 3.960 0.047 0.000 0.229 670 G C -0.646 174.265 174.900 0.019 0.000 1.345 670 G CA -0.010 45.096 45.100 0.009 0.000 1.100 670 G HN 0.998 nan 8.290 nan 0.000 0.473 671 N N 1.465 120.182 118.700 0.028 0.000 2.895 671 N HA 0.134 4.903 4.740 0.047 0.000 0.277 671 N C 1.390 176.934 175.510 0.057 0.000 1.185 671 N CA -0.602 52.468 53.050 0.034 0.000 1.106 671 N CB -0.157 38.352 38.487 0.037 0.000 1.422 671 N HN 0.369 nan 8.380 nan 0.000 0.521 672 I N 1.942 122.535 120.570 0.038 0.000 2.567 672 I HA -0.212 3.986 4.170 0.047 0.000 0.257 672 I C 2.371 178.491 176.117 0.005 0.000 1.184 672 I CA 0.692 62.015 61.300 0.039 0.000 1.451 672 I CB -1.375 36.615 38.000 -0.015 0.000 1.089 672 I HN 0.472 nan 8.210 nan 0.000 0.441 673 A N 0.653 123.469 122.820 -0.006 0.000 2.024 673 A HA -0.271 4.077 4.320 0.047 0.000 0.220 673 A C 2.077 179.683 177.584 0.036 0.000 1.164 673 A CA 2.012 54.043 52.037 -0.009 0.000 0.643 673 A CB -0.660 18.335 19.000 -0.008 0.000 0.806 673 A HN 0.443 nan 8.150 nan 0.000 0.451 674 D N 0.382 120.830 120.400 0.081 0.000 2.144 674 D HA -0.135 4.533 4.640 0.047 0.000 0.199 674 D C 1.462 177.849 176.300 0.145 0.000 0.984 674 D CA 1.707 55.782 54.000 0.124 0.000 0.834 674 D CB -0.214 40.696 40.800 0.184 0.000 0.955 674 D HN 0.632 nan 8.370 nan 0.000 0.465 675 I N -3.962 116.715 120.570 0.179 0.000 4.154 675 I HA 0.510 4.708 4.170 0.047 0.000 0.334 675 I C 1.801 178.062 176.117 0.241 0.000 1.371 675 I CA -0.159 61.271 61.300 0.216 0.000 1.110 675 I CB 0.253 38.425 38.000 0.285 0.000 1.085 675 I HN -0.085 nan 8.210 nan 0.000 0.398 676 A N 1.338 124.205 122.820 0.077 0.000 2.019 676 A HA -0.129 4.219 4.320 0.047 0.000 0.219 676 A C 1.532 179.104 177.584 -0.020 0.000 1.164 676 A CA 1.797 53.745 52.037 -0.150 0.000 0.644 676 A CB -0.405 18.413 19.000 -0.303 0.000 0.805 676 A HN 0.504 nan 8.150 nan 0.000 0.449 677 D N -0.627 119.788 120.400 0.025 0.000 2.462 677 D HA 0.033 4.701 4.640 0.047 0.000 0.221 677 D C -0.172 176.159 176.300 0.052 0.000 1.173 677 D CA -0.185 53.832 54.000 0.028 0.000 0.831 677 D CB -0.149 40.655 40.800 0.007 0.000 1.001 677 D HN 0.296 nan 8.370 nan 0.000 0.499 678 N N 1.163 119.911 118.700 0.080 0.000 2.405 678 N HA 0.031 4.799 4.740 0.047 0.000 0.260 678 N C 1.384 176.924 175.510 0.051 0.000 1.152 678 N CA 0.009 53.097 53.050 0.065 0.000 0.948 678 N CB 1.431 39.962 38.487 0.073 0.000 1.111 678 N HN 0.016 nan 8.380 nan 0.000 0.485 679 G N 3.261 112.090 108.800 0.049 0.000 2.440 679 G HA2 -0.265 3.723 3.960 0.047 0.000 0.218 679 G HA3 -0.265 3.723 3.960 0.047 0.000 0.218 679 G C 0.976 175.916 174.900 0.066 0.000 1.154 679 G CA 0.648 45.778 45.100 0.051 0.000 0.767 679 G HN 0.640 nan 8.290 nan 0.000 0.552 680 D N 1.043 121.485 120.400 0.070 0.000 2.144 680 D HA -0.022 4.647 4.640 0.047 0.000 0.200 680 D C 2.843 179.125 176.300 -0.030 0.000 0.978 680 D CA 1.089 55.158 54.000 0.116 0.000 0.833 680 D CB -0.333 40.602 40.800 0.224 0.000 0.961 680 D HN 0.333 nan 8.370 nan 0.000 0.470 681 A N 1.770 124.408 122.820 -0.304 0.000 1.877 681 A HA -0.207 4.141 4.320 0.047 0.000 0.216 681 A C 2.050 179.420 177.584 -0.357 0.000 1.186 681 A CA 1.315 52.931 52.037 -0.703 0.000 0.620 681 A CB -0.526 18.055 19.000 -0.699 0.000 0.822 681 A HN 0.137 nan 8.150 nan 0.000 0.443 682 N N -1.563 117.077 118.700 -0.100 0.000 2.084 682 N HA -0.188 4.580 4.740 0.047 0.000 0.190 682 N C 1.709 177.210 175.510 -0.016 0.000 1.030 682 N CA 1.801 54.847 53.050 -0.006 0.000 0.849 682 N CB -0.500 38.051 38.487 0.108 0.000 1.012 682 N HN 0.690 nan 8.380 nan 0.000 0.423 683 Y N 0.591 120.851 120.300 -0.066 0.000 2.224 683 Y HA -0.284 4.294 4.550 0.047 0.000 0.289 683 Y C 2.409 178.257 175.900 -0.087 0.000 1.146 683 Y CA 1.275 59.334 58.100 -0.068 0.000 1.182 683 Y CB -0.361 38.067 38.460 -0.054 0.000 0.983 683 Y HN 0.026 nan 8.280 nan 0.000 0.524 684 Y N -0.259 119.928 120.300 -0.188 0.000 2.114 684 Y HA -0.341 4.237 4.550 0.047 0.000 0.282 684 Y C 2.100 177.813 175.900 -0.312 0.000 1.165 684 Y CA 1.898 59.854 58.100 -0.240 0.000 1.148 684 Y CB -0.538 37.767 38.460 -0.258 0.000 0.972 684 Y HN 0.157 nan 8.280 nan 0.000 0.504 685 L N -0.614 120.545 121.223 -0.106 0.000 2.056 685 L HA -0.231 4.137 4.340 0.047 0.000 0.207 685 L C 2.340 179.096 176.870 -0.190 0.000 1.078 685 L CA 1.740 56.494 54.840 -0.144 0.000 0.749 685 L CB -1.094 40.841 42.059 -0.208 0.000 0.901 685 L HN 0.327 nan 8.230 nan 0.000 0.433 686 M N -1.268 118.164 119.600 -0.281 0.000 2.132 686 M HA -0.216 4.292 4.480 0.047 0.000 0.263 686 M C 2.187 178.226 176.300 -0.435 0.000 1.065 686 M CA 1.563 56.684 55.300 -0.298 0.000 1.122 686 M CB -0.388 32.040 32.600 -0.286 0.000 1.365 686 M HN 0.247 nan 8.290 nan 0.000 0.411 687 E N 0.633 120.380 120.200 -0.755 0.000 2.047 687 E HA -0.185 4.193 4.350 0.047 0.000 0.191 687 E C 2.017 178.246 176.600 -0.619 0.000 0.987 687 E CA 1.308 57.221 56.400 -0.812 0.000 0.799 687 E CB 0.009 29.189 29.700 -0.866 0.000 0.752 687 E HN 0.467 nan 8.360 nan 0.000 0.449 688 A N 0.273 122.857 122.820 -0.393 0.000 1.940 688 A HA -0.216 4.132 4.320 0.047 0.000 0.219 688 A C 2.037 179.523 177.584 -0.163 0.000 1.176 688 A CA 1.542 53.448 52.037 -0.218 0.000 0.631 688 A CB -0.895 18.039 19.000 -0.110 0.000 0.814 688 A HN 0.570 nan 8.150 nan 0.000 0.446 689 Y N 0.545 120.686 120.300 -0.264 0.000 2.163 689 Y HA -0.182 4.396 4.550 0.047 0.000 0.288 689 Y C 2.403 178.177 175.900 -0.209 0.000 1.136 689 Y CA 2.299 60.275 58.100 -0.207 0.000 1.147 689 Y CB -0.229 38.125 38.460 -0.176 0.000 0.987 689 Y HN 0.323 nan 8.280 nan 0.000 0.509 690 K N -0.507 119.779 120.400 -0.190 0.000 2.103 690 K HA -0.242 4.106 4.320 0.047 0.000 0.207 690 K C 1.068 177.546 176.600 -0.203 0.000 1.048 690 K CA 2.125 58.267 56.287 -0.241 0.000 0.930 690 K CB -0.521 31.799 32.500 -0.301 0.000 0.716 690 K HN 0.591 nan 8.250 nan 0.000 0.444 691 H N 0.470 119.418 119.070 -0.204 0.000 2.536 691 H HA 0.171 4.755 4.556 0.047 0.000 0.276 691 H C 0.029 175.192 175.328 -0.275 0.000 1.019 691 H CA 0.204 56.126 56.048 -0.210 0.000 1.159 691 H CB 0.055 29.693 29.762 -0.207 0.000 1.373 691 H HN 0.141 nan 8.280 nan 0.000 0.584 692 L N -0.066 121.007 121.223 -0.249 0.000 4.089 692 L HA -0.277 4.091 4.340 0.047 0.000 0.408 692 L C -0.322 176.287 176.870 -0.435 0.000 1.184 692 L CA 0.596 55.196 54.840 -0.400 0.000 0.947 692 L CB -1.660 40.135 42.059 -0.440 0.000 2.066 692 L HN 0.311 nan 8.230 nan 0.000 0.851 693 K N 0.999 121.213 120.400 -0.309 0.000 2.174 693 K HA 0.447 4.795 4.320 0.047 0.000 0.275 693 K C -2.100 174.368 176.600 -0.219 0.000 1.015 693 K CA -1.786 54.341 56.287 -0.266 0.000 0.933 693 K CB 0.695 33.095 32.500 -0.166 0.000 1.025 693 K HN -0.203 nan 8.250 nan 0.000 0.463 694 P HA 0.021 nan 4.420 nan 0.000 0.265 694 P C -0.731 176.503 177.300 -0.110 0.000 1.193 694 P CA 0.465 63.464 63.100 -0.167 0.000 0.765 694 P CB 0.408 32.008 31.700 -0.166 0.000 0.823 695 I N 1.720 122.237 120.570 -0.089 0.000 2.582 695 I HA 0.628 4.826 4.170 0.047 0.000 0.292 695 I C -0.400 175.665 176.117 -0.086 0.000 1.066 695 I CA -0.863 60.404 61.300 -0.055 0.000 1.053 695 I CB 2.264 40.262 38.000 -0.004 0.000 1.241 695 I HN 0.267 nan 8.210 nan 0.000 0.421 696 A N 7.451 130.223 122.820 -0.079 0.000 2.359 696 A HA 0.871 5.219 4.320 0.047 0.000 0.303 696 A C -1.227 176.439 177.584 0.137 0.000 1.066 696 A CA -0.423 51.537 52.037 -0.128 0.000 0.730 696 A CB 1.092 19.808 19.000 -0.473 0.000 1.211 696 A HN 0.648 nan 8.150 nan 0.000 0.439 697 L N 2.131 123.499 121.223 0.241 0.000 2.356 697 L HA 0.746 5.114 4.340 0.047 0.000 0.277 697 L C 0.283 177.362 176.870 0.348 0.000 0.996 697 L CA -0.577 54.428 54.840 0.274 0.000 0.822 697 L CB 2.011 44.178 42.059 0.180 0.000 1.256 697 L HN 0.794 nan 8.230 nan 0.000 0.413 698 A N 2.231 125.161 122.820 0.184 0.000 2.330 698 A HA 0.851 5.200 4.320 0.047 0.000 0.327 698 A C 0.623 178.200 177.584 -0.012 0.000 1.155 698 A CA 0.275 52.292 52.037 -0.034 0.000 0.803 698 A CB 1.219 20.026 19.000 -0.323 0.000 1.208 698 A HN 0.981 nan 8.150 nan 0.000 0.477 699 G N 1.822 110.604 108.800 -0.030 0.000 2.622 699 G HA2 -0.341 3.647 3.960 0.047 0.000 0.307 699 G HA3 -0.341 3.647 3.960 0.047 0.000 0.307 699 G C 0.508 175.409 174.900 0.002 0.000 1.226 699 G CA 0.864 45.951 45.100 -0.021 0.000 0.997 699 G HN 0.706 nan 8.290 nan 0.000 0.551 700 D N 1.433 121.829 120.400 -0.005 0.000 2.350 700 D HA 0.224 4.892 4.640 0.047 0.000 0.216 700 D C 2.569 178.863 176.300 -0.011 0.000 0.968 700 D CA 1.461 55.450 54.000 -0.019 0.000 0.894 700 D CB -0.622 40.160 40.800 -0.030 0.000 0.909 700 D HN 0.771 nan 8.370 nan 0.000 0.520 701 A N 0.623 123.481 122.820 0.064 0.000 2.125 701 A HA -0.166 4.182 4.320 0.047 0.000 0.219 701 A C 2.043 179.738 177.584 0.185 0.000 1.156 701 A CA 0.761 52.915 52.037 0.194 0.000 0.671 701 A CB -0.385 18.748 19.000 0.222 0.000 0.794 701 A HN 0.130 nan 8.150 nan 0.000 0.459 702 R N -0.247 120.306 120.500 0.088 0.000 2.293 702 R HA -0.068 4.300 4.340 0.047 0.000 0.219 702 R C 1.557 177.860 176.300 0.005 0.000 1.091 702 R CA 1.152 57.290 56.100 0.064 0.000 1.004 702 R CB -0.158 30.167 30.300 0.042 0.000 0.865 702 R HN 0.523 nan 8.270 nan 0.000 0.469 703 K N -0.336 120.017 120.400 -0.078 0.000 2.362 703 K HA -0.083 4.265 4.320 0.047 0.000 0.200 703 K C 1.141 177.607 176.600 -0.223 0.000 1.046 703 K CA 0.961 57.142 56.287 -0.177 0.000 0.952 703 K CB 0.017 32.359 32.500 -0.263 0.000 0.753 703 K HN 0.164 nan 8.250 nan 0.000 0.466 704 F N 1.519 121.445 119.950 -0.040 0.000 2.604 704 F HA -0.060 4.495 4.527 0.047 0.000 0.298 704 F C 1.787 177.539 175.800 -0.080 0.000 1.131 704 F CA 0.712 58.676 58.000 -0.060 0.000 1.457 704 F CB 0.007 38.972 39.000 -0.060 0.000 1.095 704 F HN -0.081 nan 8.300 nan 0.000 0.574 705 K N 0.348 120.790 120.400 0.069 0.000 2.152 705 K HA -0.193 4.155 4.320 0.047 0.000 0.206 705 K C 2.291 178.862 176.600 -0.049 0.000 1.048 705 K CA 1.176 57.458 56.287 -0.008 0.000 0.933 705 K CB -0.365 32.127 32.500 -0.013 0.000 0.721 705 K HN 0.262 nan 8.250 nan 0.000 0.447 706 A N 0.581 123.379 122.820 -0.038 0.000 1.969 706 A HA -0.162 4.186 4.320 0.047 0.000 0.218 706 A C 2.237 179.791 177.584 -0.049 0.000 1.169 706 A CA 2.007 54.014 52.037 -0.049 0.000 0.635 706 A CB -0.814 18.156 19.000 -0.050 0.000 0.810 706 A HN 0.318 nan 8.150 nan 0.000 0.445 707 T N 0.244 114.787 114.554 -0.018 0.000 2.867 707 T HA -0.053 4.326 4.350 0.047 0.000 0.268 707 T C 1.335 175.971 174.700 -0.107 0.000 1.057 707 T CA 1.435 63.523 62.100 -0.020 0.000 1.136 707 T CB -0.551 68.350 68.868 0.056 0.000 0.874 707 T HN 0.620 nan 8.240 nan 0.000 0.466 708 I N -2.458 117.989 120.570 -0.203 0.000 3.891 708 I HA 0.469 4.667 4.170 0.047 0.000 0.331 708 I C -0.190 175.682 176.117 -0.409 0.000 1.406 708 I CA -0.613 60.427 61.300 -0.434 0.000 1.139 708 I CB -0.045 37.455 38.000 -0.834 0.000 1.056 708 I HN -0.096 nan 8.210 nan 0.000 0.399 709 K N 1.700 121.977 120.400 -0.205 0.000 3.150 709 K HA -0.098 4.250 4.320 0.047 0.000 0.267 709 K C -0.581 175.946 176.600 -0.122 0.000 1.028 709 K CA 0.582 56.792 56.287 -0.129 0.000 0.753 709 K CB -1.725 30.720 32.500 -0.092 0.000 1.288 709 K HN 0.439 nan 8.250 nan 0.000 0.473 710 I N 0.353 120.849 120.570 -0.122 0.000 2.385 710 I HA 0.397 4.595 4.170 0.047 0.000 0.294 710 I C 1.273 177.369 176.117 -0.036 0.000 0.988 710 I CA -1.267 59.989 61.300 -0.073 0.000 1.265 710 I CB 0.988 38.945 38.000 -0.072 0.000 1.388 710 I HN 0.305 nan 8.210 nan 0.000 0.480 711 A N 4.558 127.369 122.820 -0.015 0.000 2.425 711 A HA 0.144 4.492 4.320 0.047 0.000 0.242 711 A C 1.007 178.588 177.584 -0.005 0.000 1.077 711 A CA -0.234 51.798 52.037 -0.008 0.000 0.781 711 A CB 0.091 19.091 19.000 0.001 0.000 1.020 711 A HN 0.760 nan 8.150 nan 0.000 0.494 712 D N 0.357 120.754 120.400 -0.005 0.000 2.158 712 D HA -0.231 4.437 4.640 0.047 0.000 0.197 712 D C 2.125 178.427 176.300 0.003 0.000 0.995 712 D CA 2.167 56.165 54.000 -0.002 0.000 0.846 712 D CB -0.188 40.610 40.800 -0.003 0.000 0.941 712 D HN 0.835 nan 8.370 nan 0.000 0.456 713 Q N 0.152 119.954 119.800 0.004 0.000 2.364 713 Q HA 0.077 4.445 4.340 0.047 0.000 0.209 713 Q C 1.012 177.017 176.000 0.009 0.000 0.977 713 Q CA 1.044 56.851 55.803 0.007 0.000 0.885 713 Q CB -0.063 28.679 28.738 0.007 0.000 0.941 713 Q HN 0.159 nan 8.270 nan 0.000 0.464 714 G N 1.213 110.018 108.800 0.009 0.000 2.655 714 G HA2 -0.150 3.838 3.960 0.047 0.000 0.680 714 G HA3 -0.150 3.838 3.960 0.047 0.000 0.680 714 G C -1.329 173.579 174.900 0.014 0.000 1.302 714 G CA -0.319 44.788 45.100 0.012 0.000 0.872 714 G HN 0.630 nan 8.290 nan 0.000 0.540 715 E N -0.825 119.384 120.200 0.016 0.000 2.363 715 E HA 0.527 4.905 4.350 0.047 0.000 0.281 715 E C -0.716 175.886 176.600 0.003 0.000 0.953 715 E CA -1.013 55.398 56.400 0.019 0.000 0.778 715 E CB 1.433 31.159 29.700 0.043 0.000 1.220 715 E HN 0.424 nan 8.360 nan 0.000 0.431 716 E N 1.340 121.534 120.200 -0.010 0.000 2.558 716 E HA 0.191 4.570 4.350 0.047 0.000 0.255 716 E C 0.891 177.457 176.600 -0.056 0.000 0.968 716 E CA 1.788 58.167 56.400 -0.035 0.000 0.939 716 E CB 1.017 30.695 29.700 -0.037 0.000 0.921 716 E HN 0.955 nan 8.360 nan 0.000 0.477 717 G N 2.925 111.678 108.800 -0.078 0.000 2.218 717 G HA2 -0.198 3.790 3.960 0.047 0.000 0.216 717 G HA3 -0.198 3.790 3.960 0.047 0.000 0.216 717 G C 0.127 174.982 174.900 -0.075 0.000 0.994 717 G CA -0.369 44.664 45.100 -0.110 0.000 0.637 717 G HN 0.410 nan 8.290 nan 0.000 0.505 718 I N 2.252 122.800 120.570 -0.036 0.000 2.382 718 I HA 0.475 4.673 4.170 0.047 0.000 0.285 718 I C 0.409 176.493 176.117 -0.056 0.000 1.007 718 I CA -1.133 60.155 61.300 -0.020 0.000 1.142 718 I CB 1.253 39.270 38.000 0.028 0.000 1.289 718 I HN -0.097 nan 8.210 nan 0.000 0.453 719 V N 7.567 127.409 119.914 -0.120 0.000 2.498 719 V HA 0.385 4.534 4.120 0.047 0.000 0.279 719 V C 0.288 176.337 176.094 -0.075 0.000 1.048 719 V CA -0.381 61.806 62.300 -0.188 0.000 0.967 719 V CB 1.267 32.819 31.823 -0.452 0.000 0.988 719 V HN 0.862 nan 8.190 nan 0.000 0.473 720 E N 4.310 124.541 120.200 0.052 0.000 2.390 720 E HA 0.904 5.282 4.350 0.047 0.000 0.277 720 E C -0.979 175.769 176.600 0.246 0.000 0.939 720 E CA -0.994 55.523 56.400 0.195 0.000 0.769 720 E CB 2.650 32.415 29.700 0.108 0.000 1.251 720 E HN 0.857 nan 8.360 nan 0.000 0.450 721 A N 1.375 124.337 122.820 0.238 0.000 2.490 721 A HA 0.278 4.626 4.320 0.047 0.000 0.292 721 A C -0.705 176.900 177.584 0.034 0.000 1.047 721 A CA -0.496 51.624 52.037 0.139 0.000 0.632 721 A CB 0.765 19.886 19.000 0.201 0.000 1.323 721 A HN 0.615 nan 8.150 nan 0.000 0.448 722 D N 0.480 120.878 120.400 -0.004 0.000 2.178 722 D HA 0.056 4.724 4.640 0.047 0.000 0.202 722 D C 1.075 177.319 176.300 -0.093 0.000 0.974 722 D CA 2.212 56.191 54.000 -0.036 0.000 0.841 722 D CB 0.061 40.845 40.800 -0.027 0.000 0.953 722 D HN 0.823 nan 8.370 nan 0.000 0.478 723 S N -1.418 114.192 115.700 -0.151 0.000 2.627 723 S HA 0.643 5.141 4.470 0.047 0.000 0.283 723 S C -0.122 174.181 174.600 -0.494 0.000 1.127 723 S CA -0.690 57.367 58.200 -0.240 0.000 0.863 723 S CB 2.213 65.324 63.200 -0.149 0.000 1.121 723 S HN -0.021 nan 8.310 nan 0.000 0.479 724 A N 0.967 123.435 122.820 -0.586 0.000 2.604 724 A HA 0.491 4.840 4.320 0.047 0.000 0.248 724 A C 0.214 177.552 177.584 -0.411 0.000 1.466 724 A CA 0.186 51.659 52.037 -0.940 0.000 1.222 724 A CB -1.314 17.333 19.000 -0.589 0.000 0.945 724 A HN 0.798 nan 8.150 nan 0.000 0.600 725 D N -2.691 117.577 120.400 -0.220 0.000 4.243 725 D HA 0.462 5.130 4.640 0.047 0.000 0.333 725 D C 0.971 177.303 176.300 0.053 0.000 1.611 725 D CA 1.036 55.042 54.000 0.010 0.000 0.979 725 D CB -0.189 40.624 40.800 0.022 0.000 1.457 725 D HN 0.793 nan 8.370 nan 0.000 0.646 726 G N 0.369 109.194 108.800 0.041 0.000 2.559 726 G HA2 -0.262 3.726 3.960 0.047 0.000 0.282 726 G HA3 -0.262 3.726 3.960 0.047 0.000 0.282 726 G C 0.750 175.693 174.900 0.073 0.000 1.177 726 G CA 1.710 46.836 45.100 0.044 0.000 0.960 726 G HN 1.191 nan 8.290 nan 0.000 0.540 727 S N 0.051 115.805 115.700 0.090 0.000 2.540 727 S HA 0.425 4.923 4.470 0.047 0.000 0.218 727 S C 1.782 176.459 174.600 0.129 0.000 0.977 727 S CA 0.987 59.239 58.200 0.087 0.000 0.918 727 S CB 0.159 63.392 63.200 0.055 0.000 0.806 727 S HN 1.229 nan 8.310 nan 0.000 0.496 728 F N 2.821 122.769 119.950 -0.002 0.000 2.095 728 F HA -0.049 4.506 4.527 0.047 0.000 0.298 728 F C 2.085 177.882 175.800 -0.005 0.000 1.104 728 F CA 1.622 59.620 58.000 -0.003 0.000 1.232 728 F CB -0.272 38.727 39.000 -0.001 0.000 0.987 728 F HN 0.156 nan 8.300 nan 0.000 0.475 729 M N 0.142 119.905 119.600 0.272 0.000 2.254 729 M HA -0.146 4.362 4.480 0.047 0.000 0.265 729 M C 1.767 178.077 176.300 0.016 0.000 1.066 729 M CA 1.250 56.626 55.300 0.126 0.000 1.123 729 M CB -1.296 31.399 32.600 0.158 0.000 1.388 729 M HN 0.141 nan 8.290 nan 0.000 0.425 730 D N 0.386 120.801 120.400 0.025 0.000 2.117 730 D HA -0.132 4.536 4.640 0.047 0.000 0.198 730 D C 1.952 178.232 176.300 -0.034 0.000 0.982 730 D CA 1.045 55.044 54.000 -0.001 0.000 0.828 730 D CB -0.099 40.708 40.800 0.010 0.000 0.967 730 D HN 0.463 nan 8.370 nan 0.000 0.464 731 E N 0.427 120.594 120.200 -0.055 0.000 2.058 731 E HA -0.145 4.233 4.350 0.047 0.000 0.194 731 E C 2.127 178.647 176.600 -0.132 0.000 0.997 731 E CA 0.323 56.669 56.400 -0.091 0.000 0.801 731 E CB -0.072 29.558 29.700 -0.116 0.000 0.746 731 E HN 0.155 nan 8.360 nan 0.000 0.450 732 L N 0.982 122.090 121.223 -0.192 0.000 2.046 732 L HA -0.161 4.207 4.340 0.047 0.000 0.208 732 L C 2.090 178.891 176.870 -0.115 0.000 1.077 732 L CA 1.295 56.017 54.840 -0.197 0.000 0.747 732 L CB -0.378 41.516 42.059 -0.275 0.000 0.896 732 L HN 0.222 nan 8.230 nan 0.000 0.432 733 L N -0.149 121.027 121.223 -0.077 0.000 2.141 733 L HA -0.134 4.235 4.340 0.047 0.000 0.209 733 L C 2.588 179.433 176.870 -0.042 0.000 1.094 733 L CA 1.534 56.346 54.840 -0.047 0.000 0.763 733 L CB -1.685 40.357 42.059 -0.028 0.000 0.908 733 L HN 0.255 nan 8.230 nan 0.000 0.437 734 T N -0.208 114.317 114.554 -0.048 0.000 2.777 734 T HA -0.120 4.258 4.350 0.047 0.000 0.266 734 T C 2.100 176.767 174.700 -0.054 0.000 1.040 734 T CA 0.947 63.024 62.100 -0.039 0.000 1.141 734 T CB -0.111 68.735 68.868 -0.036 0.000 0.868 734 T HN 0.193 nan 8.240 nan 0.000 0.444 735 L N 0.330 121.502 121.223 -0.086 0.000 2.046 735 L HA -0.053 4.316 4.340 0.047 0.000 0.208 735 L C 2.711 179.515 176.870 -0.109 0.000 1.077 735 L CA 1.277 56.047 54.840 -0.117 0.000 0.747 735 L CB -0.563 41.406 42.059 -0.149 0.000 0.896 735 L HN 0.283 nan 8.230 nan 0.000 0.432 736 M N -0.581 118.969 119.600 -0.083 0.000 2.149 736 M HA -0.197 4.311 4.480 0.047 0.000 0.261 736 M C 2.464 178.764 176.300 0.000 0.000 1.064 736 M CA 1.773 57.045 55.300 -0.048 0.000 1.102 736 M CB -0.537 32.043 32.600 -0.034 0.000 1.369 736 M HN 0.335 nan 8.290 nan 0.000 0.408 737 A N 0.237 123.057 122.820 0.001 0.000 2.019 737 A HA 0.036 4.384 4.320 0.047 0.000 0.219 737 A C 2.155 179.777 177.584 0.063 0.000 1.164 737 A CA 1.687 53.743 52.037 0.032 0.000 0.644 737 A CB -0.639 18.374 19.000 0.022 0.000 0.805 737 A HN 0.507 nan 8.150 nan 0.000 0.449 738 A N -2.506 120.332 122.820 0.029 0.000 2.278 738 A HA 0.334 4.682 4.320 0.047 0.000 0.212 738 A C 0.969 178.575 177.584 0.037 0.000 1.213 738 A CA 1.259 53.323 52.037 0.045 0.000 0.840 738 A CB -0.534 18.450 19.000 -0.027 0.000 0.866 738 A HN 0.948 nan 8.150 nan 0.000 0.489 739 H N -1.193 117.818 119.070 -0.098 0.000 4.955 739 H HA -0.202 4.382 4.556 0.047 0.000 0.059 739 H C -0.018 175.092 175.328 -0.364 0.000 0.580 739 H CA 2.436 58.403 56.048 -0.135 0.000 0.969 739 H CB -0.552 29.230 29.762 0.033 0.000 0.469 739 H HN 0.456 nan 8.280 nan 0.000 0.792 740 R N -0.252 119.660 120.500 -0.980 0.000 2.771 740 R HA 0.583 4.951 4.340 0.047 0.000 0.274 740 R C -0.688 174.750 176.300 -1.436 0.000 0.987 740 R CA -0.321 54.956 56.100 -1.372 0.000 0.908 740 R CB 1.821 30.949 30.300 -1.953 0.000 1.213 740 R HN 0.096 nan 8.270 nan 0.000 0.468 741 V N 2.820 122.143 119.914 -0.986 0.000 2.222 741 V HA 0.090 4.238 4.120 0.047 0.000 0.253 741 V C 0.805 176.522 176.094 -0.629 0.000 1.210 741 V CA -0.368 61.522 62.300 -0.685 0.000 1.079 741 V CB -0.411 31.153 31.823 -0.430 0.000 1.265 741 V HN 0.718 nan 8.190 nan 0.000 0.494 742 W N 1.732 122.752 121.300 -0.465 0.000 2.350 742 W HA -0.198 4.490 4.660 0.047 0.000 0.289 742 W C 2.561 178.870 176.519 -0.349 0.000 1.215 742 W CA 0.904 57.881 57.345 -0.613 0.000 1.236 742 W CB -0.407 28.341 29.460 -1.186 0.000 1.130 742 W HN 0.657 nan 8.180 nan 0.000 0.541 743 S N 0.688 116.354 115.700 -0.056 0.000 2.469 743 S HA -0.169 4.329 4.470 0.047 0.000 0.238 743 S C 1.699 176.267 174.600 -0.054 0.000 0.998 743 S CA 0.944 59.127 58.200 -0.028 0.000 0.957 743 S CB -0.451 62.732 63.200 -0.029 0.000 0.764 743 S HN 0.394 nan 8.310 nan 0.000 0.514 744 R N 0.684 121.108 120.500 -0.126 0.000 2.307 744 R HA 0.235 4.603 4.340 0.047 0.000 0.199 744 R C 1.696 177.925 176.300 -0.117 0.000 1.000 744 R CA 0.307 56.310 56.100 -0.162 0.000 1.023 744 R CB -0.393 29.701 30.300 -0.342 0.000 0.908 744 R HN 0.490 nan 8.270 nan 0.000 0.473 745 I N 1.751 122.294 120.570 -0.044 0.000 2.118 745 I HA -0.237 3.962 4.170 0.047 0.000 0.241 745 I C -0.790 175.349 176.117 0.036 0.000 1.070 745 I CA 1.354 62.669 61.300 0.025 0.000 1.327 745 I CB -1.015 37.051 38.000 0.109 0.000 1.034 745 I HN 0.151 nan 8.210 nan 0.000 0.405 746 P HA -0.185 nan 4.420 nan 0.000 0.218 746 P C 1.111 178.439 177.300 0.048 0.000 1.146 746 P CA 1.569 64.697 63.100 0.047 0.000 0.813 746 P CB -0.098 31.628 31.700 0.043 0.000 0.778 747 K N -0.690 119.735 120.400 0.041 0.000 2.361 747 K HA 0.101 4.449 4.320 0.047 0.000 0.196 747 K C 2.028 178.691 176.600 0.105 0.000 1.039 747 K CA 0.547 56.883 56.287 0.080 0.000 1.001 747 K CB -0.287 32.285 32.500 0.121 0.000 0.795 747 K HN 0.289 nan 8.250 nan 0.000 0.495 748 I N -1.398 119.202 120.570 0.051 0.000 2.546 748 I HA -0.106 4.092 4.170 0.047 0.000 0.255 748 I C 1.184 177.344 176.117 0.071 0.000 1.163 748 I CA 1.267 62.603 61.300 0.059 0.000 1.457 748 I CB -0.169 37.818 38.000 -0.022 0.000 1.092 748 I HN -0.154 nan 8.210 nan 0.000 0.434 749 D N 1.974 122.415 120.400 0.069 0.000 2.190 749 D HA -0.161 4.507 4.640 0.047 0.000 0.200 749 D C 1.913 178.251 176.300 0.063 0.000 0.992 749 D CA 1.138 55.179 54.000 0.069 0.000 0.854 749 D CB -0.066 40.776 40.800 0.070 0.000 0.936 749 D HN 0.193 nan 8.370 nan 0.000 0.462 750 K N 0.012 120.451 120.400 0.064 0.000 2.439 750 K HA 0.145 4.493 4.320 0.047 0.000 0.197 750 K C 0.610 177.241 176.600 0.051 0.000 1.041 750 K CA -0.108 56.212 56.287 0.054 0.000 0.970 750 K CB -0.124 32.408 32.500 0.052 0.000 0.773 750 K HN 0.267 nan 8.250 nan 0.000 0.479 751 I N 3.222 123.831 120.570 0.065 0.000 2.337 751 I HA 0.123 4.321 4.170 0.047 0.000 0.291 751 I C -2.151 173.992 176.117 0.043 0.000 1.046 751 I CA -2.468 58.862 61.300 0.050 0.000 1.324 751 I CB 1.022 39.069 38.000 0.078 0.000 1.409 751 I HN -0.060 nan 8.210 nan 0.000 0.494 752 P HA 0.293 nan 4.420 nan 0.000 0.260 752 P C -0.903 176.450 177.300 0.089 0.000 1.651 752 P CA 0.053 63.186 63.100 0.056 0.000 1.139 752 P CB 0.277 32.006 31.700 0.048 0.000 1.756 753 A N 0.000 122.872 122.820 0.086 0.000 2.254 753 A HA 0.000 4.348 4.320 0.047 0.000 0.244 753 A CA 0.000 52.131 52.037 0.157 0.000 0.836 753 A CB 0.000 18.967 19.000 -0.056 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486