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 1cf9_1_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STCQGGAGSA 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 0.000 176.284 176.300 -0.027 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 28 S N 0.045 115.724 115.700 -0.035 0.000 3.671 28 S HA -0.081 4.262 4.470 -0.212 0.000 0.206 28 S C 0.939 175.501 174.600 -0.064 0.000 1.225 28 S CA 0.062 58.234 58.200 -0.047 0.000 0.776 28 S CB -1.503 61.673 63.200 -0.039 0.000 0.816 28 S HN 0.453 nan 8.310 nan 0.000 0.786 29 L N 0.660 121.845 121.223 -0.064 0.000 2.261 29 L HA 0.090 4.303 4.340 -0.212 0.000 0.216 29 L C 1.598 178.397 176.870 -0.119 0.000 1.114 29 L CA 1.320 56.117 54.840 -0.072 0.000 0.777 29 L CB -0.705 41.322 42.059 -0.052 0.000 0.910 29 L HN 0.640 nan 8.230 nan 0.000 0.440 30 A N 1.069 123.771 122.820 -0.197 0.000 2.425 30 A HA 0.404 4.597 4.320 -0.212 0.000 0.249 30 A C -1.930 175.507 177.584 -0.245 0.000 1.084 30 A CA -1.076 50.734 52.037 -0.378 0.000 0.781 30 A CB -0.384 18.154 19.000 -0.769 0.000 1.019 30 A HN -0.005 nan 8.150 nan 0.000 0.490 31 P HA 0.182 nan 4.420 nan 0.000 0.274 31 P C 0.070 177.351 177.300 -0.032 0.000 1.231 31 P CA -0.133 62.928 63.100 -0.065 0.000 0.790 31 P CB 0.901 32.597 31.700 -0.007 0.000 0.951 32 E N 0.904 121.099 120.200 -0.009 0.000 2.268 32 E HA -0.167 4.056 4.350 -0.212 0.000 0.195 32 E C 1.013 177.633 176.600 0.034 0.000 0.995 32 E CA 1.208 57.614 56.400 0.009 0.000 0.836 32 E CB -0.453 29.249 29.700 0.002 0.000 0.763 32 E HN 0.475 nan 8.360 nan 0.000 0.491 33 D N -1.576 118.851 120.400 0.045 0.000 2.355 33 D HA 0.042 4.555 4.640 -0.212 0.000 0.218 33 D C 1.216 177.564 176.300 0.080 0.000 1.004 33 D CA 0.756 54.787 54.000 0.051 0.000 0.880 33 D CB -0.417 40.407 40.800 0.041 0.000 0.911 33 D HN 0.148 nan 8.370 nan 0.000 0.528 34 G N 0.521 109.409 108.800 0.147 0.000 2.198 34 G HA2 -0.334 3.499 3.960 -0.212 0.000 0.260 34 G HA3 -0.334 3.499 3.960 -0.212 0.000 0.260 34 G C 0.950 175.932 174.900 0.138 0.000 1.025 34 G CA 0.837 46.067 45.100 0.217 0.000 0.769 34 G HN 0.647 nan 8.290 nan 0.000 0.507 35 S N -0.013 115.792 115.700 0.176 0.000 2.603 35 S HA -0.011 4.332 4.470 -0.212 0.000 0.220 35 S C 1.936 176.594 174.600 0.097 0.000 0.967 35 S CA 1.062 59.317 58.200 0.092 0.000 0.920 35 S CB -0.406 62.838 63.200 0.073 0.000 0.773 35 S HN 0.920 nan 8.310 nan 0.000 0.529 36 H N 0.704 119.782 119.070 0.013 0.000 2.470 36 H HA 0.273 4.701 4.556 -0.212 0.000 0.289 36 H C 0.610 175.951 175.328 0.021 0.000 1.033 36 H CA 0.366 56.423 56.048 0.015 0.000 1.331 36 H CB -0.361 29.409 29.762 0.013 0.000 1.414 36 H HN 0.210 nan 8.280 nan 0.000 0.545 37 R N 2.684 122.830 120.500 -0.589 0.000 2.265 37 R HA 0.347 4.559 4.340 -0.212 0.000 0.319 37 R C -2.432 173.773 176.300 -0.158 0.000 1.006 37 R CA -2.229 53.642 56.100 -0.381 0.000 0.880 37 R CB 0.806 30.817 30.300 -0.481 0.000 1.077 37 R HN 0.235 nan 8.270 nan 0.000 0.454 38 P HA 0.215 nan 4.420 nan 0.000 0.279 38 P C -1.034 176.258 177.300 -0.014 0.000 1.239 38 P CA -0.560 62.528 63.100 -0.019 0.000 0.789 38 P CB 1.151 32.863 31.700 0.021 0.000 0.933 39 A N 2.681 125.500 122.820 -0.002 0.000 2.498 39 A HA 0.410 4.602 4.320 -0.212 0.000 0.239 39 A C 0.809 178.404 177.584 0.018 0.000 1.068 39 A CA 0.015 52.053 52.037 0.003 0.000 0.766 39 A CB -0.397 18.607 19.000 0.007 0.000 1.003 39 A HN 0.573 nan 8.150 nan 0.000 0.497 40 A N 2.981 125.810 122.820 0.016 0.000 3.091 40 A HA 0.530 4.723 4.320 -0.212 0.000 0.264 40 A C 0.182 177.783 177.584 0.029 0.000 1.673 40 A CA 0.163 52.215 52.037 0.026 0.000 1.362 40 A CB -0.900 18.113 19.000 0.021 0.000 1.137 40 A HN 0.976 nan 8.150 nan 0.000 0.617 41 E N -0.201 120.019 120.200 0.034 0.000 2.388 41 E HA 0.451 4.674 4.350 -0.212 0.000 0.281 41 E C -3.280 173.342 176.600 0.038 0.000 1.046 41 E CA -2.147 54.274 56.400 0.035 0.000 0.825 41 E CB 0.838 30.553 29.700 0.026 0.000 1.243 41 E HN 0.074 nan 8.360 nan 0.000 0.438 42 P HA 0.025 nan 4.420 nan 0.000 0.263 42 P C -0.550 176.763 177.300 0.022 0.000 1.195 42 P CA 0.307 63.425 63.100 0.029 0.000 0.762 42 P CB 0.448 32.154 31.700 0.009 0.000 0.799 43 T N 0.786 115.351 114.554 0.019 0.000 2.909 43 T HA 0.605 4.827 4.350 -0.212 0.000 0.299 43 T C -3.038 171.647 174.700 -0.026 0.000 1.073 43 T CA -2.693 59.414 62.100 0.011 0.000 0.999 43 T CB 1.491 70.368 68.868 0.016 0.000 1.098 43 T HN 0.030 nan 8.240 nan 0.000 0.477 44 P HA 0.335 nan 4.420 nan 0.000 0.272 44 P C -2.653 174.527 177.300 -0.200 0.000 1.230 44 P CA -1.377 61.597 63.100 -0.211 0.000 0.788 44 P CB -0.883 30.776 31.700 -0.069 0.000 0.949 45 P HA 0.021 nan 4.420 nan 0.000 0.262 45 P C 1.092 178.354 177.300 -0.065 0.000 1.182 45 P CA 1.447 64.459 63.100 -0.147 0.000 0.761 45 P CB -0.157 31.446 31.700 -0.162 0.000 0.795 46 G N 2.754 111.545 108.800 -0.016 0.000 2.234 46 G HA2 -0.355 3.478 3.960 -0.212 0.000 0.260 46 G HA3 -0.355 3.478 3.960 -0.212 0.000 0.260 46 G C 1.150 176.053 174.900 0.006 0.000 0.987 46 G CA 0.470 45.572 45.100 0.004 0.000 0.625 46 G HN 0.686 nan 8.290 nan 0.000 0.532 47 A N -1.225 121.595 122.820 -0.000 0.000 1.968 47 A HA 0.420 4.612 4.320 -0.212 0.000 0.217 47 A C 1.356 178.948 177.584 0.013 0.000 1.169 47 A CA 1.950 53.991 52.037 0.007 0.000 0.638 47 A CB 0.019 19.022 19.000 0.006 0.000 0.812 47 A HN 0.465 nan 8.150 nan 0.000 0.446 48 Q N -0.967 118.845 119.800 0.019 0.000 2.456 48 Q HA 0.455 4.668 4.340 -0.212 0.000 0.283 48 Q C -2.941 173.079 176.000 0.032 0.000 1.084 48 Q CA -2.122 53.696 55.803 0.024 0.000 0.801 48 Q CB 1.217 29.974 28.738 0.031 0.000 1.434 48 Q HN 0.077 nan 8.270 nan 0.000 0.419 49 P HA 0.059 nan 4.420 nan 0.000 0.268 49 P C -0.271 177.064 177.300 0.059 0.000 1.205 49 P CA 0.024 63.142 63.100 0.031 0.000 0.771 49 P CB 0.285 31.999 31.700 0.024 0.000 0.858 50 T N -0.511 114.081 114.554 0.063 0.000 2.813 50 T HA 0.632 4.855 4.350 -0.212 0.000 0.297 50 T C -0.008 174.788 174.700 0.159 0.000 1.036 50 T CA -0.484 61.708 62.100 0.154 0.000 1.044 50 T CB 0.733 69.631 68.868 0.050 0.000 0.993 50 T HN 0.592 nan 8.240 nan 0.000 0.535 51 A N 1.230 124.245 122.820 0.325 0.000 2.610 51 A HA 0.749 4.942 4.320 -0.212 0.000 0.291 51 A C -3.097 174.748 177.584 0.436 0.000 1.086 51 A CA -1.896 50.302 52.037 0.268 0.000 0.677 51 A CB 0.455 19.561 19.000 0.176 0.000 1.278 51 A HN 0.652 nan 8.150 nan 0.000 0.414 52 P HA 0.125 nan 4.420 nan 0.000 0.264 52 P C 1.273 178.725 177.300 0.253 0.000 1.183 52 P CA 1.001 64.318 63.100 0.361 0.000 0.763 52 P CB 0.522 32.356 31.700 0.223 0.000 0.807 53 G N 2.532 111.442 108.800 0.183 0.000 2.505 53 G HA2 -0.324 3.509 3.960 -0.212 0.000 0.220 53 G HA3 -0.324 3.509 3.960 -0.212 0.000 0.220 53 G C 1.574 176.491 174.900 0.028 0.000 1.145 53 G CA 1.229 46.348 45.100 0.030 0.000 0.761 53 G HN 0.596 nan 8.290 nan 0.000 0.571 54 S N 0.120 115.841 115.700 0.035 0.000 2.447 54 S HA 0.112 4.455 4.470 -0.212 0.000 0.233 54 S C 2.229 176.848 174.600 0.031 0.000 1.006 54 S CA 0.941 59.148 58.200 0.012 0.000 0.957 54 S CB -0.197 63.005 63.200 0.002 0.000 0.773 54 S HN 0.335 nan 8.310 nan 0.000 0.507 55 L N -0.105 121.153 121.223 0.058 0.000 2.249 55 L HA 0.230 4.443 4.340 -0.212 0.000 0.207 55 L C 2.697 179.600 176.870 0.054 0.000 1.090 55 L CA 0.924 55.798 54.840 0.057 0.000 0.802 55 L CB -0.383 41.718 42.059 0.070 0.000 0.947 55 L HN 0.266 nan 8.230 nan 0.000 0.453 56 K N 1.451 121.893 120.400 0.070 0.000 2.116 56 K HA 0.048 4.241 4.320 -0.212 0.000 0.203 56 K C 0.663 177.293 176.600 0.049 0.000 1.052 56 K CA 1.233 57.562 56.287 0.069 0.000 0.952 56 K CB 0.140 32.697 32.500 0.096 0.000 0.729 56 K HN 0.140 nan 8.250 nan 0.000 0.446 57 A N 0.946 123.787 122.820 0.034 0.000 3.216 57 A HA 0.361 4.554 4.320 -0.212 0.000 0.321 57 A C -2.234 175.354 177.584 0.007 0.000 1.042 57 A CA -1.053 51.001 52.037 0.028 0.000 0.838 57 A CB 0.725 19.746 19.000 0.035 0.000 1.136 57 A HN 0.149 nan 8.150 nan 0.000 0.483 58 P HA -0.124 nan 4.420 nan 0.000 0.222 58 P C 0.428 177.721 177.300 -0.011 0.000 1.147 58 P CA 1.187 64.286 63.100 -0.002 0.000 0.790 58 P CB 0.448 32.151 31.700 0.005 0.000 0.780 59 D N -0.883 119.515 120.400 -0.004 0.000 2.350 59 D HA 0.004 4.517 4.640 -0.212 0.000 0.213 59 D C -0.036 176.251 176.300 -0.021 0.000 1.031 59 D CA 0.394 54.388 54.000 -0.010 0.000 0.861 59 D CB -0.358 40.443 40.800 0.001 0.000 0.926 59 D HN 0.010 nan 8.370 nan 0.000 0.520 60 T N 2.011 116.550 114.554 -0.025 0.000 2.738 60 T HA 0.297 4.519 4.350 -0.212 0.000 0.293 60 T C 0.402 175.054 174.700 -0.080 0.000 0.913 60 T CA -0.073 61.997 62.100 -0.050 0.000 1.103 60 T CB 0.814 69.648 68.868 -0.056 0.000 0.880 60 T HN -0.034 nan 8.240 nan 0.000 0.526 61 R N 2.994 123.440 120.500 -0.091 0.000 2.867 61 R HA 0.664 4.877 4.340 -0.212 0.000 0.268 61 R C -0.617 175.616 176.300 -0.112 0.000 1.014 61 R CA -1.072 54.967 56.100 -0.101 0.000 0.946 61 R CB 1.822 32.073 30.300 -0.082 0.000 1.208 61 R HN 0.755 nan 8.270 nan 0.000 0.477 62 N N -1.553 117.084 118.700 -0.105 0.000 2.823 62 N HA -0.023 4.590 4.740 -0.212 0.000 0.251 62 N C 0.096 175.557 175.510 -0.081 0.000 1.392 62 N CA -0.836 52.165 53.050 -0.082 0.000 0.864 62 N CB 0.910 39.375 38.487 -0.036 0.000 1.481 62 N HN 0.656 nan 8.380 nan 0.000 0.508 63 E N 0.206 120.373 120.200 -0.055 0.000 2.085 63 E HA -0.302 3.921 4.350 -0.212 0.000 0.194 63 E C 1.077 177.608 176.600 -0.115 0.000 0.994 63 E CA 1.560 57.924 56.400 -0.060 0.000 0.801 63 E CB 0.044 29.732 29.700 -0.019 0.000 0.743 63 E HN 0.507 nan 8.360 nan 0.000 0.453 64 K N 0.785 121.083 120.400 -0.170 0.000 2.026 64 K HA -0.123 4.070 4.320 -0.212 0.000 0.208 64 K C 2.156 178.598 176.600 -0.263 0.000 1.048 64 K CA 1.495 57.594 56.287 -0.314 0.000 0.929 64 K CB -0.507 31.674 32.500 -0.532 0.000 0.713 64 K HN 0.225 nan 8.250 nan 0.000 0.439 65 L N 0.739 121.816 121.223 -0.243 0.000 2.083 65 L HA -0.204 4.008 4.340 -0.212 0.000 0.209 65 L C 1.877 178.635 176.870 -0.187 0.000 1.083 65 L CA 1.277 55.950 54.840 -0.279 0.000 0.752 65 L CB -0.581 41.298 42.059 -0.300 0.000 0.899 65 L HN 0.253 nan 8.230 nan 0.000 0.433 66 N N -0.396 118.219 118.700 -0.141 0.000 2.244 66 N HA -0.135 4.478 4.740 -0.212 0.000 0.183 66 N C 2.043 177.496 175.510 -0.095 0.000 1.016 66 N CA 1.545 54.534 53.050 -0.102 0.000 0.866 66 N CB -0.316 38.123 38.487 -0.080 0.000 0.980 66 N HN 0.348 nan 8.380 nan 0.000 0.430 67 S N 0.026 115.660 115.700 -0.111 0.000 2.515 67 S HA 0.076 4.418 4.470 -0.212 0.000 0.231 67 S C 1.688 176.229 174.600 -0.098 0.000 0.987 67 S CA 0.254 58.396 58.200 -0.096 0.000 0.936 67 S CB -0.342 62.799 63.200 -0.097 0.000 0.766 67 S HN 0.224 nan 8.310 nan 0.000 0.528 68 L N 0.664 121.815 121.223 -0.121 0.000 2.558 68 L HA 0.216 4.429 4.340 -0.212 0.000 0.225 68 L C 2.560 179.385 176.870 -0.075 0.000 1.128 68 L CA 0.454 55.231 54.840 -0.105 0.000 0.868 68 L CB -0.286 41.692 42.059 -0.135 0.000 1.006 68 L HN 0.281 nan 8.230 nan 0.000 0.454 69 E N 1.052 121.210 120.200 -0.069 0.000 2.160 69 E HA -0.259 3.963 4.350 -0.212 0.000 0.195 69 E C 1.680 178.261 176.600 -0.033 0.000 0.991 69 E CA 1.496 57.868 56.400 -0.047 0.000 0.810 69 E CB -0.046 29.628 29.700 -0.043 0.000 0.742 69 E HN 0.552 nan 8.360 nan 0.000 0.466 70 D N -0.550 119.830 120.400 -0.034 0.000 2.309 70 D HA -0.133 4.380 4.640 -0.212 0.000 0.212 70 D C 1.525 177.812 176.300 -0.021 0.000 0.968 70 D CA 1.455 55.440 54.000 -0.025 0.000 0.882 70 D CB -0.219 40.564 40.800 -0.027 0.000 0.918 70 D HN 0.291 nan 8.370 nan 0.000 0.503 71 V N -3.437 116.463 119.914 -0.023 0.000 3.528 71 V HA 0.339 4.332 4.120 -0.212 0.000 0.294 71 V C 0.803 176.893 176.094 -0.007 0.000 1.404 71 V CA -0.724 61.568 62.300 -0.013 0.000 1.065 71 V CB -0.553 31.264 31.823 -0.011 0.000 0.904 71 V HN -0.155 nan 8.190 nan 0.000 0.435 72 R N 2.038 122.532 120.500 -0.010 0.000 2.491 72 R HA 0.450 4.663 4.340 -0.212 0.000 0.283 72 R C -0.159 176.144 176.300 0.005 0.000 1.072 72 R CA 0.022 56.123 56.100 0.003 0.000 1.048 72 R CB 0.816 31.117 30.300 0.003 0.000 0.983 72 R HN 0.345 nan 8.270 nan 0.000 0.450 73 K N 1.288 121.695 120.400 0.012 0.000 2.292 73 K HA 0.337 4.530 4.320 -0.212 0.000 0.257 73 K C -0.092 176.525 176.600 0.028 0.000 0.940 73 K CA -0.458 55.827 56.287 -0.004 0.000 0.811 73 K CB 1.834 34.317 32.500 -0.028 0.000 1.120 73 K HN 0.735 nan 8.250 nan 0.000 0.428 74 G N 0.491 109.324 108.800 0.054 0.000 2.531 74 G HA2 0.255 4.088 3.960 -0.212 0.000 0.253 74 G HA3 0.255 4.088 3.960 -0.212 0.000 0.253 74 G C 0.311 175.303 174.900 0.154 0.000 1.439 74 G CA 0.214 45.391 45.100 0.130 0.000 1.056 74 G HN 0.705 nan 8.290 nan 0.000 0.555 75 S N -2.592 113.266 115.700 0.262 0.000 2.961 75 S HA 0.135 4.478 4.470 -0.212 0.000 0.253 75 S C 0.265 175.031 174.600 0.276 0.000 1.029 75 S CA -0.217 58.139 58.200 0.259 0.000 1.087 75 S CB 0.098 63.378 63.200 0.134 0.000 0.932 75 S HN 0.501 nan 8.310 nan 0.000 0.418 76 E N 3.031 123.321 120.200 0.150 0.000 2.465 76 E HA 0.201 4.424 4.350 -0.212 0.000 0.260 76 E C -0.271 176.260 176.600 -0.116 0.000 0.980 76 E CA 0.262 56.681 56.400 0.032 0.000 0.927 76 E CB 0.048 29.756 29.700 0.014 0.000 0.934 76 E HN 0.378 nan 8.360 nan 0.000 0.459 77 N N 0.821 119.463 118.700 -0.097 0.000 2.828 77 N HA -0.215 4.398 4.740 -0.212 0.000 0.248 77 N C -1.075 174.306 175.510 -0.214 0.000 1.044 77 N CA 1.173 54.121 53.050 -0.171 0.000 0.851 77 N CB -1.412 36.931 38.487 -0.238 0.000 1.136 77 N HN 0.382 nan 8.380 nan 0.000 0.572 78 Y N 0.464 120.770 120.300 0.010 0.000 2.453 78 Y HA 0.667 5.090 4.550 -0.211 0.000 0.326 78 Y C 0.977 176.880 175.900 0.005 0.000 1.186 78 Y CA -0.443 57.662 58.100 0.007 0.000 1.200 78 Y CB 0.907 39.372 38.460 0.008 0.000 1.247 78 Y HN 0.104 nan 8.280 nan 0.000 0.482 79 A N 1.695 124.635 122.820 0.199 0.000 2.322 79 A HA 0.456 4.649 4.320 -0.212 0.000 0.269 79 A C -0.912 176.720 177.584 0.080 0.000 1.094 79 A CA -0.542 51.556 52.037 0.102 0.000 0.807 79 A CB 0.175 19.221 19.000 0.077 0.000 1.047 79 A HN 0.710 nan 8.150 nan 0.000 0.487 80 L N 2.573 123.824 121.223 0.047 0.000 2.361 80 L HA 0.511 4.724 4.340 -0.212 0.000 0.278 80 L C 0.632 177.510 176.870 0.013 0.000 1.113 80 L CA 0.854 55.708 54.840 0.023 0.000 0.849 80 L CB 0.455 42.520 42.059 0.010 0.000 1.155 80 L HN 0.891 nan 8.230 nan 0.000 0.452 81 T N 0.434 114.990 114.554 0.003 0.000 2.888 81 T HA 0.695 4.918 4.350 -0.212 0.000 0.288 81 T C 0.317 175.017 174.700 0.000 0.000 1.063 81 T CA -0.148 61.955 62.100 0.006 0.000 1.010 81 T CB 1.101 69.973 68.868 0.007 0.000 1.214 81 T HN 0.752 nan 8.240 nan 0.000 0.533 82 T N 0.086 114.655 114.554 0.025 0.000 2.732 82 T HA 0.242 4.465 4.350 -0.212 0.000 0.287 82 T C 1.097 175.807 174.700 0.017 0.000 0.993 82 T CA -0.608 61.512 62.100 0.034 0.000 0.966 82 T CB -0.069 68.863 68.868 0.107 0.000 1.047 82 T HN 0.564 nan 8.240 nan 0.000 0.527 83 N N 0.459 119.168 118.700 0.015 0.000 2.453 83 N HA -0.068 4.545 4.740 -0.212 0.000 0.183 83 N C 1.581 177.101 175.510 0.016 0.000 1.041 83 N CA 0.586 53.637 53.050 0.001 0.000 0.900 83 N CB -0.159 38.333 38.487 0.008 0.000 0.961 83 N HN 0.549 nan 8.380 nan 0.000 0.443 84 Q N -0.579 119.243 119.800 0.037 0.000 2.360 84 Q HA 0.187 4.400 4.340 -0.212 0.000 0.202 84 Q C 0.889 176.904 176.000 0.025 0.000 0.915 84 Q CA 0.264 56.085 55.803 0.030 0.000 0.943 84 Q CB 0.534 29.294 28.738 0.038 0.000 1.064 84 Q HN 0.416 nan 8.270 nan 0.000 0.511 85 G N 0.311 109.125 108.800 0.024 0.000 2.159 85 G HA2 -0.228 3.604 3.960 -0.212 0.000 0.227 85 G HA3 -0.228 3.604 3.960 -0.212 0.000 0.227 85 G C 0.106 175.027 174.900 0.036 0.000 0.986 85 G CA 0.076 45.185 45.100 0.016 0.000 0.651 85 G HN 0.210 nan 8.290 nan 0.000 0.523 86 V N 2.023 121.976 119.914 0.064 0.000 2.461 86 V HA 0.367 4.360 4.120 -0.212 0.000 0.275 86 V C 1.292 177.426 176.094 0.067 0.000 1.047 86 V CA -0.524 61.828 62.300 0.087 0.000 0.955 86 V CB 1.102 33.024 31.823 0.165 0.000 0.988 86 V HN 0.387 nan 8.190 nan 0.000 0.471 87 R N 4.380 124.912 120.500 0.053 0.000 2.537 87 R HA 0.358 4.571 4.340 -0.212 0.000 0.280 87 R C -0.521 175.794 176.300 0.026 0.000 1.058 87 R CA -0.076 56.045 56.100 0.036 0.000 1.057 87 R CB 0.509 30.830 30.300 0.035 0.000 0.973 87 R HN 0.576 nan 8.270 nan 0.000 0.438 88 I N 2.073 122.646 120.570 0.005 0.000 2.353 88 I HA 0.118 4.161 4.170 -0.212 0.000 0.293 88 I C 1.005 177.112 176.117 -0.017 0.000 0.992 88 I CA 0.005 61.292 61.300 -0.022 0.000 1.268 88 I CB 1.871 39.847 38.000 -0.040 0.000 1.387 88 I HN 0.768 nan 8.210 nan 0.000 0.478 89 A N 4.067 126.873 122.820 -0.023 0.000 1.911 89 A HA 0.010 4.203 4.320 -0.212 0.000 0.212 89 A C 0.664 178.233 177.584 -0.025 0.000 1.189 89 A CA 0.969 52.995 52.037 -0.017 0.000 0.639 89 A CB 0.061 19.053 19.000 -0.013 0.000 0.839 89 A HN 0.687 nan 8.150 nan 0.000 0.449 90 D N -0.556 119.820 120.400 -0.040 0.000 2.421 90 D HA 0.320 4.833 4.640 -0.212 0.000 0.254 90 D C -1.521 174.747 176.300 -0.054 0.000 1.238 90 D CA -0.359 53.616 54.000 -0.041 0.000 0.919 90 D CB 1.161 41.937 40.800 -0.041 0.000 1.152 90 D HN 0.073 nan 8.370 nan 0.000 0.552 91 D N 2.187 122.559 120.400 -0.047 0.000 2.587 91 D HA 0.087 4.600 4.640 -0.212 0.000 0.233 91 D C 0.471 176.740 176.300 -0.051 0.000 1.213 91 D CA 0.165 54.133 54.000 -0.053 0.000 0.827 91 D CB 0.450 41.224 40.800 -0.044 0.000 1.006 91 D HN 0.190 nan 8.370 nan 0.000 0.490 92 Q N -0.660 119.111 119.800 -0.048 0.000 2.211 92 Q HA 0.278 4.490 4.340 -0.212 0.000 0.242 92 Q C -0.223 175.748 176.000 -0.047 0.000 0.825 92 Q CA 0.130 55.906 55.803 -0.045 0.000 0.951 92 Q CB 0.838 29.554 28.738 -0.036 0.000 1.130 92 Q HN 0.192 nan 8.270 nan 0.000 0.496 93 N N 0.121 118.790 118.700 -0.051 0.000 2.277 93 N HA 0.320 4.933 4.740 -0.212 0.000 0.286 93 N C -0.992 174.485 175.510 -0.056 0.000 1.140 93 N CA -0.241 52.781 53.050 -0.048 0.000 0.799 93 N CB 2.156 40.620 38.487 -0.039 0.000 1.596 93 N HN -0.185 nan 8.380 nan 0.000 0.473 94 S N 0.790 116.460 115.700 -0.051 0.000 2.603 94 S HA 0.284 4.627 4.470 -0.212 0.000 0.268 94 S C 0.154 174.729 174.600 -0.043 0.000 1.317 94 S CA -0.554 57.616 58.200 -0.051 0.000 1.012 94 S CB 0.731 63.908 63.200 -0.038 0.000 0.926 94 S HN 0.378 nan 8.310 nan 0.000 0.539 95 L N 3.587 124.784 121.223 -0.044 0.000 2.319 95 L HA 0.428 4.640 4.340 -0.212 0.000 0.280 95 L C 0.089 176.950 176.870 -0.015 0.000 1.099 95 L CA 0.430 55.252 54.840 -0.029 0.000 0.828 95 L CB -0.017 42.028 42.059 -0.025 0.000 1.150 95 L HN 0.729 nan 8.230 nan 0.000 0.442 96 R N 4.118 124.612 120.500 -0.011 0.000 2.774 96 R HA 0.851 5.064 4.340 -0.212 0.000 0.272 96 R C -1.195 175.104 176.300 -0.002 0.000 1.000 96 R CA -0.877 55.220 56.100 -0.006 0.000 0.906 96 R CB 1.129 31.424 30.300 -0.009 0.000 1.227 96 R HN 0.592 nan 8.270 nan 0.000 0.468 97 A N 1.366 124.186 122.820 0.001 0.000 2.527 97 A HA 0.588 4.781 4.320 -0.212 0.000 0.313 97 A C 0.644 178.228 177.584 -0.000 0.000 1.410 97 A CA 0.372 52.410 52.037 0.002 0.000 1.060 97 A CB -0.874 18.128 19.000 0.004 0.000 1.137 97 A HN 1.237 nan 8.150 nan 0.000 0.542 98 G N 1.234 110.033 108.800 -0.001 0.000 2.690 98 G HA2 0.035 3.867 3.960 -0.212 0.000 0.686 98 G HA3 0.035 3.867 3.960 -0.212 0.000 0.686 98 G C 0.648 175.545 174.900 -0.005 0.000 1.277 98 G CA 0.122 45.220 45.100 -0.003 0.000 0.799 98 G HN 1.849 nan 8.290 nan 0.000 0.613 99 S N -0.616 115.080 115.700 -0.006 0.000 2.561 99 S HA 0.065 4.408 4.470 -0.212 0.000 0.225 99 S C 1.463 176.058 174.600 -0.009 0.000 0.977 99 S CA 1.222 59.417 58.200 -0.008 0.000 0.926 99 S CB 0.120 63.315 63.200 -0.009 0.000 0.769 99 S HN 0.740 nan 8.310 nan 0.000 0.533 100 R N 0.925 121.421 120.500 -0.007 0.000 2.652 100 R HA 0.366 4.579 4.340 -0.212 0.000 0.372 100 R C 0.846 177.143 176.300 -0.005 0.000 1.104 100 R CA -0.040 56.056 56.100 -0.007 0.000 1.072 100 R CB 0.815 31.112 30.300 -0.006 0.000 1.367 100 R HN 0.421 nan 8.270 nan 0.000 0.577 101 G N 1.489 110.286 108.800 -0.005 0.000 2.557 101 G HA2 0.404 4.237 3.960 -0.212 0.000 0.302 101 G HA3 0.404 4.237 3.960 -0.212 0.000 0.302 101 G C -2.394 172.504 174.900 -0.003 0.000 1.311 101 G CA -1.199 43.900 45.100 -0.003 0.000 1.030 101 G HN -0.098 nan 8.290 nan 0.000 0.509 102 P HA 0.227 nan 4.420 nan 0.000 0.275 102 P C -0.177 177.122 177.300 -0.000 0.000 1.228 102 P CA -0.062 63.038 63.100 0.000 0.000 0.786 102 P CB 0.733 32.435 31.700 0.003 0.000 0.927 103 T N 2.716 117.270 114.554 -0.001 0.000 2.884 103 T HA 0.287 4.510 4.350 -0.212 0.000 0.298 103 T C 0.471 175.174 174.700 0.005 0.000 0.998 103 T CA -0.210 61.889 62.100 -0.002 0.000 1.124 103 T CB 0.042 68.907 68.868 -0.005 0.000 0.931 103 T HN 0.178 nan 8.240 nan 0.000 0.531 104 L N 3.558 124.785 121.223 0.008 0.000 2.334 104 L HA 0.296 4.509 4.340 -0.212 0.000 0.277 104 L C 1.387 178.272 176.870 0.025 0.000 1.075 104 L CA -0.796 54.054 54.840 0.017 0.000 0.804 104 L CB 0.818 42.889 42.059 0.020 0.000 1.174 104 L HN 0.504 nan 8.230 nan 0.000 0.438 105 L N 2.367 123.609 121.223 0.031 0.000 2.191 105 L HA -0.192 4.021 4.340 -0.212 0.000 0.212 105 L C 2.320 179.226 176.870 0.061 0.000 1.103 105 L CA 1.638 56.503 54.840 0.041 0.000 0.769 105 L CB -0.614 41.468 42.059 0.037 0.000 0.908 105 L HN 0.788 nan 8.230 nan 0.000 0.438 106 E N -1.407 118.833 120.200 0.067 0.000 2.516 106 E HA -0.164 4.059 4.350 -0.212 0.000 0.199 106 E C 0.122 176.814 176.600 0.154 0.000 1.069 106 E CA 0.170 56.636 56.400 0.110 0.000 0.876 106 E CB -0.525 29.233 29.700 0.097 0.000 0.843 106 E HN 0.363 nan 8.360 nan 0.000 0.530 107 D N 1.178 121.627 120.400 0.082 0.000 2.416 107 D HA -0.041 4.472 4.640 -0.212 0.000 0.240 107 D C 0.504 176.819 176.300 0.024 0.000 1.250 107 D CA -0.552 53.453 54.000 0.009 0.000 0.967 107 D CB -0.097 40.679 40.800 -0.039 0.000 1.059 107 D HN 0.284 nan 8.370 nan 0.000 0.512 108 F N 2.463 122.419 119.950 0.010 0.000 2.325 108 F HA 0.079 4.479 4.527 -0.212 0.000 0.299 108 F C 1.605 177.414 175.800 0.014 0.000 1.090 108 F CA 0.209 58.217 58.000 0.013 0.000 1.392 108 F CB -0.645 38.362 39.000 0.011 0.000 1.053 108 F HN 0.208 nan 8.300 nan 0.000 0.521 109 I N 0.407 120.582 120.570 -0.659 0.000 2.233 109 I HA -0.188 3.855 4.170 -0.212 0.000 0.243 109 I C 2.456 178.470 176.117 -0.173 0.000 1.093 109 I CA 1.047 62.087 61.300 -0.432 0.000 1.380 109 I CB -0.499 37.186 38.000 -0.525 0.000 1.067 109 I HN 0.283 nan 8.210 nan 0.000 0.413 110 L N 1.057 122.191 121.223 -0.149 0.000 2.046 110 L HA -0.152 4.061 4.340 -0.212 0.000 0.208 110 L C 2.605 179.468 176.870 -0.011 0.000 1.077 110 L CA 1.767 56.566 54.840 -0.069 0.000 0.747 110 L CB -0.600 41.423 42.059 -0.061 0.000 0.896 110 L HN 0.034 nan 8.230 nan 0.000 0.432 111 R N -0.480 120.029 120.500 0.014 0.000 2.081 111 R HA -0.187 4.026 4.340 -0.212 0.000 0.235 111 R C 2.319 178.669 176.300 0.084 0.000 1.131 111 R CA 1.630 57.767 56.100 0.061 0.000 0.960 111 R CB -0.383 29.966 30.300 0.081 0.000 0.856 111 R HN 0.577 nan 8.270 nan 0.000 0.436 112 E N 1.056 121.308 120.200 0.086 0.000 2.058 112 E HA -0.262 3.961 4.350 -0.212 0.000 0.194 112 E C 1.949 178.618 176.600 0.115 0.000 0.997 112 E CA 1.410 57.873 56.400 0.106 0.000 0.801 112 E CB 0.065 29.831 29.700 0.110 0.000 0.746 112 E HN 0.155 nan 8.360 nan 0.000 0.450 113 K N 0.196 120.638 120.400 0.069 0.000 2.057 113 K HA -0.143 4.049 4.320 -0.212 0.000 0.207 113 K C 2.133 178.811 176.600 0.130 0.000 1.049 113 K CA 1.300 57.630 56.287 0.072 0.000 0.931 113 K CB -0.027 32.474 32.500 0.002 0.000 0.714 113 K HN 0.145 nan 8.250 nan 0.000 0.440 114 I N 1.328 121.959 120.570 0.101 0.000 2.315 114 I HA -0.181 3.861 4.170 -0.212 0.000 0.248 114 I C 2.139 178.402 176.117 0.243 0.000 1.117 114 I CA 1.317 62.707 61.300 0.149 0.000 1.404 114 I CB -1.441 36.610 38.000 0.084 0.000 1.071 114 I HN 0.231 nan 8.210 nan 0.000 0.419 115 T N -0.213 114.465 114.554 0.206 0.000 2.708 115 T HA -0.227 3.996 4.350 -0.212 0.000 0.266 115 T C 1.968 176.837 174.700 0.282 0.000 1.037 115 T CA 1.476 63.720 62.100 0.240 0.000 1.146 115 T CB -0.448 68.513 68.868 0.155 0.000 0.865 115 T HN 0.346 nan 8.240 nan 0.000 0.435 116 H N 0.001 119.166 119.070 0.158 0.000 2.353 116 H HA -0.083 4.346 4.556 -0.211 0.000 0.300 116 H C 2.197 177.614 175.328 0.149 0.000 1.090 116 H CA 1.605 57.729 56.048 0.127 0.000 1.327 116 H CB -0.460 29.349 29.762 0.079 0.000 1.383 116 H HN 0.395 nan 8.280 nan 0.000 0.508 117 F N 2.116 122.164 119.950 0.163 0.000 2.126 117 F HA -0.195 4.206 4.527 -0.209 0.000 0.299 117 F C 1.997 177.801 175.800 0.008 0.000 1.096 117 F CA 1.763 59.807 58.000 0.075 0.000 1.255 117 F CB -0.365 38.667 39.000 0.054 0.000 0.997 117 F HN 0.071 nan 8.300 nan 0.000 0.479 118 D N -1.104 119.337 120.400 0.068 0.000 2.263 118 D HA -0.166 4.347 4.640 -0.212 0.000 0.208 118 D C 1.335 177.426 176.300 -0.348 0.000 0.971 118 D CA 1.304 55.227 54.000 -0.128 0.000 0.867 118 D CB -0.459 40.339 40.800 -0.002 0.000 0.929 118 D HN 0.522 nan 8.370 nan 0.000 0.492 119 H N -0.134 118.815 119.070 -0.201 0.000 2.486 119 H HA 0.195 4.623 4.556 -0.213 0.000 0.284 119 H C 0.922 176.081 175.328 -0.282 0.000 1.103 119 H CA -0.044 55.875 56.048 -0.214 0.000 1.089 119 H CB 0.604 30.247 29.762 -0.199 0.000 1.603 119 H HN 0.277 nan 8.280 nan 0.000 0.557 120 E N 0.658 120.698 120.200 -0.267 0.000 2.150 120 E HA -0.042 4.181 4.350 -0.212 0.000 0.193 120 E C 0.538 176.993 176.600 -0.240 0.000 0.985 120 E CA 0.532 56.748 56.400 -0.306 0.000 0.814 120 E CB 0.436 29.938 29.700 -0.330 0.000 0.752 120 E HN 0.184 nan 8.360 nan 0.000 0.466 121 R N 1.245 121.654 120.500 -0.153 0.000 2.459 121 R HA 0.382 4.595 4.340 -0.212 0.000 0.281 121 R C 0.430 176.759 176.300 0.048 0.000 1.050 121 R CA -0.273 55.809 56.100 -0.029 0.000 1.055 121 R CB 0.830 31.096 30.300 -0.057 0.000 1.045 121 R HN 0.144 nan 8.270 nan 0.000 0.495 122 I N -1.125 119.533 120.570 0.147 0.000 3.067 122 I HA 0.594 4.637 4.170 -0.212 0.000 0.312 122 I C -2.228 173.933 176.117 0.073 0.000 1.073 122 I CA -2.988 58.382 61.300 0.116 0.000 1.016 122 I CB 1.713 39.813 38.000 0.167 0.000 1.227 122 I HN 0.245 nan 8.210 nan 0.000 0.456 123 P HA 0.127 nan 4.420 nan 0.000 0.267 123 P C -0.881 176.432 177.300 0.022 0.000 1.205 123 P CA -0.105 63.006 63.100 0.018 0.000 0.765 123 P CB 0.419 32.120 31.700 0.001 0.000 0.828 124 E N 2.884 123.099 120.200 0.025 0.000 2.392 124 E HA 0.145 4.368 4.350 -0.212 0.000 0.256 124 E C -0.413 176.194 176.600 0.012 0.000 1.145 124 E CA -0.773 55.646 56.400 0.031 0.000 0.929 124 E CB 0.591 30.315 29.700 0.041 0.000 0.998 124 E HN 0.270 nan 8.360 nan 0.000 0.442 125 R N 0.901 121.413 120.500 0.020 0.000 2.698 125 R HA 0.009 4.222 4.340 -0.212 0.000 0.266 125 R C 1.218 177.519 176.300 0.001 0.000 1.026 125 R CA 0.138 56.242 56.100 0.008 0.000 1.102 125 R CB 0.176 30.503 30.300 0.046 0.000 0.978 125 R HN 0.592 nan 8.270 nan 0.000 0.436 126 I N 1.453 122.014 120.570 -0.016 0.000 2.226 126 I HA -0.193 3.850 4.170 -0.212 0.000 0.245 126 I C 0.867 176.981 176.117 -0.006 0.000 1.100 126 I CA 1.131 62.425 61.300 -0.009 0.000 1.374 126 I CB -0.288 37.710 38.000 -0.003 0.000 1.057 126 I HN 0.349 nan 8.210 nan 0.000 0.413 127 V N -3.559 116.360 119.914 0.008 0.000 3.040 127 V HA 0.470 4.463 4.120 -0.212 0.000 0.312 127 V C -0.030 176.037 176.094 -0.045 0.000 1.115 127 V CA -0.931 61.327 62.300 -0.070 0.000 0.998 127 V CB 1.581 33.383 31.823 -0.035 0.000 1.042 127 V HN 0.363 nan 8.190 nan 0.000 0.433 128 H N 0.548 119.674 119.070 0.093 0.000 2.862 128 H HA -0.195 4.229 4.556 -0.219 0.000 0.290 128 H C 1.423 176.793 175.328 0.069 0.000 1.211 128 H CA 0.899 56.996 56.048 0.082 0.000 1.140 128 H CB -1.439 28.361 29.762 0.063 0.000 1.341 128 H HN 1.203 nan 8.280 nan 0.000 0.392 129 A N 0.475 123.349 122.820 0.090 0.000 2.015 129 A HA -0.059 4.134 4.320 -0.212 0.000 0.219 129 A C 1.751 179.416 177.584 0.135 0.000 1.163 129 A CA 1.117 53.211 52.037 0.096 0.000 0.646 129 A CB -0.002 19.031 19.000 0.055 0.000 0.806 129 A HN 0.222 nan 8.150 nan 0.000 0.448 130 R N 0.465 121.052 120.500 0.146 0.000 2.205 130 R HA 0.503 4.716 4.340 -0.212 0.000 0.342 130 R C -0.100 176.335 176.300 0.224 0.000 1.058 130 R CA 0.650 56.859 56.100 0.182 0.000 0.904 130 R CB -0.045 30.349 30.300 0.157 0.000 1.089 130 R HN 0.298 nan 8.270 nan 0.000 0.471 131 G N 0.675 109.628 108.800 0.256 0.000 2.692 131 G HA2 0.547 4.380 3.960 -0.212 0.000 0.291 131 G HA3 0.547 4.380 3.960 -0.212 0.000 0.291 131 G C -1.567 173.500 174.900 0.279 0.000 1.423 131 G CA -0.591 44.631 45.100 0.203 0.000 0.843 131 G HN 0.452 nan 8.290 nan 0.000 0.486 132 S N -1.106 114.705 115.700 0.184 0.000 2.547 132 S HA 0.875 5.218 4.470 -0.212 0.000 0.281 132 S C -0.269 174.360 174.600 0.049 0.000 1.118 132 S CA -0.189 58.178 58.200 0.279 0.000 0.947 132 S CB 1.741 65.215 63.200 0.456 0.000 1.053 132 S HN 1.561 nan 8.310 nan 0.000 0.482 133 A N 1.548 124.362 122.820 -0.010 0.000 2.515 133 A HA 1.018 5.211 4.320 -0.212 0.000 0.296 133 A C -0.941 176.467 177.584 -0.293 0.000 1.094 133 A CA -0.709 51.106 52.037 -0.370 0.000 0.718 133 A CB 1.610 20.256 19.000 -0.589 0.000 1.307 133 A HN 1.291 nan 8.150 nan 0.000 0.408 134 A N 0.669 123.175 122.820 -0.523 0.000 2.587 134 A HA 0.761 4.954 4.320 -0.212 0.000 0.293 134 A C -1.063 176.356 177.584 -0.276 0.000 1.087 134 A CA -0.625 51.261 52.037 -0.253 0.000 0.692 134 A CB 0.855 19.789 19.000 -0.111 0.000 1.291 134 A HN 0.876 nan 8.150 nan 0.000 0.407 135 H N -0.407 118.706 119.070 0.071 0.000 2.482 135 H HA 0.682 5.111 4.556 -0.210 0.000 0.344 135 H C 0.573 175.907 175.328 0.010 0.000 1.151 135 H CA 0.882 57.021 56.048 0.152 0.000 1.300 135 H CB 1.872 31.713 29.762 0.132 0.000 1.494 135 H HN 1.107 nan 8.280 nan 0.000 0.542 136 G N 0.716 109.624 108.800 0.179 0.000 2.578 136 G HA2 0.371 4.204 3.960 -0.212 0.000 0.302 136 G HA3 0.371 4.204 3.960 -0.212 0.000 0.302 136 G C -2.048 172.997 174.900 0.242 0.000 1.243 136 G CA -0.623 44.544 45.100 0.112 0.000 0.843 136 G HN 0.602 nan 8.290 nan 0.000 0.486 137 Y N -1.709 118.625 120.300 0.057 0.000 2.597 137 Y HA 0.832 5.254 4.550 -0.212 0.000 0.340 137 Y C -1.820 174.213 175.900 0.222 0.000 1.097 137 Y CA -2.238 55.940 58.100 0.131 0.000 1.037 137 Y CB 1.707 40.221 38.460 0.089 0.000 1.305 137 Y HN 0.775 nan 8.280 nan 0.000 0.463 138 F N 2.104 122.180 119.950 0.211 0.000 2.546 138 F HA 0.744 5.145 4.527 -0.209 0.000 0.320 138 F C -1.148 174.844 175.800 0.320 0.000 1.076 138 F CA -0.637 57.495 58.000 0.220 0.000 0.928 138 F CB 2.318 41.569 39.000 0.418 0.000 1.189 138 F HN 0.769 nan 8.300 nan 0.000 0.465 139 Q N 6.040 125.313 119.800 -0.878 0.000 2.309 139 Q HA 0.442 4.655 4.340 -0.212 0.000 0.273 139 Q C -2.777 172.652 176.000 -0.952 0.000 1.040 139 Q CA -2.424 53.020 55.803 -0.599 0.000 0.834 139 Q CB 3.066 31.738 28.738 -0.111 0.000 1.345 139 Q HN 0.329 nan 8.270 nan 0.000 0.414 140 P HA 0.059 nan 4.420 nan 0.000 0.277 140 P C -0.441 176.783 177.300 -0.127 0.000 1.240 140 P CA -0.038 62.857 63.100 -0.341 0.000 0.798 140 P CB 0.552 32.200 31.700 -0.086 0.000 0.979 141 Y N 0.516 120.760 120.300 -0.093 0.000 2.475 141 Y HA 0.052 4.475 4.550 -0.211 0.000 0.289 141 Y C 1.358 177.234 175.900 -0.040 0.000 1.121 141 Y CA 0.744 58.811 58.100 -0.056 0.000 1.257 141 Y CB -0.269 38.166 38.460 -0.042 0.000 1.026 141 Y HN 0.392 nan 8.280 nan 0.000 0.555 142 K N -2.073 118.391 120.400 0.107 0.000 2.579 142 K HA 0.442 4.635 4.320 -0.212 0.000 0.284 142 K C -0.734 175.874 176.600 0.014 0.000 0.990 142 K CA -0.841 55.477 56.287 0.053 0.000 0.880 142 K CB 1.559 34.090 32.500 0.052 0.000 1.488 142 K HN -0.257 nan 8.250 nan 0.000 0.425 143 S N 1.196 116.901 115.700 0.007 0.000 2.516 143 S HA 0.169 4.511 4.470 -0.212 0.000 0.282 143 S C 0.409 175.000 174.600 -0.016 0.000 1.286 143 S CA -0.678 57.517 58.200 -0.008 0.000 1.066 143 S CB -0.206 62.993 63.200 -0.002 0.000 0.884 143 S HN 0.547 nan 8.310 nan 0.000 0.491 144 L N 4.982 126.185 121.223 -0.033 0.000 2.783 144 L HA 0.132 4.345 4.340 -0.212 0.000 0.236 144 L C 2.045 178.899 176.870 -0.027 0.000 1.225 144 L CA -0.106 54.720 54.840 -0.023 0.000 1.026 144 L CB -0.374 41.677 42.059 -0.014 0.000 1.314 144 L HN 0.833 nan 8.230 nan 0.000 0.489 145 S N -1.668 114.015 115.700 -0.028 0.000 2.440 145 S HA -0.197 4.146 4.470 -0.212 0.000 0.238 145 S C 1.295 175.878 174.600 -0.027 0.000 1.010 145 S CA 1.175 59.357 58.200 -0.030 0.000 0.972 145 S CB -0.171 63.016 63.200 -0.022 0.000 0.774 145 S HN 0.415 nan 8.310 nan 0.000 0.501 146 D N 2.002 122.391 120.400 -0.019 0.000 2.219 146 D HA 0.034 4.547 4.640 -0.212 0.000 0.205 146 D C 1.818 178.102 176.300 -0.027 0.000 0.970 146 D CA 1.329 55.317 54.000 -0.019 0.000 0.851 146 D CB -0.183 40.611 40.800 -0.010 0.000 0.943 146 D HN 0.795 nan 8.370 nan 0.000 0.488 147 I N -3.911 116.644 120.570 -0.025 0.000 4.187 147 I HA 0.222 4.265 4.170 -0.212 0.000 0.326 147 I C 0.473 176.551 176.117 -0.066 0.000 1.302 147 I CA 0.009 61.286 61.300 -0.039 0.000 1.196 147 I CB 1.056 39.052 38.000 -0.007 0.000 1.095 147 I HN -0.246 nan 8.210 nan 0.000 0.411 148 T N 1.534 116.051 114.554 -0.062 0.000 2.982 148 T HA 0.303 4.526 4.350 -0.212 0.000 0.321 148 T C -0.131 174.517 174.700 -0.087 0.000 1.229 148 T CA -0.712 61.332 62.100 -0.093 0.000 1.044 148 T CB 1.793 70.595 68.868 -0.109 0.000 1.184 148 T HN 0.424 nan 8.240 nan 0.000 0.477 149 K N 2.454 122.801 120.400 -0.088 0.000 2.437 149 K HA 0.584 4.777 4.320 -0.212 0.000 0.198 149 K C 0.725 177.285 176.600 -0.065 0.000 1.024 149 K CA -0.323 55.924 56.287 -0.067 0.000 1.148 149 K CB 0.234 32.700 32.500 -0.056 0.000 0.860 149 K HN 0.517 nan 8.250 nan 0.000 0.515 150 A N 2.063 124.821 122.820 -0.103 0.000 2.545 150 A HA -0.067 4.126 4.320 -0.212 0.000 0.253 150 A C 0.549 178.097 177.584 -0.060 0.000 1.074 150 A CA 0.155 52.139 52.037 -0.088 0.000 0.760 150 A CB 0.045 18.927 19.000 -0.198 0.000 1.005 150 A HN 0.486 nan 8.150 nan 0.000 0.506 151 D N 2.160 122.595 120.400 0.059 0.000 2.117 151 D HA -0.219 4.293 4.640 -0.212 0.000 0.197 151 D C 1.400 177.782 176.300 0.137 0.000 0.987 151 D CA 2.215 56.267 54.000 0.088 0.000 0.829 151 D CB -0.226 40.646 40.800 0.119 0.000 0.961 151 D HN 0.738 nan 8.370 nan 0.000 0.460 152 F N -0.200 119.780 119.950 0.050 0.000 2.408 152 F HA 0.069 4.470 4.527 -0.211 0.000 0.300 152 F C 1.070 176.969 175.800 0.166 0.000 1.090 152 F CA 0.682 58.755 58.000 0.123 0.000 1.427 152 F CB -0.421 38.654 39.000 0.124 0.000 1.070 152 F HN -0.011 nan 8.300 nan 0.000 0.549 153 L N 0.629 121.602 121.223 -0.416 0.000 2.769 153 L HA 0.200 4.413 4.340 -0.212 0.000 0.240 153 L C 1.889 178.679 176.870 -0.135 0.000 1.163 153 L CA 0.443 55.068 54.840 -0.357 0.000 0.962 153 L CB -0.213 41.522 42.059 -0.540 0.000 1.258 153 L HN 0.317 nan 8.230 nan 0.000 0.513 154 S N -2.146 113.518 115.700 -0.059 0.000 2.486 154 S HA 0.036 4.379 4.470 -0.212 0.000 0.220 154 S C 0.396 174.998 174.600 0.002 0.000 1.011 154 S CA -0.024 58.162 58.200 -0.024 0.000 0.921 154 S CB 0.133 63.334 63.200 0.001 0.000 0.785 154 S HN 0.396 nan 8.310 nan 0.000 0.517 155 D N 0.427 120.839 120.400 0.021 0.000 2.927 155 D HA 0.380 4.893 4.640 -0.212 0.000 0.219 155 D C -2.712 173.609 176.300 0.035 0.000 1.248 155 D CA -1.908 52.109 54.000 0.029 0.000 0.861 155 D CB 1.915 42.737 40.800 0.037 0.000 1.677 155 D HN -0.197 nan 8.370 nan 0.000 0.511 156 P HA -0.010 nan 4.420 nan 0.000 0.222 156 P C 0.308 177.633 177.300 0.041 0.000 1.147 156 P CA 0.926 64.046 63.100 0.034 0.000 0.790 156 P CB 0.106 31.835 31.700 0.047 0.000 0.780 157 N N -0.791 117.935 118.700 0.045 0.000 2.398 157 N HA 0.021 4.633 4.740 -0.212 0.000 0.188 157 N C 0.282 175.830 175.510 0.062 0.000 1.122 157 N CA -0.027 53.051 53.050 0.048 0.000 0.866 157 N CB 0.005 38.514 38.487 0.038 0.000 0.970 157 N HN 0.105 nan 8.380 nan 0.000 0.462 158 K N 1.661 122.108 120.400 0.080 0.000 2.284 158 K HA 0.252 4.445 4.320 -0.212 0.000 0.287 158 K C -0.544 176.152 176.600 0.160 0.000 1.081 158 K CA -0.023 56.334 56.287 0.118 0.000 0.910 158 K CB 1.215 33.799 32.500 0.140 0.000 1.088 158 K HN 0.067 nan 8.250 nan 0.000 0.478 159 I N 2.586 123.253 120.570 0.162 0.000 2.331 159 I HA 0.107 4.150 4.170 -0.212 0.000 0.292 159 I C 0.118 176.402 176.117 0.278 0.000 0.998 159 I CA -0.307 61.122 61.300 0.214 0.000 1.267 159 I CB 1.607 39.684 38.000 0.129 0.000 1.386 159 I HN 0.386 nan 8.210 nan 0.000 0.476 160 T N 7.514 122.314 114.554 0.410 0.000 2.772 160 T HA 0.342 4.564 4.350 -0.212 0.000 0.288 160 T C -2.463 172.489 174.700 0.420 0.000 0.994 160 T CA -1.419 60.943 62.100 0.437 0.000 0.951 160 T CB 1.338 70.567 68.868 0.601 0.000 0.933 160 T HN 0.244 nan 8.240 nan 0.000 0.447 161 P HA 0.249 nan 4.420 nan 0.000 0.269 161 P C -0.581 176.953 177.300 0.390 0.000 1.209 161 P CA -0.417 62.869 63.100 0.309 0.000 0.776 161 P CB 0.529 32.331 31.700 0.170 0.000 0.876 162 V N -0.162 119.929 119.914 0.295 0.000 3.102 162 V HA 0.747 4.740 4.120 -0.212 0.000 0.312 162 V C -1.352 174.906 176.094 0.272 0.000 1.135 162 V CA -0.940 61.447 62.300 0.146 0.000 1.022 162 V CB 2.275 33.962 31.823 -0.226 0.000 1.056 162 V HN 0.320 nan 8.190 nan 0.000 0.436 163 F N 1.997 121.936 119.950 -0.018 0.000 2.579 163 F HA 0.821 5.219 4.527 -0.215 0.000 0.325 163 F C -0.909 174.799 175.800 -0.154 0.000 1.162 163 F CA -0.858 57.081 58.000 -0.102 0.000 0.946 163 F CB 1.858 40.811 39.000 -0.079 0.000 1.211 163 F HN 0.513 nan 8.300 nan 0.000 0.447 164 V N 6.737 126.204 119.914 -0.745 0.000 2.459 164 V HA 0.570 4.563 4.120 -0.212 0.000 0.295 164 V C -0.565 174.882 176.094 -1.078 0.000 1.029 164 V CA -0.805 60.984 62.300 -0.852 0.000 0.874 164 V CB 1.883 33.137 31.823 -0.948 0.000 0.985 164 V HN 0.716 nan 8.190 nan 0.000 0.438 165 R N 3.792 123.675 120.500 -1.028 0.000 2.439 165 R HA 0.588 4.801 4.340 -0.212 0.000 0.310 165 R C -1.654 174.054 176.300 -0.986 0.000 0.955 165 R CA -0.440 55.156 56.100 -0.841 0.000 0.853 165 R CB 1.035 31.065 30.300 -0.449 0.000 1.171 165 R HN 0.512 nan 8.270 nan 0.000 0.449 166 F N 1.829 121.379 119.950 -0.667 0.000 2.399 166 F HA 0.522 4.923 4.527 -0.210 0.000 0.328 166 F C 0.561 176.018 175.800 -0.571 0.000 1.084 166 F CA -0.111 57.373 58.000 -0.860 0.000 1.053 166 F CB 2.046 40.024 39.000 -1.705 0.000 1.209 166 F HN 0.604 nan 8.300 nan 0.000 0.502 167 S N -1.190 114.419 115.700 -0.152 0.000 2.615 167 S HA 0.649 4.992 4.470 -0.212 0.000 0.269 167 S C -0.559 174.216 174.600 0.293 0.000 1.161 167 S CA -0.820 57.448 58.200 0.113 0.000 0.817 167 S CB 1.231 64.508 63.200 0.129 0.000 1.131 167 S HN 0.749 nan 8.310 nan 0.000 0.467 168 T N -1.834 112.923 114.554 0.338 0.000 2.793 168 T HA 0.509 4.732 4.350 -0.212 0.000 0.299 168 T C 0.743 175.640 174.700 0.328 0.000 1.038 168 T CA -0.025 62.269 62.100 0.323 0.000 0.948 168 T CB 0.445 69.458 68.868 0.242 0.000 1.231 168 T HN 0.798 nan 8.240 nan 0.000 0.538 169 C N -0.881 118.516 119.300 0.163 0.000 3.276 169 C HA 0.323 4.656 4.460 -0.212 0.000 0.512 169 C C 2.535 177.400 174.990 -0.209 0.000 1.376 169 C CA -0.129 58.769 59.018 -0.201 0.000 2.319 169 C CB -0.061 27.734 27.740 0.091 0.000 3.330 169 C HN 0.969 nan 8.230 nan 0.000 0.596 170 Q N 1.622 121.384 119.800 -0.063 0.000 2.134 170 Q HA 0.126 4.339 4.340 -0.212 0.000 0.195 170 Q C 1.140 177.101 176.000 -0.065 0.000 0.958 170 Q CA 1.272 57.024 55.803 -0.085 0.000 0.840 170 Q CB -0.408 28.278 28.738 -0.087 0.000 0.918 170 Q HN 0.589 nan 8.270 nan 0.000 0.467 171 G N 0.076 108.862 108.800 -0.022 0.000 2.636 171 G HA2 0.378 4.211 3.960 -0.212 0.000 0.246 171 G HA3 0.378 4.211 3.960 -0.212 0.000 0.246 171 G C 0.191 175.088 174.900 -0.005 0.000 1.216 171 G CA 0.084 45.175 45.100 -0.015 0.000 0.854 171 G HN 0.339 nan 8.290 nan 0.000 0.572 172 G N -1.200 107.594 108.800 -0.010 0.000 2.653 172 G HA2 0.477 4.310 3.960 -0.212 0.000 0.265 172 G HA3 0.477 4.310 3.960 -0.212 0.000 0.265 172 G C 1.350 176.272 174.900 0.036 0.000 1.237 172 G CA 0.469 45.571 45.100 0.004 0.000 0.946 172 G HN 1.058 nan 8.290 nan 0.000 0.522 173 A N -0.768 122.083 122.820 0.052 0.000 1.972 173 A HA 0.092 4.285 4.320 -0.212 0.000 0.219 173 A C 2.328 179.948 177.584 0.061 0.000 1.169 173 A CA 2.101 54.191 52.037 0.088 0.000 0.635 173 A CB -0.569 18.497 19.000 0.109 0.000 0.810 173 A HN 1.096 nan 8.150 nan 0.000 0.446 174 G N -0.311 108.505 108.800 0.027 0.000 3.088 174 G HA2 0.288 4.121 3.960 -0.212 0.000 0.212 174 G HA3 0.288 4.121 3.960 -0.212 0.000 0.212 174 G C 0.834 175.735 174.900 0.001 0.000 1.173 174 G CA 0.723 45.826 45.100 0.004 0.000 0.779 174 G HN 0.711 nan 8.290 nan 0.000 0.540 175 S N -0.188 115.521 115.700 0.014 0.000 2.661 175 S HA 0.726 5.068 4.470 -0.212 0.000 0.265 175 S C 0.432 175.046 174.600 0.023 0.000 1.225 175 S CA -0.064 58.142 58.200 0.009 0.000 0.986 175 S CB 1.493 64.699 63.200 0.010 0.000 1.008 175 S HN 0.541 nan 8.310 nan 0.000 0.565 176 A N 0.168 122.998 122.820 0.017 0.000 2.322 176 A HA 0.430 4.623 4.320 -0.212 0.000 0.269 176 A C 0.579 178.185 177.584 0.037 0.000 1.094 176 A CA -0.579 51.466 52.037 0.012 0.000 0.807 176 A CB -0.055 18.935 19.000 -0.017 0.000 1.047 176 A HN 0.866 nan 8.150 nan 0.000 0.487 177 D N 0.507 120.914 120.400 0.013 0.000 2.137 177 D HA -0.057 4.456 4.640 -0.212 0.000 0.202 177 D C 1.521 177.782 176.300 -0.065 0.000 0.970 177 D CA 2.185 56.198 54.000 0.021 0.000 0.837 177 D CB -0.174 40.577 40.800 -0.081 0.000 0.981 177 D HN 0.671 nan 8.370 nan 0.000 0.475 178 T N -0.053 114.390 114.554 -0.186 0.000 3.327 178 T HA 0.304 4.526 4.350 -0.212 0.000 0.241 178 T C 0.830 175.529 174.700 -0.002 0.000 0.907 178 T CA -0.584 61.419 62.100 -0.161 0.000 0.931 178 T CB -0.939 67.767 68.868 -0.270 0.000 1.112 178 T HN -0.098 nan 8.240 nan 0.000 0.589 179 V N -1.274 118.692 119.914 0.085 0.000 3.441 179 V HA 0.462 4.454 4.120 -0.212 0.000 0.300 179 V C 0.703 176.957 176.094 0.267 0.000 1.091 179 V CA -1.456 60.946 62.300 0.169 0.000 1.099 179 V CB 0.471 32.380 31.823 0.142 0.000 1.138 179 V HN 0.585 nan 8.190 nan 0.000 0.471 180 R N 1.284 121.982 120.500 0.330 0.000 2.202 180 R HA 0.523 4.736 4.340 -0.212 0.000 0.334 180 R C -1.077 175.310 176.300 0.145 0.000 1.036 180 R CA -0.120 56.121 56.100 0.235 0.000 0.878 180 R CB 0.434 30.778 30.300 0.073 0.000 1.067 180 R HN 1.076 nan 8.270 nan 0.000 0.457 181 D N 3.243 123.748 120.400 0.175 0.000 2.764 181 D HA 0.182 4.695 4.640 -0.212 0.000 0.293 181 D C -0.723 175.718 176.300 0.236 0.000 1.287 181 D CA -0.623 53.479 54.000 0.170 0.000 0.768 181 D CB 1.118 42.011 40.800 0.156 0.000 1.288 181 D HN 0.235 nan 8.370 nan 0.000 0.426 182 I N 1.139 121.879 120.570 0.283 0.000 2.823 182 I HA 0.301 4.344 4.170 -0.212 0.000 0.290 182 I C 0.824 177.139 176.117 0.330 0.000 1.091 182 I CA -0.127 61.354 61.300 0.302 0.000 1.365 182 I CB 0.154 38.372 38.000 0.362 0.000 1.427 182 I HN 0.288 nan 8.210 nan 0.000 0.583 183 R N 2.241 122.929 120.500 0.313 0.000 2.664 183 R HA 0.569 4.782 4.340 -0.212 0.000 0.286 183 R C -0.107 176.328 176.300 0.224 0.000 0.967 183 R CA -0.770 55.516 56.100 0.310 0.000 0.933 183 R CB 1.493 31.982 30.300 0.315 0.000 1.146 183 R HN 0.805 nan 8.270 nan 0.000 0.468 184 G N 0.909 109.763 108.800 0.091 0.000 2.420 184 G HA2 0.480 4.313 3.960 -0.212 0.000 0.284 184 G HA3 0.480 4.313 3.960 -0.212 0.000 0.284 184 G C -1.282 173.576 174.900 -0.070 0.000 1.177 184 G CA -0.040 44.950 45.100 -0.184 0.000 0.841 184 G HN 0.344 nan 8.290 nan 0.000 0.527 185 F N 1.842 121.606 119.950 -0.309 0.000 3.034 185 F HA 0.639 5.037 4.527 -0.215 0.000 0.371 185 F C -0.284 175.199 175.800 -0.529 0.000 1.233 185 F CA -1.828 55.923 58.000 -0.415 0.000 1.134 185 F CB 1.062 39.948 39.000 -0.191 0.000 1.495 185 F HN 0.675 nan 8.300 nan 0.000 0.563 186 A N 3.386 125.920 122.820 -0.478 0.000 2.331 186 A HA 0.807 5.000 4.320 -0.212 0.000 0.320 186 A C -0.675 176.439 177.584 -0.784 0.000 1.138 186 A CA -0.472 51.110 52.037 -0.759 0.000 0.790 186 A CB 1.001 19.157 19.000 -1.408 0.000 1.206 186 A HN 0.535 nan 8.150 nan 0.000 0.470 187 T N 2.236 116.488 114.554 -0.504 0.000 2.841 187 T HA 0.403 4.626 4.350 -0.212 0.000 0.285 187 T C -0.428 174.098 174.700 -0.290 0.000 0.991 187 T CA -0.480 61.355 62.100 -0.441 0.000 0.966 187 T CB 1.089 69.664 68.868 -0.489 0.000 0.962 187 T HN 0.635 nan 8.240 nan 0.000 0.438 188 K N 3.543 123.863 120.400 -0.133 0.000 2.263 188 K HA 0.458 4.651 4.320 -0.212 0.000 0.272 188 K C -1.278 175.045 176.600 -0.462 0.000 1.033 188 K CA -0.606 55.538 56.287 -0.237 0.000 0.884 188 K CB 0.387 32.696 32.500 -0.318 0.000 1.107 188 K HN 0.391 nan 8.250 nan 0.000 0.460 189 F N 4.326 124.003 119.950 -0.456 0.000 2.391 189 F HA 0.233 4.631 4.527 -0.215 0.000 0.359 189 F C -0.392 175.220 175.800 -0.313 0.000 1.122 189 F CA -0.603 57.189 58.000 -0.347 0.000 1.120 189 F CB 0.617 39.318 39.000 -0.498 0.000 1.142 189 F HN 0.434 nan 8.300 nan 0.000 0.483 190 Y N 1.823 122.183 120.300 0.099 0.000 2.632 190 Y HA 0.216 4.640 4.550 -0.210 0.000 0.336 190 Y C 1.063 177.017 175.900 0.090 0.000 1.237 190 Y CA -0.887 57.253 58.100 0.067 0.000 1.595 190 Y CB -0.353 38.137 38.460 0.051 0.000 1.508 190 Y HN 0.547 nan 8.280 nan 0.000 0.480 191 T N -2.356 112.291 114.554 0.155 0.000 2.847 191 T HA 0.172 4.395 4.350 -0.212 0.000 0.279 191 T C 0.962 175.752 174.700 0.151 0.000 0.984 191 T CA -0.730 61.465 62.100 0.157 0.000 0.988 191 T CB 1.069 70.003 68.868 0.110 0.000 1.040 191 T HN 0.648 nan 8.240 nan 0.000 0.528 192 E N 0.022 120.317 120.200 0.157 0.000 2.478 192 E HA -0.028 4.195 4.350 -0.212 0.000 0.198 192 E C 0.831 177.495 176.600 0.106 0.000 1.046 192 E CA 0.625 57.099 56.400 0.124 0.000 0.870 192 E CB 0.116 29.886 29.700 0.116 0.000 0.818 192 E HN 0.723 nan 8.360 nan 0.000 0.527 193 E N 0.216 120.480 120.200 0.107 0.000 2.789 193 E HA 0.275 4.498 4.350 -0.212 0.000 0.208 193 E C 0.013 176.655 176.600 0.070 0.000 0.988 193 E CA -0.283 56.171 56.400 0.089 0.000 1.092 193 E CB 1.318 31.073 29.700 0.092 0.000 1.066 193 E HN 0.184 nan 8.360 nan 0.000 0.465 194 G N 1.184 110.020 108.800 0.059 0.000 2.459 194 G HA2 -0.119 3.714 3.960 -0.212 0.000 0.685 194 G HA3 -0.119 3.714 3.960 -0.212 0.000 0.685 194 G C -0.834 174.065 174.900 -0.002 0.000 1.303 194 G CA -1.115 43.993 45.100 0.015 0.000 0.907 194 G HN 0.044 nan 8.290 nan 0.000 0.632 195 I N 0.804 121.332 120.570 -0.069 0.000 2.556 195 I HA 0.381 4.424 4.170 -0.212 0.000 0.284 195 I C 0.123 176.229 176.117 -0.019 0.000 1.114 195 I CA 0.044 61.278 61.300 -0.110 0.000 1.418 195 I CB 0.794 38.656 38.000 -0.230 0.000 1.394 195 I HN 0.474 nan 8.210 nan 0.000 0.552 196 F N 6.866 126.700 119.950 -0.194 0.000 2.449 196 F HA 0.459 4.858 4.527 -0.213 0.000 0.342 196 F C -0.617 175.143 175.800 -0.067 0.000 1.127 196 F CA -1.242 56.640 58.000 -0.196 0.000 0.975 196 F CB 0.833 39.571 39.000 -0.436 0.000 1.146 196 F HN 0.346 nan 8.300 nan 0.000 0.444 197 D N 6.498 126.715 120.400 -0.305 0.000 2.256 197 D HA 0.285 4.798 4.640 -0.212 0.000 0.240 197 D C -1.066 174.804 176.300 -0.717 0.000 1.062 197 D CA -0.125 53.654 54.000 -0.367 0.000 0.832 197 D CB 2.313 43.102 40.800 -0.019 0.000 1.135 197 D HN 0.529 nan 8.370 nan 0.000 0.484 198 L N 3.627 124.411 121.223 -0.731 0.000 2.301 198 L HA 0.279 4.492 4.340 -0.212 0.000 0.278 198 L C -1.120 175.532 176.870 -0.364 0.000 1.022 198 L CA -0.642 53.809 54.840 -0.649 0.000 0.854 198 L CB 1.188 42.832 42.059 -0.691 0.000 1.226 198 L HN 0.084 nan 8.230 nan 0.000 0.429 199 V N 5.894 125.643 119.914 -0.274 0.000 2.247 199 V HA 0.663 4.656 4.120 -0.212 0.000 0.262 199 V C 0.903 176.899 176.094 -0.163 0.000 1.096 199 V CA -0.010 62.141 62.300 -0.248 0.000 0.895 199 V CB 0.112 31.790 31.823 -0.241 0.000 1.141 199 V HN 0.841 nan 8.190 nan 0.000 0.478 200 G N 3.100 111.796 108.800 -0.172 0.000 2.667 200 G HA2 0.627 4.460 3.960 -0.212 0.000 0.310 200 G HA3 0.627 4.460 3.960 -0.212 0.000 0.310 200 G C -0.741 174.123 174.900 -0.060 0.000 1.259 200 G CA -0.603 44.434 45.100 -0.105 0.000 1.019 200 G HN 0.477 nan 8.290 nan 0.000 0.496 201 N N -0.961 117.753 118.700 0.022 0.000 2.890 201 N HA 0.239 4.852 4.740 -0.212 0.000 0.317 201 N C 0.626 176.280 175.510 0.240 0.000 1.355 201 N CA -0.775 52.340 53.050 0.108 0.000 0.803 201 N CB 1.219 39.769 38.487 0.104 0.000 1.465 201 N HN 0.532 nan 8.380 nan 0.000 0.591 202 N N -1.389 117.484 118.700 0.287 0.000 2.322 202 N HA -0.020 4.593 4.740 -0.212 0.000 0.194 202 N C -0.420 175.340 175.510 0.415 0.000 1.126 202 N CA -0.015 53.272 53.050 0.396 0.000 0.845 202 N CB -0.154 38.549 38.487 0.360 0.000 0.976 202 N HN 0.539 nan 8.380 nan 0.000 0.475 203 T N -3.227 111.378 114.554 0.086 0.000 2.893 203 T HA 0.434 4.657 4.350 -0.212 0.000 0.291 203 T C -2.519 171.531 174.700 -1.083 0.000 1.028 203 T CA -1.718 60.022 62.100 -0.600 0.000 0.995 203 T CB 3.054 71.536 68.868 -0.643 0.000 1.051 203 T HN -0.240 nan 8.240 nan 0.000 0.470 204 P HA 0.164 nan 4.420 nan 0.000 0.245 204 P C 0.441 177.200 177.300 -0.901 0.000 1.212 204 P CA 0.139 62.291 63.100 -1.581 0.000 0.774 204 P CB -0.104 30.586 31.700 -1.683 0.000 0.999 205 I N -4.914 115.112 120.570 -0.908 0.000 3.174 205 I HA 0.550 4.593 4.170 -0.212 0.000 0.313 205 I C -1.146 174.682 176.117 -0.483 0.000 1.155 205 I CA -1.780 59.141 61.300 -0.633 0.000 0.977 205 I CB 1.279 38.865 38.000 -0.690 0.000 1.248 205 I HN -0.290 nan 8.210 nan 0.000 0.453 206 F N 0.971 120.635 119.950 -0.477 0.000 2.572 206 F HA 0.555 4.960 4.527 -0.204 0.000 0.342 206 F C 0.544 176.083 175.800 -0.435 0.000 1.064 206 F CA -0.932 56.818 58.000 -0.417 0.000 1.008 206 F CB 1.283 40.166 39.000 -0.196 0.000 1.303 206 F HN 0.381 nan 8.300 nan 0.000 0.492 207 F N 1.710 120.880 119.950 -1.301 0.000 2.186 207 F HA 0.034 4.432 4.527 -0.216 0.000 0.299 207 F C 0.785 176.299 175.800 -0.478 0.000 1.090 207 F CA 1.175 58.610 58.000 -0.942 0.000 1.307 207 F CB -0.383 37.598 39.000 -1.698 0.000 1.019 207 F HN 0.163 nan 8.300 nan 0.000 0.489 208 I N -3.253 117.279 120.570 -0.063 0.000 2.846 208 I HA 0.375 4.418 4.170 -0.212 0.000 0.307 208 I C 0.461 176.713 176.117 0.225 0.000 1.053 208 I CA -0.801 60.578 61.300 0.132 0.000 1.050 208 I CB 1.894 40.029 38.000 0.225 0.000 1.239 208 I HN -0.140 nan 8.210 nan 0.000 0.439 209 Q N 0.493 120.428 119.800 0.225 0.000 2.297 209 Q HA 0.124 4.337 4.340 -0.212 0.000 0.203 209 Q C -0.263 175.906 176.000 0.282 0.000 0.931 209 Q CA 0.709 56.689 55.803 0.294 0.000 0.885 209 Q CB 0.401 29.385 28.738 0.409 0.000 0.991 209 Q HN 0.660 nan 8.270 nan 0.000 0.498 210 D N -1.120 119.416 120.400 0.228 0.000 2.505 210 D HA 0.307 4.820 4.640 -0.212 0.000 0.249 210 D C -0.003 176.418 176.300 0.203 0.000 1.082 210 D CA -0.240 53.866 54.000 0.177 0.000 0.839 210 D CB 1.818 42.696 40.800 0.129 0.000 1.317 210 D HN 0.035 nan 8.370 nan 0.000 0.497 211 A N 3.417 126.331 122.820 0.156 0.000 2.024 211 A HA -0.244 3.949 4.320 -0.212 0.000 0.220 211 A C 1.781 179.474 177.584 0.182 0.000 1.164 211 A CA 1.661 53.785 52.037 0.144 0.000 0.643 211 A CB -0.763 18.267 19.000 0.050 0.000 0.806 211 A HN 0.812 nan 8.150 nan 0.000 0.451 212 H N 0.234 119.362 119.070 0.096 0.000 2.426 212 H HA -0.072 4.361 4.556 -0.204 0.000 0.298 212 H C 1.609 177.011 175.328 0.124 0.000 1.107 212 H CA 2.047 58.146 56.048 0.085 0.000 1.298 212 H CB 0.071 29.862 29.762 0.048 0.000 1.377 212 H HN 0.423 nan 8.280 nan 0.000 0.519 213 K N -0.657 119.860 120.400 0.196 0.000 2.444 213 K HA -0.054 4.138 4.320 -0.212 0.000 0.193 213 K C 1.481 178.210 176.600 0.215 0.000 1.024 213 K CA 0.046 56.451 56.287 0.197 0.000 1.077 213 K CB 0.022 32.694 32.500 0.287 0.000 0.833 213 K HN 0.239 nan 8.250 nan 0.000 0.517 214 F N 3.117 123.114 119.950 0.078 0.000 2.065 214 F HA -0.155 4.234 4.527 -0.231 0.000 0.298 214 F C -1.028 174.777 175.800 0.009 0.000 1.112 214 F CA 1.293 59.358 58.000 0.108 0.000 1.212 214 F CB -0.917 38.130 39.000 0.080 0.000 0.975 214 F HN 0.014 nan 8.300 nan 0.000 0.476 215 P HA -0.144 nan 4.420 nan 0.000 0.218 215 P C 1.153 178.136 177.300 -0.528 0.000 1.148 215 P CA 1.904 64.782 63.100 -0.369 0.000 0.822 215 P CB -0.091 31.409 31.700 -0.334 0.000 0.784 216 D N -1.346 118.886 120.400 -0.279 0.000 2.097 216 D HA -0.139 4.374 4.640 -0.212 0.000 0.197 216 D C 1.805 177.825 176.300 -0.466 0.000 0.984 216 D CA 0.978 54.852 54.000 -0.209 0.000 0.826 216 D CB -0.817 40.046 40.800 0.105 0.000 0.973 216 D HN 0.129 nan 8.370 nan 0.000 0.460 217 F N 2.120 121.653 119.950 -0.695 0.000 2.095 217 F HA -0.215 4.179 4.527 -0.222 0.000 0.298 217 F C 2.237 177.637 175.800 -0.667 0.000 1.104 217 F CA 1.116 58.498 58.000 -1.030 0.000 1.232 217 F CB -0.370 38.269 39.000 -0.602 0.000 0.987 217 F HN -0.255 nan 8.300 nan 0.000 0.475 218 V N 0.177 119.701 119.914 -0.649 0.000 2.358 218 V HA -0.314 3.679 4.120 -0.212 0.000 0.246 218 V C 2.346 178.228 176.094 -0.352 0.000 1.047 218 V CA 2.348 64.302 62.300 -0.577 0.000 1.035 218 V CB -1.012 30.466 31.823 -0.575 0.000 0.658 218 V HN 0.466 nan 8.190 nan 0.000 0.452 219 H N -0.154 118.686 119.070 -0.384 0.000 2.387 219 H HA -0.144 4.285 4.556 -0.212 0.000 0.299 219 H C 2.326 177.492 175.328 -0.270 0.000 1.099 219 H CA 1.110 57.006 56.048 -0.253 0.000 1.315 219 H CB 0.041 29.707 29.762 -0.159 0.000 1.380 219 H HN 0.487 nan 8.280 nan 0.000 0.513 220 A N 0.413 123.044 122.820 -0.316 0.000 1.969 220 A HA -0.097 4.096 4.320 -0.212 0.000 0.218 220 A C 2.486 179.908 177.584 -0.269 0.000 1.169 220 A CA 1.276 53.133 52.037 -0.299 0.000 0.635 220 A CB -0.596 18.102 19.000 -0.503 0.000 0.810 220 A HN 0.301 nan 8.150 nan 0.000 0.445 221 V N -0.282 119.347 119.914 -0.475 0.000 2.788 221 V HA 0.009 4.002 4.120 -0.212 0.000 0.251 221 V C 1.006 177.049 176.094 -0.084 0.000 1.068 221 V CA 0.772 62.860 62.300 -0.353 0.000 1.090 221 V CB -0.423 30.991 31.823 -0.682 0.000 0.710 221 V HN 0.359 nan 8.190 nan 0.000 0.467 222 K N 0.931 121.254 120.400 -0.129 0.000 2.132 222 K HA 0.226 4.419 4.320 -0.212 0.000 0.240 222 K C -2.283 174.254 176.600 -0.106 0.000 1.036 222 K CA -1.554 54.670 56.287 -0.104 0.000 0.888 222 K CB -0.374 32.048 32.500 -0.129 0.000 1.071 222 K HN 0.148 nan 8.250 nan 0.000 0.502 223 P HA -0.035 nan 4.420 nan 0.000 0.264 223 P C -0.562 176.644 177.300 -0.158 0.000 1.183 223 P CA 0.487 63.427 63.100 -0.268 0.000 0.763 223 P CB 0.324 31.882 31.700 -0.237 0.000 0.807 224 E N 5.399 125.536 120.200 -0.105 0.000 2.398 224 E HA -0.020 4.203 4.350 -0.212 0.000 0.263 224 E C -1.253 175.391 176.600 0.072 0.000 1.046 224 E CA -1.236 55.223 56.400 0.099 0.000 0.908 224 E CB 0.137 30.031 29.700 0.324 0.000 0.963 224 E HN 0.435 nan 8.360 nan 0.000 0.431 225 P HA -0.191 nan 4.420 nan 0.000 0.220 225 P C 1.117 178.471 177.300 0.090 0.000 1.152 225 P CA 1.347 64.473 63.100 0.044 0.000 0.812 225 P CB 0.029 31.732 31.700 0.005 0.000 0.792 226 H N -0.384 118.724 119.070 0.064 0.000 2.321 226 H HA -0.107 4.321 4.556 -0.213 0.000 0.300 226 H C 1.416 176.845 175.328 0.168 0.000 1.087 226 H CA 1.632 57.709 56.048 0.047 0.000 1.319 226 H CB -1.331 28.391 29.762 -0.068 0.000 1.379 226 H HN 0.317 nan 8.280 nan 0.000 0.501 227 W N -0.238 120.703 121.300 -0.598 0.000 2.714 227 W HA 0.703 5.234 4.660 -0.214 0.000 0.353 227 W C 0.387 176.735 176.519 -0.285 0.000 0.999 227 W CA -1.301 55.813 57.345 -0.385 0.000 1.629 227 W CB -0.769 28.443 29.460 -0.414 0.000 1.106 227 W HN 0.432 nan 8.180 nan 0.000 0.545 228 A N 1.537 124.289 122.820 -0.113 0.000 2.416 228 A HA -0.107 4.086 4.320 -0.212 0.000 0.293 228 A C -0.456 176.866 177.584 -0.437 0.000 1.452 228 A CA 1.476 53.381 52.037 -0.221 0.000 0.738 228 A CB -2.337 16.570 19.000 -0.155 0.000 1.123 228 A HN 0.485 nan 8.150 nan 0.000 0.389 229 I N 1.046 121.203 120.570 -0.688 0.000 2.802 229 I HA 0.564 4.607 4.170 -0.212 0.000 0.298 229 I C -2.525 173.249 176.117 -0.572 0.000 1.176 229 I CA -2.310 58.512 61.300 -0.797 0.000 1.025 229 I CB 3.083 40.160 38.000 -1.539 0.000 1.243 229 I HN 0.257 nan 8.210 nan 0.000 0.424 230 P HA 0.331 nan 4.420 nan 0.000 0.292 230 P C -1.645 175.498 177.300 -0.261 0.000 1.308 230 P CA -0.864 62.019 63.100 -0.362 0.000 0.933 230 P CB 1.633 33.208 31.700 -0.209 0.000 1.217 231 Q N 0.569 120.257 119.800 -0.187 0.000 2.267 231 Q HA 0.487 4.700 4.340 -0.212 0.000 0.255 231 Q C 1.092 177.054 176.000 -0.062 0.000 0.923 231 Q CA 0.976 56.705 55.803 -0.124 0.000 0.925 231 Q CB -0.308 28.366 28.738 -0.108 0.000 1.195 231 Q HN 0.818 nan 8.270 nan 0.000 0.417 232 G N 3.083 111.856 108.800 -0.046 0.000 2.179 232 G HA2 -0.298 3.535 3.960 -0.212 0.000 0.257 232 G HA3 -0.298 3.535 3.960 -0.212 0.000 0.257 232 G C -0.327 174.589 174.900 0.027 0.000 1.010 232 G CA 0.611 45.711 45.100 0.000 0.000 0.736 232 G HN 0.548 nan 8.290 nan 0.000 0.513 233 Q N -1.023 118.782 119.800 0.009 0.000 2.359 233 Q HA 0.576 4.789 4.340 -0.212 0.000 0.274 233 Q C 0.835 176.840 176.000 0.008 0.000 1.074 233 Q CA -0.125 55.709 55.803 0.051 0.000 0.810 233 Q CB 1.812 30.622 28.738 0.120 0.000 1.342 233 Q HN 0.433 nan 8.270 nan 0.000 0.427 234 S N -0.575 115.028 115.700 -0.162 0.000 2.575 234 S HA 0.193 4.536 4.470 -0.212 0.000 0.215 234 S C 0.876 175.383 174.600 -0.154 0.000 0.966 234 S CA -0.017 57.850 58.200 -0.555 0.000 0.911 234 S CB 0.335 62.746 63.200 -1.314 0.000 0.780 234 S HN 0.586 nan 8.310 nan 0.000 0.514 235 A N 2.246 125.182 122.820 0.193 0.000 3.077 235 A HA 0.509 4.702 4.320 -0.212 0.000 0.255 235 A C 0.138 177.947 177.584 0.375 0.000 1.728 235 A CA -0.564 51.680 52.037 0.345 0.000 1.383 235 A CB -1.258 17.912 19.000 0.282 0.000 1.097 235 A HN 0.901 nan 8.150 nan 0.000 0.634 236 H N -4.010 115.245 119.070 0.309 0.000 3.017 236 H HA 0.537 4.965 4.556 -0.214 0.000 0.346 236 H C -0.227 175.290 175.328 0.315 0.000 1.286 236 H CA -0.716 55.482 56.048 0.249 0.000 1.120 236 H CB 0.317 30.184 29.762 0.174 0.000 1.860 236 H HN 0.046 nan 8.280 nan 0.000 0.542 237 D N 0.107 120.681 120.400 0.290 0.000 2.133 237 D HA -0.198 4.315 4.640 -0.212 0.000 0.195 237 D C 2.068 178.435 176.300 0.112 0.000 0.997 237 D CA 3.031 57.140 54.000 0.182 0.000 0.840 237 D CB -0.282 40.602 40.800 0.140 0.000 0.947 237 D HN 0.785 nan 8.370 nan 0.000 0.452 238 T N -1.728 112.892 114.554 0.111 0.000 2.821 238 T HA -0.167 4.056 4.350 -0.212 0.000 0.267 238 T C 1.899 176.541 174.700 -0.098 0.000 1.046 238 T CA 0.523 62.652 62.100 0.049 0.000 1.139 238 T CB -0.698 68.252 68.868 0.137 0.000 0.871 238 T HN 0.140 nan 8.240 nan 0.000 0.454 239 F N 0.943 120.581 119.950 -0.520 0.000 2.075 239 F HA 0.046 4.444 4.527 -0.216 0.000 0.297 239 F C 1.872 177.392 175.800 -0.467 0.000 1.113 239 F CA 0.853 58.462 58.000 -0.652 0.000 1.218 239 F CB -0.648 37.770 39.000 -0.971 0.000 0.984 239 F HN 0.156 nan 8.300 nan 0.000 0.472 240 W N 0.594 121.818 121.300 -0.127 0.000 2.425 240 W HA -0.112 4.425 4.660 -0.206 0.000 0.277 240 W C 2.322 178.762 176.519 -0.132 0.000 1.231 240 W CA 1.060 58.322 57.345 -0.138 0.000 1.248 240 W CB -0.640 28.821 29.460 0.002 0.000 1.117 240 W HN 0.090 nan 8.180 nan 0.000 0.568 241 D N -0.640 119.799 120.400 0.065 0.000 2.084 241 D HA -0.295 4.218 4.640 -0.212 0.000 0.194 241 D C 1.897 178.200 176.300 0.006 0.000 0.990 241 D CA 1.521 55.546 54.000 0.042 0.000 0.826 241 D CB -0.595 40.238 40.800 0.056 0.000 0.971 241 D HN 0.174 nan 8.370 nan 0.000 0.453 242 Y N 0.345 120.542 120.300 -0.172 0.000 2.128 242 Y HA -0.216 4.209 4.550 -0.209 0.000 0.284 242 Y C 2.300 178.072 175.900 -0.212 0.000 1.154 242 Y CA 1.581 59.566 58.100 -0.191 0.000 1.149 242 Y CB -0.417 37.871 38.460 -0.287 0.000 0.976 242 Y HN -0.096 nan 8.280 nan 0.000 0.505 243 V N -0.034 119.772 119.914 -0.180 0.000 2.287 243 V HA -0.344 3.649 4.120 -0.212 0.000 0.248 243 V C 2.620 178.669 176.094 -0.075 0.000 1.053 243 V CA 2.216 64.404 62.300 -0.187 0.000 1.027 243 V CB -1.248 30.360 31.823 -0.358 0.000 0.646 243 V HN 0.661 nan 8.190 nan 0.000 0.447 244 S N -0.084 115.617 115.700 0.003 0.000 2.419 244 S HA -0.147 4.196 4.470 -0.212 0.000 0.235 244 S C 1.731 176.305 174.600 -0.042 0.000 1.019 244 S CA 1.711 59.930 58.200 0.031 0.000 0.982 244 S CB -0.531 62.713 63.200 0.073 0.000 0.789 244 S HN 0.560 nan 8.310 nan 0.000 0.490 245 L N -0.138 121.011 121.223 -0.122 0.000 2.585 245 L HA 0.326 4.539 4.340 -0.212 0.000 0.226 245 L C 0.566 177.277 176.870 -0.265 0.000 1.113 245 L CA 0.128 54.869 54.840 -0.165 0.000 0.876 245 L CB 0.062 42.021 42.059 -0.167 0.000 1.072 245 L HN 0.250 nan 8.230 nan 0.000 0.468 246 Q N 0.032 119.633 119.800 -0.331 0.000 3.090 246 Q HA 0.234 4.447 4.340 -0.212 0.000 0.241 246 Q C -1.964 173.824 176.000 -0.352 0.000 0.958 246 Q CA -1.460 54.103 55.803 -0.399 0.000 0.715 246 Q CB 1.590 29.978 28.738 -0.583 0.000 1.298 246 Q HN -0.043 nan 8.270 nan 0.000 0.468 247 P HA -0.225 nan 4.420 nan 0.000 0.221 247 P C 1.049 178.053 177.300 -0.493 0.000 1.145 247 P CA 1.167 64.029 63.100 -0.397 0.000 0.795 247 P CB 0.251 31.700 31.700 -0.417 0.000 0.775 248 E N 0.500 120.263 120.200 -0.729 0.000 2.219 248 E HA -0.224 3.999 4.350 -0.212 0.000 0.198 248 E C 1.521 178.060 176.600 -0.102 0.000 0.998 248 E CA 2.008 58.202 56.400 -0.344 0.000 0.818 248 E CB -1.474 28.101 29.700 -0.208 0.000 0.741 248 E HN 0.309 nan 8.360 nan 0.000 0.477 249 T N -0.513 114.001 114.554 -0.067 0.000 3.035 249 T HA -0.005 4.218 4.350 -0.212 0.000 0.268 249 T C 1.988 176.761 174.700 0.122 0.000 1.109 249 T CA 0.565 62.700 62.100 0.059 0.000 1.119 249 T CB -0.360 68.578 68.868 0.117 0.000 0.900 249 T HN 0.158 nan 8.240 nan 0.000 0.503 250 L N 0.069 121.364 121.223 0.121 0.000 2.079 250 L HA -0.130 4.083 4.340 -0.212 0.000 0.210 250 L C 2.847 179.894 176.870 0.296 0.000 1.081 250 L CA 1.977 56.962 54.840 0.241 0.000 0.752 250 L CB -0.798 41.406 42.059 0.242 0.000 0.896 250 L HN 0.494 nan 8.230 nan 0.000 0.433 251 H N 0.083 119.203 119.070 0.083 0.000 2.267 251 H HA -0.229 4.201 4.556 -0.211 0.000 0.297 251 H C 2.198 177.520 175.328 -0.010 0.000 1.080 251 H CA 1.956 58.044 56.048 0.065 0.000 1.278 251 H CB 0.171 29.926 29.762 -0.013 0.000 1.365 251 H HN 0.365 nan 8.280 nan 0.000 0.489 252 N N -0.259 118.265 118.700 -0.294 0.000 2.223 252 N HA -0.134 4.479 4.740 -0.212 0.000 0.185 252 N C 1.941 177.315 175.510 -0.226 0.000 1.016 252 N CA 0.748 53.419 53.050 -0.632 0.000 0.863 252 N CB 0.243 37.851 38.487 -1.465 0.000 0.983 252 N HN 0.117 nan 8.380 nan 0.000 0.429 253 V N 1.538 121.535 119.914 0.138 0.000 2.343 253 V HA -0.241 3.752 4.120 -0.212 0.000 0.247 253 V C 2.452 178.691 176.094 0.242 0.000 1.051 253 V CA 1.218 63.728 62.300 0.351 0.000 1.036 253 V CB -0.342 31.738 31.823 0.428 0.000 0.654 253 V HN 0.413 nan 8.190 nan 0.000 0.451 254 M N -1.660 118.128 119.600 0.313 0.000 2.108 254 M HA -0.218 4.135 4.480 -0.212 0.000 0.261 254 M C 2.063 178.422 176.300 0.098 0.000 1.066 254 M CA 1.906 57.408 55.300 0.337 0.000 1.107 254 M CB -1.186 31.671 32.600 0.428 0.000 1.356 254 M HN 0.472 nan 8.290 nan 0.000 0.406 255 W N 0.491 121.583 121.300 -0.345 0.000 2.355 255 W HA -0.094 4.441 4.660 -0.208 0.000 0.309 255 W C 2.823 179.294 176.519 -0.081 0.000 1.206 255 W CA 1.913 59.018 57.345 -0.400 0.000 1.284 255 W CB -1.068 28.067 29.460 -0.542 0.000 1.145 255 W HN 0.288 nan 8.180 nan 0.000 0.502 256 A N -0.498 122.423 122.820 0.169 0.000 1.940 256 A HA -0.212 3.981 4.320 -0.212 0.000 0.219 256 A C 1.933 179.575 177.584 0.097 0.000 1.176 256 A CA 1.943 54.077 52.037 0.160 0.000 0.631 256 A CB -0.644 18.488 19.000 0.221 0.000 0.814 256 A HN 0.130 nan 8.150 nan 0.000 0.446 257 M N 0.672 120.285 119.600 0.022 0.000 2.492 257 M HA 0.021 4.374 4.480 -0.212 0.000 0.262 257 M C 1.388 177.732 176.300 0.074 0.000 1.090 257 M CA 0.778 56.031 55.300 -0.078 0.000 1.110 257 M CB -1.391 30.902 32.600 -0.511 0.000 1.407 257 M HN 0.546 nan 8.290 nan 0.000 0.470 258 S N 0.358 116.164 115.700 0.177 0.000 2.634 258 S HA 0.091 4.434 4.470 -0.212 0.000 0.261 258 S C 0.695 175.424 174.600 0.215 0.000 1.271 258 S CA -0.480 57.860 58.200 0.233 0.000 0.985 258 S CB 0.979 64.358 63.200 0.299 0.000 0.968 258 S HN 0.177 nan 8.310 nan 0.000 0.568 259 D N 0.343 120.889 120.400 0.245 0.000 2.351 259 D HA -0.024 4.489 4.640 -0.212 0.000 0.216 259 D C 1.892 178.335 176.300 0.239 0.000 0.968 259 D CA 0.431 54.594 54.000 0.272 0.000 0.899 259 D CB -0.171 40.858 40.800 0.381 0.000 0.907 259 D HN 0.386 nan 8.370 nan 0.000 0.514 260 R N 0.266 120.897 120.500 0.218 0.000 2.105 260 R HA -0.080 4.132 4.340 -0.212 0.000 0.239 260 R C 2.147 178.606 176.300 0.264 0.000 1.135 260 R CA 1.179 57.433 56.100 0.256 0.000 0.967 260 R CB -0.979 29.523 30.300 0.338 0.000 0.861 260 R HN 0.221 nan 8.270 nan 0.000 0.442 261 G N 1.243 110.187 108.800 0.240 0.000 2.679 261 G HA2 -0.039 3.794 3.960 -0.212 0.000 0.212 261 G HA3 -0.039 3.794 3.960 -0.212 0.000 0.212 261 G C 0.987 176.036 174.900 0.250 0.000 1.137 261 G CA 0.170 45.408 45.100 0.230 0.000 0.787 261 G HN 0.427 nan 8.290 nan 0.000 0.534 262 I N -1.960 118.767 120.570 0.261 0.000 2.862 262 I HA 0.359 4.402 4.170 -0.212 0.000 0.285 262 I C -2.803 173.477 176.117 0.271 0.000 1.339 262 I CA -2.675 58.791 61.300 0.275 0.000 1.002 262 I CB 1.706 39.875 38.000 0.282 0.000 1.618 262 I HN -0.267 nan 8.210 nan 0.000 0.593 263 P HA 0.042 nan 4.420 nan 0.000 0.269 263 P C 0.496 177.923 177.300 0.212 0.000 1.215 263 P CA -0.103 63.105 63.100 0.180 0.000 0.780 263 P CB 1.192 32.937 31.700 0.074 0.000 0.898 264 R N 1.639 122.237 120.500 0.163 0.000 2.090 264 R HA 0.042 4.255 4.340 -0.212 0.000 0.228 264 R C 0.476 176.870 176.300 0.158 0.000 1.110 264 R CA 1.444 57.687 56.100 0.239 0.000 0.973 264 R CB -0.316 30.100 30.300 0.193 0.000 0.869 264 R HN 0.591 nan 8.270 nan 0.000 0.440 265 S N -2.851 112.737 115.700 -0.186 0.000 2.578 265 S HA 0.184 4.526 4.470 -0.212 0.000 0.272 265 S C -0.342 173.936 174.600 -0.538 0.000 1.145 265 S CA -0.871 57.034 58.200 -0.491 0.000 0.835 265 S CB -0.022 63.052 63.200 -0.210 0.000 1.104 265 S HN 0.083 nan 8.310 nan 0.000 0.458 266 Y N 1.871 121.797 120.300 -0.624 0.000 2.403 266 Y HA 0.114 4.538 4.550 -0.210 0.000 0.291 266 Y C 2.415 177.972 175.900 -0.572 0.000 1.143 266 Y CA 1.022 58.638 58.100 -0.807 0.000 1.257 266 Y CB -0.397 37.190 38.460 -1.455 0.000 0.984 266 Y HN 0.574 nan 8.280 nan 0.000 0.550 267 R N -0.559 119.797 120.500 -0.239 0.000 2.189 267 R HA -0.052 4.161 4.340 -0.212 0.000 0.223 267 R C 1.111 177.349 176.300 -0.103 0.000 1.092 267 R CA 1.552 57.555 56.100 -0.162 0.000 0.989 267 R CB -0.356 29.851 30.300 -0.155 0.000 0.876 267 R HN 0.326 nan 8.270 nan 0.000 0.457 268 T N -1.859 112.656 114.554 -0.064 0.000 3.308 268 T HA 0.350 4.573 4.350 -0.212 0.000 0.270 268 T C 0.175 174.910 174.700 0.058 0.000 0.992 268 T CA -0.668 61.427 62.100 -0.007 0.000 0.931 268 T CB -0.083 68.768 68.868 -0.028 0.000 1.142 268 T HN 0.069 nan 8.240 nan 0.000 0.525 269 M N -1.126 118.554 119.600 0.133 0.000 2.644 269 M HA 0.745 5.098 4.480 -0.212 0.000 0.304 269 M C -1.097 175.390 176.300 0.311 0.000 1.215 269 M CA -0.885 54.539 55.300 0.206 0.000 0.871 269 M CB 2.159 34.877 32.600 0.197 0.000 1.740 269 M HN -0.137 nan 8.290 nan 0.000 0.464 270 E N 0.200 120.586 120.200 0.312 0.000 2.312 270 E HA 0.698 4.921 4.350 -0.212 0.000 0.259 270 E C -0.388 176.324 176.600 0.186 0.000 1.122 270 E CA -0.619 55.911 56.400 0.217 0.000 0.922 270 E CB 1.697 31.447 29.700 0.083 0.000 1.109 270 E HN 0.866 nan 8.360 nan 0.000 0.442 271 G N 0.597 109.300 108.800 -0.162 0.000 2.638 271 G HA2 0.606 4.439 3.960 -0.212 0.000 0.302 271 G HA3 0.606 4.439 3.960 -0.212 0.000 0.302 271 G C -1.572 172.898 174.900 -0.717 0.000 1.365 271 G CA -0.483 44.483 45.100 -0.224 0.000 0.987 271 G HN 0.268 nan 8.290 nan 0.000 0.495 272 F N -0.003 119.854 119.950 -0.156 0.000 2.588 272 F HA 0.530 4.928 4.527 -0.214 0.000 0.310 272 F C 1.206 176.881 175.800 -0.209 0.000 1.082 272 F CA -0.416 57.424 58.000 -0.267 0.000 0.929 272 F CB 2.614 41.420 39.000 -0.322 0.000 1.254 272 F HN 0.599 nan 8.300 nan 0.000 0.455 273 G N 0.800 109.622 108.800 0.037 0.000 2.511 273 G HA2 0.064 3.897 3.960 -0.212 0.000 0.217 273 G HA3 0.064 3.897 3.960 -0.212 0.000 0.217 273 G C 1.208 176.142 174.900 0.057 0.000 1.133 273 G CA 1.002 46.187 45.100 0.141 0.000 0.792 273 G HN 0.792 nan 8.290 nan 0.000 0.539 274 I N -1.222 119.316 120.570 -0.053 0.000 4.724 274 I HA -0.312 3.731 4.170 -0.212 0.000 0.043 274 I C 0.475 176.462 176.117 -0.216 0.000 0.628 274 I CA 1.505 62.653 61.300 -0.255 0.000 0.705 274 I CB -1.264 36.479 38.000 -0.429 0.000 0.661 274 I HN 0.260 nan 8.210 nan 0.000 0.155 275 H N 2.445 121.532 119.070 0.028 0.000 2.690 275 H HA 0.232 4.660 4.556 -0.214 0.000 0.365 275 H C 0.080 175.350 175.328 -0.097 0.000 1.142 275 H CA 0.516 56.495 56.048 -0.115 0.000 1.417 275 H CB 0.290 29.836 29.762 -0.360 0.000 1.446 275 H HN 0.212 nan 8.280 nan 0.000 0.599 276 T N 3.746 118.272 114.554 -0.047 0.000 2.814 276 T HA 0.217 4.439 4.350 -0.212 0.000 0.297 276 T C 0.215 174.847 174.700 -0.113 0.000 0.956 276 T CA 0.067 62.125 62.100 -0.069 0.000 1.123 276 T CB -0.146 68.623 68.868 -0.165 0.000 0.902 276 T HN 0.228 nan 8.240 nan 0.000 0.528 277 F N 1.340 121.263 119.950 -0.046 0.000 2.629 277 F HA 0.664 5.061 4.527 -0.216 0.000 0.386 277 F C 0.972 176.743 175.800 -0.049 0.000 1.135 277 F CA -1.268 56.734 58.000 0.004 0.000 1.116 277 F CB 1.360 40.366 39.000 0.011 0.000 1.426 277 F HN 0.210 nan 8.300 nan 0.000 0.501 278 R N 0.511 121.089 120.500 0.131 0.000 2.686 278 R HA 0.656 4.869 4.340 -0.212 0.000 0.286 278 R C -1.642 174.561 176.300 -0.163 0.000 0.969 278 R CA -0.856 55.191 56.100 -0.089 0.000 0.898 278 R CB 2.017 32.204 30.300 -0.188 0.000 1.183 278 R HN 0.434 nan 8.270 nan 0.000 0.456 279 L N 3.490 124.565 121.223 -0.245 0.000 2.322 279 L HA 0.546 4.759 4.340 -0.212 0.000 0.279 279 L C -0.521 176.201 176.870 -0.248 0.000 1.036 279 L CA -0.951 53.748 54.840 -0.235 0.000 0.807 279 L CB 1.349 43.268 42.059 -0.234 0.000 1.226 279 L HN 0.360 nan 8.230 nan 0.000 0.433 280 I N 2.621 123.066 120.570 -0.209 0.000 2.447 280 I HA 0.288 4.331 4.170 -0.212 0.000 0.287 280 I C -0.310 175.721 176.117 -0.143 0.000 1.023 280 I CA -0.730 60.450 61.300 -0.200 0.000 1.083 280 I CB 1.385 39.273 38.000 -0.187 0.000 1.245 280 I HN 0.626 nan 8.210 nan 0.000 0.434 281 N N 4.814 123.442 118.700 -0.120 0.000 2.538 281 N HA 0.443 5.056 4.740 -0.212 0.000 0.292 281 N C 0.813 176.282 175.510 -0.069 0.000 1.262 281 N CA -0.405 52.593 53.050 -0.086 0.000 0.976 281 N CB 0.540 38.984 38.487 -0.071 0.000 1.161 281 N HN 0.492 nan 8.380 nan 0.000 0.598 282 A N -0.648 122.140 122.820 -0.052 0.000 2.015 282 A HA -0.094 4.099 4.320 -0.212 0.000 0.219 282 A C 1.498 179.060 177.584 -0.035 0.000 1.163 282 A CA 1.262 53.273 52.037 -0.042 0.000 0.646 282 A CB -0.761 18.220 19.000 -0.031 0.000 0.806 282 A HN 0.741 nan 8.150 nan 0.000 0.448 283 E N -1.398 118.782 120.200 -0.033 0.000 2.482 283 E HA 0.259 4.482 4.350 -0.212 0.000 0.196 283 E C 1.269 177.858 176.600 -0.019 0.000 1.047 283 E CA 0.817 57.202 56.400 -0.025 0.000 0.869 283 E CB -0.107 29.579 29.700 -0.023 0.000 0.836 283 E HN 0.748 nan 8.360 nan 0.000 0.520 284 G N 1.151 109.937 108.800 -0.024 0.000 2.157 284 G HA2 -0.342 3.491 3.960 -0.212 0.000 0.239 284 G HA3 -0.342 3.491 3.960 -0.212 0.000 0.239 284 G C 0.236 175.152 174.900 0.027 0.000 0.982 284 G CA 0.230 45.334 45.100 0.007 0.000 0.650 284 G HN 0.287 nan 8.290 nan 0.000 0.527 285 K N 0.702 121.080 120.400 -0.037 0.000 2.298 285 K HA 0.683 4.876 4.320 -0.212 0.000 0.280 285 K C 0.467 176.935 176.600 -0.220 0.000 1.032 285 K CA 0.153 56.392 56.287 -0.080 0.000 0.958 285 K CB 0.744 33.197 32.500 -0.078 0.000 0.978 285 K HN 0.655 nan 8.250 nan 0.000 0.472 286 A N 3.527 126.106 122.820 -0.402 0.000 2.292 286 A HA 0.408 4.601 4.320 -0.212 0.000 0.319 286 A C -0.798 176.467 177.584 -0.530 0.000 1.206 286 A CA -0.584 51.055 52.037 -0.663 0.000 0.835 286 A CB 1.036 19.208 19.000 -1.381 0.000 1.164 286 A HN 0.755 nan 8.150 nan 0.000 0.505 287 T N 2.468 116.758 114.554 -0.440 0.000 2.824 287 T HA 0.550 4.773 4.350 -0.212 0.000 0.282 287 T C -0.607 173.896 174.700 -0.329 0.000 0.993 287 T CA -0.087 61.810 62.100 -0.339 0.000 0.967 287 T CB 0.496 69.253 68.868 -0.184 0.000 0.960 287 T HN 0.336 nan 8.240 nan 0.000 0.441 288 F N 2.006 121.861 119.950 -0.159 0.000 2.429 288 F HA 0.559 4.958 4.527 -0.213 0.000 0.348 288 F C 0.543 176.225 175.800 -0.197 0.000 1.109 288 F CA -0.513 57.389 58.000 -0.164 0.000 1.232 288 F CB 0.787 39.709 39.000 -0.129 0.000 1.157 288 F HN 0.216 nan 8.300 nan 0.000 0.564 289 V N 4.443 124.316 119.914 -0.067 0.000 2.925 289 V HA 0.628 4.621 4.120 -0.212 0.000 0.311 289 V C -1.065 174.812 176.094 -0.361 0.000 1.104 289 V CA -0.807 61.306 62.300 -0.312 0.000 0.954 289 V CB 2.251 33.660 31.823 -0.689 0.000 1.022 289 V HN 0.777 nan 8.190 nan 0.000 0.427 290 R N 4.458 124.777 120.500 -0.303 0.000 2.534 290 R HA 0.544 4.757 4.340 -0.212 0.000 0.301 290 R C -1.698 174.492 176.300 -0.184 0.000 0.961 290 R CA -0.426 55.548 56.100 -0.210 0.000 0.871 290 R CB 1.998 32.292 30.300 -0.011 0.000 1.170 290 R HN 0.604 nan 8.270 nan 0.000 0.446 291 F N 2.409 122.372 119.950 0.022 0.000 2.394 291 F HA 0.365 4.764 4.527 -0.214 0.000 0.340 291 F C 1.025 176.720 175.800 -0.176 0.000 1.105 291 F CA -0.094 57.877 58.000 -0.047 0.000 1.124 291 F CB 0.856 39.717 39.000 -0.232 0.000 1.145 291 F HN 0.215 nan 8.300 nan 0.000 0.505 292 H N 0.935 119.978 119.070 -0.045 0.000 2.821 292 H HA 0.288 4.718 4.556 -0.210 0.000 0.373 292 H C -1.530 173.568 175.328 -0.383 0.000 1.165 292 H CA -1.028 54.885 56.048 -0.227 0.000 1.154 292 H CB 2.133 31.855 29.762 -0.067 0.000 1.765 292 H HN 0.684 nan 8.280 nan 0.000 0.549 293 W N 2.084 123.260 121.300 -0.206 0.000 2.619 293 W HA 0.294 4.825 4.660 -0.216 0.000 0.327 293 W C -0.251 176.298 176.519 0.050 0.000 1.027 293 W CA -0.748 56.536 57.345 -0.101 0.000 1.233 293 W CB 1.845 31.056 29.460 -0.414 0.000 1.370 293 W HN 0.250 nan 8.180 nan 0.000 0.453 294 K N 5.925 126.595 120.400 0.450 0.000 2.213 294 K HA 0.375 4.568 4.320 -0.212 0.000 0.270 294 K C -2.367 174.449 176.600 0.361 0.000 1.002 294 K CA -1.839 54.645 56.287 0.329 0.000 0.868 294 K CB 1.471 34.115 32.500 0.241 0.000 1.093 294 K HN 0.050 nan 8.250 nan 0.000 0.454 295 P HA 0.047 nan 4.420 nan 0.000 0.276 295 P C 0.352 177.653 177.300 0.003 0.000 1.253 295 P CA -0.067 63.076 63.100 0.072 0.000 0.766 295 P CB 0.794 32.555 31.700 0.102 0.000 0.845 296 L N 2.935 124.108 121.223 -0.083 0.000 2.376 296 L HA -0.070 4.143 4.340 -0.212 0.000 0.219 296 L C 2.327 179.177 176.870 -0.034 0.000 1.133 296 L CA 1.069 55.897 54.840 -0.020 0.000 0.816 296 L CB -0.596 41.462 42.059 -0.001 0.000 0.933 296 L HN 0.344 nan 8.230 nan 0.000 0.449 297 A N 0.038 122.811 122.820 -0.079 0.000 2.206 297 A HA 0.373 4.566 4.320 -0.212 0.000 0.211 297 A C 1.265 178.844 177.584 -0.007 0.000 1.158 297 A CA 0.775 52.783 52.037 -0.048 0.000 0.761 297 A CB -0.400 18.555 19.000 -0.076 0.000 0.801 297 A HN 0.456 nan 8.150 nan 0.000 0.473 298 G N -0.804 108.004 108.800 0.013 0.000 2.707 298 G HA2 -0.102 3.731 3.960 -0.212 0.000 0.686 298 G HA3 -0.102 3.731 3.960 -0.212 0.000 0.686 298 G C -0.682 174.243 174.900 0.042 0.000 1.315 298 G CA -0.466 44.661 45.100 0.045 0.000 0.832 298 G HN 0.445 nan 8.290 nan 0.000 0.573 299 K N 0.125 120.556 120.400 0.051 0.000 2.205 299 K HA 0.690 4.882 4.320 -0.212 0.000 0.279 299 K C 0.262 176.847 176.600 -0.025 0.000 1.027 299 K CA 0.312 56.611 56.287 0.019 0.000 0.932 299 K CB 1.627 34.129 32.500 0.003 0.000 1.032 299 K HN 1.570 nan 8.250 nan 0.000 0.466 300 A N 1.736 124.526 122.820 -0.049 0.000 2.532 300 A HA 0.489 4.682 4.320 -0.212 0.000 0.296 300 A C -1.166 176.442 177.584 0.039 0.000 1.058 300 A CA -0.706 51.256 52.037 -0.125 0.000 0.729 300 A CB 1.576 20.303 19.000 -0.455 0.000 1.285 300 A HN 0.497 nan 8.150 nan 0.000 0.396 301 S N 0.927 116.791 115.700 0.274 0.000 2.599 301 S HA 0.765 5.108 4.470 -0.212 0.000 0.294 301 S C 0.106 175.009 174.600 0.505 0.000 1.094 301 S CA -0.603 57.813 58.200 0.360 0.000 0.931 301 S CB 1.229 64.640 63.200 0.351 0.000 1.093 301 S HN 0.645 nan 8.310 nan 0.000 0.488 302 L N 1.269 122.694 121.223 0.337 0.000 2.540 302 L HA 0.508 4.721 4.340 -0.212 0.000 0.215 302 L C -0.047 176.944 176.870 0.201 0.000 1.204 302 L CA -0.732 54.243 54.840 0.224 0.000 0.841 302 L CB 0.134 42.242 42.059 0.082 0.000 1.420 302 L HN 0.476 nan 8.230 nan 0.000 0.519 303 V N -3.170 116.760 119.914 0.026 0.000 2.667 303 V HA 0.155 4.147 4.120 -0.212 0.000 0.308 303 V C 0.657 176.699 176.094 -0.088 0.000 1.048 303 V CA -0.846 61.434 62.300 -0.033 0.000 0.928 303 V CB 1.504 33.274 31.823 -0.088 0.000 1.004 303 V HN 0.916 nan 8.190 nan 0.000 0.444 304 W N 2.441 123.614 121.300 -0.210 0.000 2.321 304 W HA -0.253 4.279 4.660 -0.213 0.000 0.306 304 W C 1.690 178.062 176.519 -0.245 0.000 1.217 304 W CA 2.625 59.842 57.345 -0.214 0.000 1.257 304 W CB -0.035 29.288 29.460 -0.230 0.000 1.145 304 W HN 1.009 nan 8.180 nan 0.000 0.509 305 D N 0.139 120.259 120.400 -0.467 0.000 2.104 305 D HA -0.287 4.226 4.640 -0.212 0.000 0.194 305 D C 2.143 178.070 176.300 -0.622 0.000 0.994 305 D CA 2.216 55.910 54.000 -0.510 0.000 0.830 305 D CB -0.509 40.240 40.800 -0.084 0.000 0.959 305 D HN 0.352 nan 8.370 nan 0.000 0.452 306 E N -0.386 119.308 120.200 -0.843 0.000 2.038 306 E HA -0.254 3.969 4.350 -0.212 0.000 0.195 306 E C 2.009 178.264 176.600 -0.574 0.000 1.000 306 E CA 1.247 57.117 56.400 -0.884 0.000 0.803 306 E CB -0.251 28.902 29.700 -0.911 0.000 0.750 306 E HN 0.322 nan 8.360 nan 0.000 0.448 307 A N 0.894 123.400 122.820 -0.523 0.000 1.902 307 A HA -0.264 3.929 4.320 -0.212 0.000 0.217 307 A C 2.161 179.411 177.584 -0.556 0.000 1.181 307 A CA 1.823 53.599 52.037 -0.435 0.000 0.623 307 A CB -0.688 18.174 19.000 -0.230 0.000 0.818 307 A HN 0.445 nan 8.150 nan 0.000 0.443 308 Q N -0.601 118.656 119.800 -0.904 0.000 2.079 308 Q HA -0.195 4.017 4.340 -0.212 0.000 0.200 308 Q C 2.126 177.858 176.000 -0.447 0.000 0.974 308 Q CA 1.923 57.240 55.803 -0.811 0.000 0.840 308 Q CB -0.120 27.922 28.738 -1.161 0.000 0.898 308 Q HN 0.659 nan 8.270 nan 0.000 0.430 309 K N -0.282 119.876 120.400 -0.405 0.000 2.211 309 K HA -0.125 4.068 4.320 -0.212 0.000 0.203 309 K C 1.875 178.333 176.600 -0.236 0.000 1.050 309 K CA 0.514 56.654 56.287 -0.246 0.000 0.945 309 K CB 0.019 32.421 32.500 -0.164 0.000 0.732 309 K HN 0.144 nan 8.250 nan 0.000 0.451 310 L N 1.143 122.180 121.223 -0.310 0.000 2.141 310 L HA -0.116 4.097 4.340 -0.212 0.000 0.209 310 L C 2.207 178.938 176.870 -0.232 0.000 1.094 310 L CA 2.072 56.721 54.840 -0.318 0.000 0.763 310 L CB -0.875 40.900 42.059 -0.474 0.000 0.908 310 L HN 0.420 nan 8.230 nan 0.000 0.437 311 T N -4.522 109.902 114.554 -0.216 0.000 2.833 311 T HA -0.089 4.134 4.350 -0.212 0.000 0.269 311 T C 1.894 176.531 174.700 -0.105 0.000 1.054 311 T CA 1.045 63.060 62.100 -0.142 0.000 1.135 311 T CB -0.931 67.865 68.868 -0.120 0.000 0.869 311 T HN 0.342 nan 8.240 nan 0.000 0.466 312 G N 1.106 109.838 108.800 -0.114 0.000 2.411 312 G HA2 -0.020 3.812 3.960 -0.212 0.000 0.213 312 G HA3 -0.020 3.812 3.960 -0.212 0.000 0.213 312 G C 1.935 176.792 174.900 -0.073 0.000 1.166 312 G CA -0.188 44.862 45.100 -0.083 0.000 0.802 312 G HN 0.318 nan 8.290 nan 0.000 0.533 313 R N 0.136 120.583 120.500 -0.088 0.000 2.093 313 R HA 0.056 4.269 4.340 -0.212 0.000 0.224 313 R C -0.142 176.130 176.300 -0.048 0.000 1.101 313 R CA 0.750 56.810 56.100 -0.066 0.000 0.979 313 R CB -0.110 30.143 30.300 -0.077 0.000 0.877 313 R HN 0.302 nan 8.270 nan 0.000 0.441 314 D N -0.366 119.999 120.400 -0.058 0.000 2.527 314 D HA 0.152 4.665 4.640 -0.212 0.000 0.242 314 D C -2.100 174.199 176.300 -0.001 0.000 1.285 314 D CA -1.814 52.185 54.000 -0.003 0.000 0.886 314 D CB 1.304 42.148 40.800 0.073 0.000 1.402 314 D HN -0.147 nan 8.370 nan 0.000 0.528 315 P HA -0.013 nan 4.420 nan 0.000 0.228 315 P C 0.192 177.496 177.300 0.006 0.000 1.151 315 P CA 0.687 63.774 63.100 -0.021 0.000 0.770 315 P CB 0.499 32.185 31.700 -0.023 0.000 0.786 316 D N -1.606 118.809 120.400 0.025 0.000 2.358 316 D HA 0.050 4.563 4.640 -0.212 0.000 0.224 316 D C 1.262 177.600 176.300 0.063 0.000 1.123 316 D CA -0.361 53.659 54.000 0.033 0.000 0.833 316 D CB -0.514 40.283 40.800 -0.004 0.000 0.946 316 D HN 0.071 nan 8.370 nan 0.000 0.505 317 F N 1.571 121.462 119.950 -0.098 0.000 2.091 317 F HA -0.239 4.161 4.527 -0.213 0.000 0.299 317 F C 2.013 177.795 175.800 -0.030 0.000 1.103 317 F CA 1.907 59.851 58.000 -0.095 0.000 1.228 317 F CB -0.128 38.767 39.000 -0.173 0.000 0.984 317 F HN 0.132 nan 8.300 nan 0.000 0.477 318 H N -1.411 117.554 119.070 -0.176 0.000 2.428 318 H HA -0.043 4.385 4.556 -0.213 0.000 0.296 318 H C 2.386 177.592 175.328 -0.202 0.000 1.062 318 H CA 0.705 56.497 56.048 -0.427 0.000 1.350 318 H CB -0.069 29.279 29.762 -0.690 0.000 1.403 318 H HN 0.183 nan 8.280 nan 0.000 0.533 319 R N 1.241 121.825 120.500 0.140 0.000 2.081 319 R HA -0.115 4.098 4.340 -0.212 0.000 0.235 319 R C 2.418 178.816 176.300 0.164 0.000 1.131 319 R CA 1.144 57.381 56.100 0.228 0.000 0.960 319 R CB 0.013 30.433 30.300 0.199 0.000 0.856 319 R HN 0.194 nan 8.270 nan 0.000 0.436 320 R N 0.287 120.809 120.500 0.037 0.000 2.066 320 R HA -0.182 4.031 4.340 -0.212 0.000 0.232 320 R C 2.085 178.390 176.300 0.008 0.000 1.131 320 R CA 1.973 58.083 56.100 0.015 0.000 0.955 320 R CB -0.154 30.120 30.300 -0.044 0.000 0.851 320 R HN 0.176 nan 8.270 nan 0.000 0.432 321 E N 0.546 120.641 120.200 -0.174 0.000 2.110 321 E HA -0.203 4.020 4.350 -0.212 0.000 0.193 321 E C 1.840 178.406 176.600 -0.057 0.000 0.988 321 E CA 1.158 57.429 56.400 -0.215 0.000 0.804 321 E CB -0.278 29.123 29.700 -0.498 0.000 0.745 321 E HN 0.297 nan 8.360 nan 0.000 0.458 322 L N 0.138 121.370 121.223 0.014 0.000 2.027 322 L HA -0.094 4.119 4.340 -0.212 0.000 0.206 322 L C 2.159 179.127 176.870 0.163 0.000 1.074 322 L CA 2.049 56.946 54.840 0.095 0.000 0.745 322 L CB -1.010 41.170 42.059 0.201 0.000 0.898 322 L HN 0.413 nan 8.230 nan 0.000 0.433 323 W N 0.987 122.320 121.300 0.055 0.000 2.335 323 W HA -0.222 4.310 4.660 -0.214 0.000 0.311 323 W C 2.203 178.753 176.519 0.052 0.000 1.213 323 W CA 2.213 59.605 57.345 0.077 0.000 1.274 323 W CB -0.181 29.328 29.460 0.081 0.000 1.148 323 W HN 0.353 nan 8.180 nan 0.000 0.498 324 E N -0.017 120.362 120.200 0.297 0.000 2.208 324 E HA -0.115 4.108 4.350 -0.212 0.000 0.193 324 E C 2.346 178.980 176.600 0.056 0.000 0.988 324 E CA 0.971 57.468 56.400 0.161 0.000 0.828 324 E CB -0.320 29.430 29.700 0.084 0.000 0.763 324 E HN 0.195 nan 8.360 nan 0.000 0.478 325 A N 1.336 124.185 122.820 0.048 0.000 1.877 325 A HA -0.184 4.008 4.320 -0.212 0.000 0.216 325 A C 2.166 179.785 177.584 0.058 0.000 1.186 325 A CA 1.089 53.148 52.037 0.036 0.000 0.620 325 A CB -0.548 18.471 19.000 0.031 0.000 0.822 325 A HN 0.138 nan 8.150 nan 0.000 0.443 326 I N -0.414 120.209 120.570 0.088 0.000 2.226 326 I HA -0.245 3.798 4.170 -0.212 0.000 0.245 326 I C 2.415 178.616 176.117 0.140 0.000 1.100 326 I CA 1.518 62.929 61.300 0.185 0.000 1.374 326 I CB -0.522 37.503 38.000 0.043 0.000 1.057 326 I HN 0.437 nan 8.210 nan 0.000 0.413 327 E N 0.855 121.075 120.200 0.033 0.000 2.204 327 E HA -0.174 4.049 4.350 -0.212 0.000 0.195 327 E C 2.032 178.655 176.600 0.038 0.000 0.990 327 E CA 1.168 57.597 56.400 0.049 0.000 0.821 327 E CB -0.075 29.679 29.700 0.090 0.000 0.750 327 E HN 0.502 nan 8.360 nan 0.000 0.477 328 A N 0.091 122.911 122.820 0.001 0.000 2.251 328 A HA 0.277 4.469 4.320 -0.212 0.000 0.209 328 A C 1.678 179.211 177.584 -0.085 0.000 1.187 328 A CA 0.772 52.791 52.037 -0.029 0.000 0.823 328 A CB -0.009 18.958 19.000 -0.055 0.000 0.846 328 A HN 0.305 nan 8.150 nan 0.000 0.486 329 G N -0.328 108.345 108.800 -0.212 0.000 2.143 329 G HA2 -0.192 3.641 3.960 -0.212 0.000 0.249 329 G HA3 -0.192 3.641 3.960 -0.212 0.000 0.249 329 G C -0.296 174.148 174.900 -0.761 0.000 0.981 329 G CA 0.225 44.914 45.100 -0.685 0.000 0.665 329 G HN 0.427 nan 8.290 nan 0.000 0.528 330 D N 1.037 121.235 120.400 -0.338 0.000 2.896 330 D HA 0.346 4.859 4.640 -0.212 0.000 0.240 330 D C 0.513 176.774 176.300 -0.065 0.000 1.193 330 D CA -0.275 53.620 54.000 -0.174 0.000 0.983 330 D CB -0.382 40.412 40.800 -0.010 0.000 1.074 330 D HN 0.179 nan 8.370 nan 0.000 0.496 331 F N 1.156 121.108 119.950 0.003 0.000 2.578 331 F HA 0.177 4.577 4.527 -0.212 0.000 0.376 331 F C -1.537 174.234 175.800 -0.050 0.000 1.085 331 F CA -2.648 55.346 58.000 -0.010 0.000 1.260 331 F CB -0.480 38.528 39.000 0.013 0.000 1.095 331 F HN -0.054 nan 8.300 nan 0.000 0.573 332 P HA 0.064 nan 4.420 nan 0.000 0.262 332 P C -0.913 176.316 177.300 -0.119 0.000 1.199 332 P CA 0.319 63.395 63.100 -0.040 0.000 0.763 332 P CB 0.354 32.103 31.700 0.081 0.000 0.790 333 E N 2.576 122.577 120.200 -0.332 0.000 2.248 333 E HA 0.459 4.681 4.350 -0.212 0.000 0.267 333 E C -1.060 175.255 176.600 -0.475 0.000 0.877 333 E CA -0.601 55.665 56.400 -0.222 0.000 0.759 333 E CB 1.478 31.147 29.700 -0.053 0.000 1.182 333 E HN 0.363 nan 8.360 nan 0.000 0.418 334 Y N 0.337 120.682 120.300 0.075 0.000 2.477 334 Y HA 0.273 4.698 4.550 -0.209 0.000 0.347 334 Y C -0.201 175.890 175.900 0.317 0.000 0.981 334 Y CA -0.997 57.210 58.100 0.179 0.000 1.033 334 Y CB 1.968 40.483 38.460 0.091 0.000 1.245 334 Y HN 0.468 nan 8.280 nan 0.000 0.455 335 E N 2.616 123.123 120.200 0.511 0.000 2.156 335 E HA 0.411 4.634 4.350 -0.212 0.000 0.279 335 E C -1.476 175.416 176.600 0.486 0.000 0.965 335 E CA -0.965 55.689 56.400 0.423 0.000 0.789 335 E CB 1.063 30.946 29.700 0.305 0.000 1.098 335 E HN 0.604 nan 8.360 nan 0.000 0.397 336 L N 4.226 125.674 121.223 0.375 0.000 2.380 336 L HA 0.527 4.740 4.340 -0.212 0.000 0.273 336 L C -0.144 176.670 176.870 -0.092 0.000 1.138 336 L CA 0.509 55.313 54.840 -0.061 0.000 0.832 336 L CB 1.069 43.027 42.059 -0.168 0.000 1.124 336 L HN 0.555 nan 8.230 nan 0.000 0.454 337 G N 3.852 112.620 108.800 -0.052 0.000 2.571 337 G HA2 0.615 4.448 3.960 -0.212 0.000 0.304 337 G HA3 0.615 4.448 3.960 -0.212 0.000 0.304 337 G C -1.708 173.347 174.900 0.259 0.000 1.314 337 G CA -0.412 44.694 45.100 0.009 0.000 0.975 337 G HN 0.312 nan 8.290 nan 0.000 0.485 338 F N 0.190 120.143 119.950 0.005 0.000 2.482 338 F HA 0.481 4.882 4.527 -0.211 0.000 0.331 338 F C 0.410 176.191 175.800 -0.033 0.000 1.115 338 F CA -1.482 56.519 58.000 0.001 0.000 0.955 338 F CB 2.300 41.289 39.000 -0.018 0.000 1.136 338 F HN 0.284 nan 8.300 nan 0.000 0.452 339 Q N 3.742 123.631 119.800 0.148 0.000 2.303 339 Q HA 0.532 4.745 4.340 -0.212 0.000 0.257 339 Q C -0.989 175.037 176.000 0.044 0.000 0.941 339 Q CA -0.347 55.500 55.803 0.074 0.000 0.931 339 Q CB 1.887 30.679 28.738 0.090 0.000 1.215 339 Q HN 0.538 nan 8.270 nan 0.000 0.437 340 L N 4.511 125.772 121.223 0.063 0.000 2.296 340 L HA 0.543 4.756 4.340 -0.212 0.000 0.286 340 L C -0.748 176.169 176.870 0.079 0.000 1.023 340 L CA -0.725 54.143 54.840 0.048 0.000 0.812 340 L CB 1.085 43.182 42.059 0.063 0.000 1.223 340 L HN 0.516 nan 8.230 nan 0.000 0.421 341 I N 4.993 125.625 120.570 0.104 0.000 2.447 341 I HA 0.394 4.437 4.170 -0.212 0.000 0.287 341 I C -2.259 173.959 176.117 0.170 0.000 1.023 341 I CA -1.830 59.575 61.300 0.175 0.000 1.083 341 I CB 1.968 40.100 38.000 0.220 0.000 1.245 341 I HN 0.307 nan 8.210 nan 0.000 0.434 342 P HA 0.025 nan 4.420 nan 0.000 0.268 342 P C 0.677 178.019 177.300 0.070 0.000 1.208 342 P CA -0.086 63.038 63.100 0.041 0.000 0.777 342 P CB 0.772 32.495 31.700 0.039 0.000 0.875 343 E N 1.332 121.479 120.200 -0.089 0.000 2.085 343 E HA -0.269 3.954 4.350 -0.212 0.000 0.194 343 E C 0.984 177.647 176.600 0.104 0.000 0.994 343 E CA 1.427 57.762 56.400 -0.107 0.000 0.801 343 E CB -0.018 29.558 29.700 -0.207 0.000 0.743 343 E HN 0.424 nan 8.360 nan 0.000 0.453 344 E N 0.686 120.929 120.200 0.073 0.000 2.401 344 E HA -0.146 4.077 4.350 -0.212 0.000 0.199 344 E C 0.759 177.420 176.600 0.102 0.000 1.023 344 E CA 1.023 57.479 56.400 0.093 0.000 0.859 344 E CB 0.020 29.755 29.700 0.057 0.000 0.780 344 E HN 0.279 nan 8.360 nan 0.000 0.523 345 D N -0.070 120.394 120.400 0.106 0.000 2.340 345 D HA -0.022 4.490 4.640 -0.212 0.000 0.217 345 D C 1.256 177.596 176.300 0.067 0.000 1.081 345 D CA 0.069 54.112 54.000 0.071 0.000 0.842 345 D CB 0.041 40.889 40.800 0.080 0.000 0.934 345 D HN 0.284 nan 8.370 nan 0.000 0.511 346 E N -0.140 120.071 120.200 0.019 0.000 2.114 346 E HA -0.201 4.021 4.350 -0.212 0.000 0.199 346 E C 0.305 176.582 176.600 -0.538 0.000 1.008 346 E CA 1.111 57.309 56.400 -0.337 0.000 0.810 346 E CB 0.036 29.393 29.700 -0.573 0.000 0.739 346 E HN 0.227 nan 8.360 nan 0.000 0.456 347 F N -0.411 119.556 119.950 0.028 0.000 2.684 347 F HA 0.297 4.697 4.527 -0.212 0.000 0.298 347 F C 1.131 176.877 175.800 -0.089 0.000 1.120 347 F CA -0.213 57.776 58.000 -0.018 0.000 1.332 347 F CB 0.574 39.568 39.000 -0.011 0.000 0.986 347 F HN -0.197 nan 8.300 nan 0.000 0.524 348 K N -0.052 120.293 120.400 -0.092 0.000 2.444 348 K HA 0.142 4.335 4.320 -0.212 0.000 0.193 348 K C -0.230 176.008 176.600 -0.603 0.000 1.024 348 K CA 0.288 56.367 56.287 -0.347 0.000 1.077 348 K CB 0.191 32.428 32.500 -0.437 0.000 0.833 348 K HN 0.131 nan 8.250 nan 0.000 0.517 349 F N 0.446 120.258 119.950 -0.230 0.000 2.509 349 F HA 0.105 4.506 4.527 -0.210 0.000 0.334 349 F C 1.133 176.764 175.800 -0.282 0.000 1.060 349 F CA -1.282 56.499 58.000 -0.366 0.000 0.997 349 F CB 0.663 39.087 39.000 -0.960 0.000 1.271 349 F HN -0.030 nan 8.300 nan 0.000 0.488 350 D N -0.480 119.952 120.400 0.053 0.000 2.325 350 D HA 0.081 4.594 4.640 -0.212 0.000 0.225 350 D C -0.515 175.901 176.300 0.193 0.000 1.096 350 D CA 0.101 54.173 54.000 0.121 0.000 0.844 350 D CB -0.844 40.049 40.800 0.155 0.000 0.925 350 D HN 0.234 nan 8.370 nan 0.000 0.513 351 F N -1.715 118.327 119.950 0.153 0.000 2.603 351 F HA 0.555 4.955 4.527 -0.213 0.000 0.317 351 F C -0.434 175.357 175.800 -0.015 0.000 1.066 351 F CA -1.738 56.274 58.000 0.020 0.000 0.941 351 F CB 1.020 40.002 39.000 -0.031 0.000 1.291 351 F HN -0.338 nan 8.300 nan 0.000 0.472 352 D N 1.895 122.288 120.400 -0.011 0.000 2.308 352 D HA 0.213 4.726 4.640 -0.212 0.000 0.251 352 D C 0.980 177.198 176.300 -0.137 0.000 1.127 352 D CA -0.095 53.848 54.000 -0.095 0.000 0.876 352 D CB 1.509 42.275 40.800 -0.057 0.000 1.176 352 D HN 0.752 nan 8.370 nan 0.000 0.446 353 L N 3.372 124.449 121.223 -0.244 0.000 2.275 353 L HA -0.109 4.104 4.340 -0.212 0.000 0.215 353 L C 1.956 178.684 176.870 -0.235 0.000 1.119 353 L CA 0.644 55.321 54.840 -0.272 0.000 0.790 353 L CB -0.081 41.675 42.059 -0.504 0.000 0.919 353 L HN 0.446 nan 8.230 nan 0.000 0.443 354 L N -0.866 120.244 121.223 -0.188 0.000 2.599 354 L HA 0.037 4.250 4.340 -0.212 0.000 0.230 354 L C 0.457 177.267 176.870 -0.101 0.000 1.141 354 L CA -0.043 54.757 54.840 -0.067 0.000 0.877 354 L CB -0.264 41.858 42.059 0.104 0.000 1.009 354 L HN 0.097 nan 8.230 nan 0.000 0.447 355 D N 1.476 121.597 120.400 -0.465 0.000 2.347 355 D HA 0.134 4.646 4.640 -0.212 0.000 0.235 355 D C -1.643 174.449 176.300 -0.347 0.000 1.149 355 D CA -2.255 51.243 54.000 -0.836 0.000 0.850 355 D CB 1.658 41.720 40.800 -1.230 0.000 1.061 355 D HN -0.086 nan 8.370 nan 0.000 0.487 356 P HA -0.035 nan 4.420 nan 0.000 0.237 356 P C 0.882 178.088 177.300 -0.156 0.000 1.178 356 P CA 0.632 63.672 63.100 -0.101 0.000 0.766 356 P CB -0.044 31.688 31.700 0.054 0.000 0.876 357 T N -4.456 109.995 114.554 -0.172 0.000 3.107 357 T HA 0.164 4.387 4.350 -0.212 0.000 0.249 357 T C 0.668 175.269 174.700 -0.164 0.000 1.096 357 T CA -0.110 61.897 62.100 -0.156 0.000 1.012 357 T CB -0.195 68.627 68.868 -0.078 0.000 0.977 357 T HN -0.146 nan 8.240 nan 0.000 0.527 358 K N 2.125 122.346 120.400 -0.299 0.000 2.345 358 K HA 0.552 4.745 4.320 -0.212 0.000 0.255 358 K C -0.436 175.983 176.600 -0.301 0.000 0.934 358 K CA -0.873 55.118 56.287 -0.494 0.000 0.801 358 K CB 2.321 34.426 32.500 -0.657 0.000 1.137 358 K HN 0.286 nan 8.250 nan 0.000 0.424 359 L N -0.185 121.001 121.223 -0.061 0.000 2.416 359 L HA 0.634 4.846 4.340 -0.212 0.000 0.262 359 L C -0.026 176.663 176.870 -0.301 0.000 1.093 359 L CA -0.353 54.396 54.840 -0.152 0.000 0.801 359 L CB 0.293 42.328 42.059 -0.040 0.000 1.191 359 L HN 0.467 nan 8.230 nan 0.000 0.459 360 I N 1.883 122.363 120.570 -0.150 0.000 2.306 360 I HA 0.357 4.399 4.170 -0.212 0.000 0.288 360 I C -2.083 174.045 176.117 0.019 0.000 1.036 360 I CA -1.687 59.575 61.300 -0.063 0.000 1.221 360 I CB 1.092 39.087 38.000 -0.008 0.000 1.385 360 I HN 0.482 nan 8.210 nan 0.000 0.472 361 P HA 0.042 nan 4.420 nan 0.000 0.265 361 P C 0.258 177.622 177.300 0.107 0.000 1.193 361 P CA 0.036 63.176 63.100 0.067 0.000 0.765 361 P CB 0.620 32.350 31.700 0.052 0.000 0.823 362 E N 1.616 121.886 120.200 0.116 0.000 2.268 362 E HA -0.179 4.044 4.350 -0.212 0.000 0.195 362 E C 1.359 178.011 176.600 0.088 0.000 0.995 362 E CA 0.723 57.181 56.400 0.095 0.000 0.836 362 E CB -0.033 29.721 29.700 0.090 0.000 0.763 362 E HN 0.502 nan 8.360 nan 0.000 0.491 363 E N 0.415 120.669 120.200 0.089 0.000 2.204 363 E HA -0.129 4.094 4.350 -0.212 0.000 0.195 363 E C 1.979 178.643 176.600 0.106 0.000 0.990 363 E CA 0.715 57.165 56.400 0.083 0.000 0.821 363 E CB 0.115 29.857 29.700 0.071 0.000 0.750 363 E HN 0.367 nan 8.360 nan 0.000 0.477 364 L N -0.463 120.846 121.223 0.144 0.000 2.221 364 L HA 0.066 4.279 4.340 -0.212 0.000 0.202 364 L C 0.530 177.524 176.870 0.207 0.000 1.074 364 L CA 0.422 55.386 54.840 0.207 0.000 0.795 364 L CB 0.557 42.808 42.059 0.319 0.000 0.960 364 L HN -0.204 nan 8.230 nan 0.000 0.458 365 V N 1.557 121.571 119.914 0.167 0.000 2.445 365 V HA 0.301 4.294 4.120 -0.212 0.000 0.283 365 V C -2.320 173.823 176.094 0.081 0.000 1.014 365 V CA -1.453 60.929 62.300 0.137 0.000 0.852 365 V CB 1.527 33.429 31.823 0.132 0.000 1.021 365 V HN -0.025 nan 8.190 nan 0.000 0.435 366 P HA 0.136 nan 4.420 nan 0.000 0.270 366 P C -0.317 176.980 177.300 -0.004 0.000 1.223 366 P CA 0.037 63.158 63.100 0.034 0.000 0.785 366 P CB 1.124 32.849 31.700 0.041 0.000 0.923 367 V N 2.866 122.747 119.914 -0.054 0.000 2.408 367 V HA 0.107 4.100 4.120 -0.212 0.000 0.267 367 V C 0.863 176.944 176.094 -0.021 0.000 1.047 367 V CA -0.044 62.187 62.300 -0.115 0.000 0.937 367 V CB 0.278 31.949 31.823 -0.252 0.000 0.999 367 V HN 0.536 nan 8.190 nan 0.000 0.472 368 Q N 5.686 125.496 119.800 0.017 0.000 2.288 368 Q HA 0.305 4.518 4.340 -0.212 0.000 0.258 368 Q C -0.096 175.898 176.000 -0.009 0.000 0.957 368 Q CA -0.598 55.219 55.803 0.023 0.000 0.919 368 Q CB 0.662 29.426 28.738 0.043 0.000 1.185 368 Q HN 0.633 nan 8.270 nan 0.000 0.408 369 R N 2.810 123.330 120.500 0.032 0.000 2.401 369 R HA 0.092 4.305 4.340 -0.212 0.000 0.299 369 R C 0.197 176.498 176.300 0.001 0.000 1.064 369 R CA -0.223 55.921 56.100 0.074 0.000 1.000 369 R CB 0.877 31.305 30.300 0.213 0.000 0.973 369 R HN 0.513 nan 8.270 nan 0.000 0.438 370 V N 1.490 121.275 119.914 -0.215 0.000 3.484 370 V HA 0.283 4.276 4.120 -0.212 0.000 0.252 370 V C 0.662 176.453 176.094 -0.505 0.000 1.282 370 V CA 0.964 63.045 62.300 -0.366 0.000 1.104 370 V CB 1.174 32.521 31.823 -0.794 0.000 0.868 370 V HN 1.025 nan 8.190 nan 0.000 0.457 371 G N -0.332 108.042 108.800 -0.709 0.000 2.441 371 G HA2 0.488 4.321 3.960 -0.212 0.000 0.294 371 G HA3 0.488 4.321 3.960 -0.212 0.000 0.294 371 G C -1.834 172.723 174.900 -0.572 0.000 1.393 371 G CA -0.556 43.972 45.100 -0.953 0.000 0.796 371 G HN -0.007 nan 8.290 nan 0.000 0.494 372 K N -0.256 119.890 120.400 -0.424 0.000 2.378 372 K HA 0.705 4.898 4.320 -0.212 0.000 0.252 372 K C -0.953 175.711 176.600 0.106 0.000 0.931 372 K CA -0.783 55.516 56.287 0.018 0.000 0.794 372 K CB 2.080 34.647 32.500 0.111 0.000 1.181 372 K HN 0.566 nan 8.250 nan 0.000 0.425 373 M N 4.676 124.438 119.600 0.270 0.000 2.294 373 M HA 0.401 4.754 4.480 -0.212 0.000 0.335 373 M C -1.695 174.573 176.300 -0.053 0.000 1.079 373 M CA -0.786 54.601 55.300 0.145 0.000 0.982 373 M CB 1.633 34.304 32.600 0.118 0.000 1.651 373 M HN 0.338 nan 8.290 nan 0.000 0.437 374 V N 5.720 125.442 119.914 -0.319 0.000 2.531 374 V HA 0.437 4.430 4.120 -0.212 0.000 0.301 374 V C -0.970 174.999 176.094 -0.207 0.000 1.034 374 V CA -0.828 61.308 62.300 -0.273 0.000 0.865 374 V CB 1.676 33.231 31.823 -0.446 0.000 0.995 374 V HN 0.659 nan 8.190 nan 0.000 0.424 375 L N 5.870 127.051 121.223 -0.070 0.000 2.264 375 L HA 0.490 4.703 4.340 -0.212 0.000 0.287 375 L C 0.670 177.438 176.870 -0.171 0.000 1.039 375 L CA 0.127 54.925 54.840 -0.071 0.000 0.829 375 L CB 0.940 43.011 42.059 0.020 0.000 1.211 375 L HN 0.870 nan 8.230 nan 0.000 0.427 376 N N 1.718 120.219 118.700 -0.333 0.000 2.238 376 N HA 0.174 4.787 4.740 -0.212 0.000 0.235 376 N C -0.054 175.215 175.510 -0.402 0.000 1.209 376 N CA -0.295 52.260 53.050 -0.825 0.000 0.879 376 N CB 0.667 38.349 38.487 -1.342 0.000 1.136 376 N HN 0.191 nan 8.380 nan 0.000 0.517 377 R N 0.541 120.947 120.500 -0.158 0.000 2.535 377 R HA 0.341 4.554 4.340 -0.212 0.000 0.274 377 R C -1.144 175.110 176.300 -0.077 0.000 1.090 377 R CA -0.428 55.611 56.100 -0.101 0.000 0.930 377 R CB 1.415 31.672 30.300 -0.070 0.000 1.223 377 R HN 0.132 nan 8.270 nan 0.000 0.441 378 N N 2.875 121.418 118.700 -0.262 0.000 2.424 378 N HA 0.357 4.970 4.740 -0.212 0.000 0.257 378 N C -2.152 173.307 175.510 -0.084 0.000 1.250 378 N CA -1.230 51.542 53.050 -0.464 0.000 0.946 378 N CB 0.398 37.978 38.487 -1.512 0.000 1.175 378 N HN 0.263 nan 8.380 nan 0.000 0.477 379 P HA 0.139 nan 4.420 nan 0.000 0.274 379 P C 0.069 177.550 177.300 0.301 0.000 1.260 379 P CA -0.094 63.200 63.100 0.324 0.000 0.793 379 P CB 1.013 32.945 31.700 0.386 0.000 1.048 380 D N -1.318 119.239 120.400 0.261 0.000 2.269 380 D HA -0.005 4.508 4.640 -0.212 0.000 0.220 380 D C 0.420 176.892 176.300 0.288 0.000 0.962 380 D CA 1.310 55.455 54.000 0.242 0.000 0.884 380 D CB 0.170 41.056 40.800 0.143 0.000 1.023 380 D HN 0.369 nan 8.370 nan 0.000 0.484 381 N N -0.135 118.729 118.700 0.273 0.000 2.410 381 N HA 0.007 4.620 4.740 -0.212 0.000 0.287 381 N C 0.066 175.786 175.510 0.350 0.000 1.044 381 N CA -0.345 52.879 53.050 0.290 0.000 0.881 381 N CB 1.585 40.210 38.487 0.229 0.000 1.405 381 N HN -0.186 nan 8.380 nan 0.000 0.490 382 F N 4.668 124.769 119.950 0.251 0.000 2.046 382 F HA -0.172 4.228 4.527 -0.212 0.000 0.297 382 F C 1.745 177.681 175.800 0.227 0.000 1.123 382 F CA 1.592 59.742 58.000 0.251 0.000 1.199 382 F CB -0.312 38.810 39.000 0.204 0.000 0.972 382 F HN 0.617 nan 8.300 nan 0.000 0.474 383 F N 0.893 121.075 119.950 0.388 0.000 2.065 383 F HA -0.210 4.191 4.527 -0.210 0.000 0.298 383 F C 2.338 178.189 175.800 0.085 0.000 1.112 383 F CA 2.106 60.243 58.000 0.227 0.000 1.212 383 F CB -1.002 38.114 39.000 0.194 0.000 0.975 383 F HN 0.033 nan 8.300 nan 0.000 0.476 384 A N -0.423 122.563 122.820 0.277 0.000 1.902 384 A HA -0.172 4.021 4.320 -0.212 0.000 0.217 384 A C 2.054 179.589 177.584 -0.081 0.000 1.181 384 A CA 2.038 54.138 52.037 0.106 0.000 0.623 384 A CB -0.664 18.441 19.000 0.175 0.000 0.818 384 A HN 0.616 nan 8.150 nan 0.000 0.443 385 E N -1.487 118.676 120.200 -0.061 0.000 2.206 385 E HA -0.002 4.221 4.350 -0.212 0.000 0.195 385 E C 1.903 178.412 176.600 -0.151 0.000 0.935 385 E CA 0.618 56.910 56.400 -0.181 0.000 0.875 385 E CB -0.083 29.535 29.700 -0.137 0.000 0.841 385 E HN 0.767 nan 8.360 nan 0.000 0.477 386 N N 0.777 119.383 118.700 -0.157 0.000 2.182 386 N HA -0.169 4.444 4.740 -0.212 0.000 0.186 386 N C 1.963 177.287 175.510 -0.310 0.000 1.036 386 N CA 0.789 53.689 53.050 -0.250 0.000 0.850 386 N CB 0.216 38.187 38.487 -0.860 0.000 1.010 386 N HN -0.116 nan 8.380 nan 0.000 0.432 387 E N 0.743 120.691 120.200 -0.419 0.000 2.153 387 E HA -0.139 4.084 4.350 -0.212 0.000 0.194 387 E C 1.577 177.978 176.600 -0.331 0.000 0.988 387 E CA 1.425 57.644 56.400 -0.302 0.000 0.811 387 E CB 0.023 29.554 29.700 -0.282 0.000 0.746 387 E HN 0.461 nan 8.360 nan 0.000 0.466 388 Q N -0.357 119.197 119.800 -0.411 0.000 2.425 388 Q HA 0.237 4.450 4.340 -0.212 0.000 0.204 388 Q C 0.042 175.924 176.000 -0.196 0.000 0.933 388 Q CA 0.251 55.865 55.803 -0.316 0.000 0.939 388 Q CB 0.433 28.969 28.738 -0.337 0.000 1.044 388 Q HN 0.219 nan 8.270 nan 0.000 0.513 389 A N 1.160 123.878 122.820 -0.171 0.000 2.511 389 A HA 0.432 4.624 4.320 -0.212 0.000 0.242 389 A C -0.157 177.298 177.584 -0.216 0.000 1.069 389 A CA 0.256 52.167 52.037 -0.209 0.000 0.763 389 A CB 0.210 19.159 19.000 -0.084 0.000 1.001 389 A HN 0.261 nan 8.150 nan 0.000 0.498 390 A N 2.598 125.233 122.820 -0.308 0.000 2.340 390 A HA 0.699 4.892 4.320 -0.212 0.000 0.297 390 A C -0.811 176.643 177.584 -0.217 0.000 1.195 390 A CA -0.417 51.515 52.037 -0.175 0.000 0.769 390 A CB 0.288 19.227 19.000 -0.101 0.000 1.163 390 A HN 0.631 nan 8.150 nan 0.000 0.472 391 F N 1.726 121.676 119.950 0.000 0.000 2.458 391 F HA 0.639 5.033 4.527 -0.221 0.000 0.330 391 F C 0.442 176.169 175.800 -0.122 0.000 1.082 391 F CA -0.208 57.767 58.000 -0.042 0.000 0.995 391 F CB 1.756 40.692 39.000 -0.107 0.000 1.170 391 F HN 0.643 nan 8.300 nan 0.000 0.478 392 H N 3.676 122.577 119.070 -0.282 0.000 2.966 392 H HA 0.287 4.734 4.556 -0.182 0.000 0.347 392 H C -2.395 172.563 175.328 -0.617 0.000 1.048 392 H CA -2.627 52.984 56.048 -0.728 0.000 1.295 392 H CB 2.853 31.969 29.762 -1.076 0.000 1.744 392 H HN 0.215 nan 8.280 nan 0.000 0.513 393 P HA -0.016 nan 4.420 nan 0.000 0.226 393 P C 1.142 178.517 177.300 0.124 0.000 1.153 393 P CA 1.117 64.173 63.100 -0.073 0.000 0.777 393 P CB 0.104 31.763 31.700 -0.069 0.000 0.794 394 G N -0.799 107.950 108.800 -0.085 0.000 2.650 394 G HA2 -0.128 3.704 3.960 -0.212 0.000 0.214 394 G HA3 -0.128 3.704 3.960 -0.212 0.000 0.214 394 G C 0.514 175.393 174.900 -0.034 0.000 1.136 394 G CA 0.131 45.166 45.100 -0.109 0.000 0.789 394 G HN 0.328 nan 8.290 nan 0.000 0.536 395 H N 1.027 120.000 119.070 -0.161 0.000 3.118 395 H HA 0.297 4.732 4.556 -0.202 0.000 0.266 395 H C 0.846 176.207 175.328 0.055 0.000 1.465 395 H CA -0.799 55.193 56.048 -0.094 0.000 1.460 395 H CB -0.634 29.081 29.762 -0.079 0.000 1.661 395 H HN 0.426 nan 8.280 nan 0.000 0.516 396 I N -0.467 120.155 120.570 0.086 0.000 3.205 396 I HA 0.718 4.761 4.170 -0.212 0.000 0.310 396 I C 0.121 176.186 176.117 -0.087 0.000 1.089 396 I CA -1.408 59.878 61.300 -0.024 0.000 1.023 396 I CB 2.008 39.872 38.000 -0.226 0.000 1.269 396 I HN 0.078 nan 8.210 nan 0.000 0.512 397 V N -2.282 117.576 119.914 -0.095 0.000 3.130 397 V HA 0.667 4.660 4.120 -0.212 0.000 0.310 397 V C -2.895 173.276 176.094 0.128 0.000 1.158 397 V CA -2.494 59.818 62.300 0.020 0.000 1.029 397 V CB 1.104 32.928 31.823 0.002 0.000 1.057 397 V HN 0.647 nan 8.190 nan 0.000 0.436 398 P HA 0.386 nan 4.420 nan 0.000 0.262 398 P C 0.916 178.204 177.300 -0.020 0.000 1.182 398 P CA 1.926 65.084 63.100 0.096 0.000 0.761 398 P CB 0.693 32.434 31.700 0.069 0.000 0.795 399 G N 1.652 110.396 108.800 -0.094 0.000 2.238 399 G HA2 -0.163 3.670 3.960 -0.212 0.000 0.217 399 G HA3 -0.163 3.670 3.960 -0.212 0.000 0.217 399 G C -0.255 174.554 174.900 -0.153 0.000 0.996 399 G CA -0.396 44.632 45.100 -0.121 0.000 0.632 399 G HN 0.456 nan 8.290 nan 0.000 0.503 400 L N 0.169 121.310 121.223 -0.136 0.000 2.323 400 L HA 0.910 5.123 4.340 -0.212 0.000 0.265 400 L C -0.584 176.223 176.870 -0.105 0.000 1.012 400 L CA -1.050 53.688 54.840 -0.170 0.000 0.820 400 L CB 2.079 43.956 42.059 -0.303 0.000 1.334 400 L HN 0.109 nan 8.230 nan 0.000 0.427 401 D N -0.726 119.607 120.400 -0.110 0.000 2.639 401 D HA 0.441 4.954 4.640 -0.212 0.000 0.271 401 D C -1.060 175.197 176.300 -0.072 0.000 1.254 401 D CA -0.348 53.564 54.000 -0.148 0.000 0.810 401 D CB 1.920 42.703 40.800 -0.028 0.000 1.351 401 D HN 0.033 nan 8.370 nan 0.000 0.427 402 F N 0.093 120.176 119.950 0.221 0.000 2.234 402 F HA 0.523 4.931 4.527 -0.199 0.000 0.292 402 F C 1.540 177.367 175.800 0.045 0.000 1.187 402 F CA -0.152 57.911 58.000 0.105 0.000 1.128 402 F CB 0.372 39.404 39.000 0.053 0.000 1.507 402 F HN 0.211 nan 8.300 nan 0.000 0.512 403 T N -3.208 111.450 114.554 0.173 0.000 2.838 403 T HA 0.327 4.550 4.350 -0.212 0.000 0.292 403 T C -0.041 174.689 174.700 0.049 0.000 1.113 403 T CA -0.958 61.214 62.100 0.120 0.000 1.008 403 T CB 1.193 70.099 68.868 0.062 0.000 1.259 403 T HN 0.296 nan 8.240 nan 0.000 0.520 404 N N 1.234 119.969 118.700 0.058 0.000 2.515 404 N HA 0.039 4.652 4.740 -0.212 0.000 0.191 404 N C 0.101 175.615 175.510 0.007 0.000 1.182 404 N CA 0.127 53.193 53.050 0.026 0.000 0.879 404 N CB -0.465 38.057 38.487 0.058 0.000 0.984 404 N HN 0.688 nan 8.380 nan 0.000 0.453 405 D N 1.973 122.362 120.400 -0.018 0.000 2.662 405 D HA -0.084 4.428 4.640 -0.212 0.000 0.233 405 D C -1.373 174.922 176.300 -0.007 0.000 1.129 405 D CA -0.877 53.136 54.000 0.021 0.000 0.851 405 D CB 1.275 42.026 40.800 -0.082 0.000 1.152 405 D HN 0.150 nan 8.370 nan 0.000 0.507 406 P HA -0.113 nan 4.420 nan 0.000 0.226 406 P C 1.563 178.876 177.300 0.021 0.000 1.153 406 P CA 0.193 63.306 63.100 0.022 0.000 0.777 406 P CB 0.391 32.101 31.700 0.015 0.000 0.794 407 L N -0.313 120.942 121.223 0.055 0.000 2.068 407 L HA -0.003 4.210 4.340 -0.212 0.000 0.204 407 L C 2.382 179.185 176.870 -0.113 0.000 1.076 407 L CA 1.277 56.149 54.840 0.054 0.000 0.753 407 L CB -1.535 40.646 42.059 0.202 0.000 0.910 407 L HN -0.170 nan 8.230 nan 0.000 0.439 408 L N -0.643 120.332 121.223 -0.412 0.000 2.046 408 L HA -0.210 4.003 4.340 -0.212 0.000 0.208 408 L C 2.430 179.084 176.870 -0.361 0.000 1.077 408 L CA 1.756 56.167 54.840 -0.715 0.000 0.747 408 L CB -0.851 40.516 42.059 -1.153 0.000 0.896 408 L HN 0.359 nan 8.230 nan 0.000 0.432 409 Q N -0.122 119.521 119.800 -0.261 0.000 2.096 409 Q HA -0.156 4.057 4.340 -0.212 0.000 0.204 409 Q C 2.096 178.023 176.000 -0.121 0.000 0.982 409 Q CA 1.784 57.467 55.803 -0.199 0.000 0.850 409 Q CB -0.731 27.933 28.738 -0.124 0.000 0.901 409 Q HN 0.716 nan 8.270 nan 0.000 0.422 410 G N 0.489 109.247 108.800 -0.068 0.000 2.430 410 G HA2 -0.194 3.639 3.960 -0.212 0.000 0.216 410 G HA3 -0.194 3.639 3.960 -0.212 0.000 0.216 410 G C 1.489 176.409 174.900 0.034 0.000 1.146 410 G CA 0.092 45.194 45.100 0.003 0.000 0.793 410 G HN 0.239 nan 8.290 nan 0.000 0.537 411 R N -0.061 120.421 120.500 -0.030 0.000 2.117 411 R HA -0.033 4.180 4.340 -0.212 0.000 0.243 411 R C 2.486 178.871 176.300 0.141 0.000 1.143 411 R CA 0.990 57.125 56.100 0.058 0.000 0.968 411 R CB -0.511 29.818 30.300 0.047 0.000 0.863 411 R HN 0.341 nan 8.270 nan 0.000 0.444 412 L N -0.479 120.768 121.223 0.040 0.000 2.079 412 L HA -0.221 3.992 4.340 -0.212 0.000 0.210 412 L C 2.323 179.331 176.870 0.230 0.000 1.081 412 L CA 1.250 56.139 54.840 0.082 0.000 0.752 412 L CB -0.447 41.497 42.059 -0.192 0.000 0.896 412 L HN 0.169 nan 8.230 nan 0.000 0.433 413 F N 0.018 119.985 119.950 0.028 0.000 2.163 413 F HA -0.180 4.294 4.527 -0.089 0.000 0.297 413 F C 2.801 178.602 175.800 0.001 0.000 1.094 413 F CA 1.543 59.559 58.000 0.027 0.000 1.290 413 F CB -0.254 38.743 39.000 -0.006 0.000 1.017 413 F HN -0.047 nan 8.300 nan 0.000 0.483 414 S N -0.839 114.764 115.700 -0.162 0.000 2.383 414 S HA -0.194 4.149 4.470 -0.212 0.000 0.227 414 S C 2.045 176.361 174.600 -0.473 0.000 1.026 414 S CA 1.275 59.240 58.200 -0.392 0.000 0.981 414 S CB -0.711 62.318 63.200 -0.285 0.000 0.818 414 S HN 0.490 nan 8.310 nan 0.000 0.472 415 Y N 1.905 121.833 120.300 -0.619 0.000 2.200 415 Y HA -0.036 4.414 4.550 -0.166 0.000 0.290 415 Y C 3.024 178.552 175.900 -0.620 0.000 1.137 415 Y CA 1.622 59.286 58.100 -0.726 0.000 1.163 415 Y CB -1.216 36.530 38.460 -1.191 0.000 0.988 415 Y HN 0.229 nan 8.280 nan 0.000 0.518 416 T N -0.328 113.997 114.554 -0.382 0.000 2.652 416 T HA -0.245 3.978 4.350 -0.212 0.000 0.267 416 T C 1.529 176.089 174.700 -0.233 0.000 1.039 416 T CA 1.867 63.878 62.100 -0.147 0.000 1.153 416 T CB -0.534 68.372 68.868 0.063 0.000 0.863 416 T HN 0.336 nan 8.240 nan 0.000 0.428 417 D N 0.199 120.391 120.400 -0.346 0.000 2.092 417 D HA -0.112 4.401 4.640 -0.212 0.000 0.193 417 D C 2.334 178.481 176.300 -0.254 0.000 0.994 417 D CA 1.624 55.427 54.000 -0.328 0.000 0.828 417 D CB -0.510 39.944 40.800 -0.576 0.000 0.963 417 D HN 0.261 nan 8.370 nan 0.000 0.450 418 T N -1.008 113.371 114.554 -0.292 0.000 2.833 418 T HA -0.149 4.074 4.350 -0.212 0.000 0.269 418 T C 1.863 176.430 174.700 -0.221 0.000 1.054 418 T CA 1.425 63.386 62.100 -0.230 0.000 1.135 418 T CB -0.184 68.531 68.868 -0.255 0.000 0.869 418 T HN 0.215 nan 8.240 nan 0.000 0.466 419 Q N -0.135 119.481 119.800 -0.306 0.000 2.167 419 Q HA -0.006 4.207 4.340 -0.212 0.000 0.202 419 Q C 2.245 178.062 176.000 -0.305 0.000 0.970 419 Q CA 0.996 56.565 55.803 -0.390 0.000 0.855 419 Q CB -0.058 28.242 28.738 -0.730 0.000 0.911 419 Q HN 0.491 nan 8.270 nan 0.000 0.438 420 I N 0.535 120.985 120.570 -0.199 0.000 2.226 420 I HA -0.224 3.818 4.170 -0.212 0.000 0.245 420 I C 2.436 178.544 176.117 -0.015 0.000 1.100 420 I CA 1.602 62.890 61.300 -0.020 0.000 1.374 420 I CB -1.336 36.686 38.000 0.037 0.000 1.057 420 I HN 0.224 nan 8.210 nan 0.000 0.413 421 S N 0.669 116.340 115.700 -0.048 0.000 2.406 421 S HA -0.124 4.219 4.470 -0.212 0.000 0.224 421 S C 2.160 176.743 174.600 -0.028 0.000 1.030 421 S CA 0.390 58.576 58.200 -0.023 0.000 0.958 421 S CB -0.411 62.774 63.200 -0.026 0.000 0.811 421 S HN 0.337 nan 8.310 nan 0.000 0.489 422 R N 1.044 121.506 120.500 -0.063 0.000 2.073 422 R HA 0.143 4.356 4.340 -0.212 0.000 0.234 422 R C 1.508 177.787 176.300 -0.035 0.000 1.134 422 R CA 1.458 57.526 56.100 -0.053 0.000 0.952 422 R CB -0.303 29.945 30.300 -0.086 0.000 0.850 422 R HN 0.454 nan 8.270 nan 0.000 0.433 423 L N -0.623 120.574 121.223 -0.044 0.000 2.700 423 L HA 0.325 4.538 4.340 -0.212 0.000 0.234 423 L C 0.906 177.802 176.870 0.044 0.000 1.156 423 L CA 0.324 55.161 54.840 -0.004 0.000 0.946 423 L CB 0.991 43.054 42.059 0.007 0.000 1.216 423 L HN 0.621 nan 8.230 nan 0.000 0.493 424 G N -0.258 108.567 108.800 0.042 0.000 2.176 424 G HA2 -0.131 3.702 3.960 -0.212 0.000 0.253 424 G HA3 -0.131 3.702 3.960 -0.212 0.000 0.253 424 G C 0.415 175.368 174.900 0.087 0.000 0.979 424 G CA -0.115 45.019 45.100 0.056 0.000 0.641 424 G HN 0.753 nan 8.290 nan 0.000 0.530 425 G N -1.555 107.324 108.800 0.131 0.000 2.327 425 G HA2 0.634 4.466 3.960 -0.212 0.000 0.291 425 G HA3 0.634 4.466 3.960 -0.212 0.000 0.291 425 G C -2.515 172.543 174.900 0.263 0.000 1.290 425 G CA 0.424 45.617 45.100 0.155 0.000 0.857 425 G HN 0.405 nan 8.290 nan 0.000 0.520 426 P HA 0.170 nan 4.420 nan 0.000 0.261 426 P C 0.029 177.348 177.300 0.032 0.000 1.268 426 P CA 0.223 63.456 63.100 0.221 0.000 0.833 426 P CB 0.280 32.066 31.700 0.144 0.000 1.231 427 N N 0.525 119.240 118.700 0.024 0.000 2.453 427 N HA 0.097 4.710 4.740 -0.212 0.000 0.270 427 N C 0.866 176.212 175.510 -0.273 0.000 1.195 427 N CA -0.261 52.685 53.050 -0.173 0.000 0.902 427 N CB -0.333 38.096 38.487 -0.098 0.000 1.186 427 N HN 0.220 nan 8.380 nan 0.000 0.510 428 F N 0.621 120.586 119.950 0.026 0.000 2.365 428 F HA -0.052 4.360 4.527 -0.191 0.000 0.300 428 F C 2.325 178.093 175.800 -0.054 0.000 1.090 428 F CA 0.681 58.668 58.000 -0.021 0.000 1.408 428 F CB -0.682 38.322 39.000 0.007 0.000 1.060 428 F HN 0.165 nan 8.300 nan 0.000 0.534 429 H N 0.687 119.383 119.070 -0.624 0.000 2.521 429 H HA 0.013 4.441 4.556 -0.214 0.000 0.286 429 H C 0.870 176.065 175.328 -0.221 0.000 1.034 429 H CA 1.474 57.285 56.048 -0.394 0.000 1.278 429 H CB -0.819 28.595 29.762 -0.579 0.000 1.386 429 H HN 0.527 nan 8.280 nan 0.000 0.567 430 E N 0.919 120.714 120.200 -0.675 0.000 2.478 430 E HA 0.174 4.396 4.350 -0.212 0.000 0.194 430 E C 0.366 176.873 176.600 -0.154 0.000 1.045 430 E CA -0.268 55.908 56.400 -0.373 0.000 0.868 430 E CB 0.467 29.948 29.700 -0.364 0.000 0.885 430 E HN 0.417 nan 8.360 nan 0.000 0.505 431 I N 2.938 123.441 120.570 -0.112 0.000 2.587 431 I HA -0.052 3.991 4.170 -0.212 0.000 0.284 431 I C -1.533 174.545 176.117 -0.065 0.000 1.134 431 I CA -1.469 59.796 61.300 -0.059 0.000 1.410 431 I CB 0.614 38.590 38.000 -0.039 0.000 1.392 431 I HN -0.176 nan 8.210 nan 0.000 0.545 432 P HA -0.274 nan 4.420 nan 0.000 0.219 432 P C 1.709 178.951 177.300 -0.096 0.000 1.161 432 P CA 1.392 64.451 63.100 -0.069 0.000 0.909 432 P CB 0.151 31.816 31.700 -0.058 0.000 0.793 433 I N -1.044 119.442 120.570 -0.140 0.000 2.454 433 I HA -0.177 3.866 4.170 -0.212 0.000 0.254 433 I C 1.276 177.337 176.117 -0.093 0.000 1.156 433 I CA 1.691 62.861 61.300 -0.218 0.000 1.433 433 I CB -0.653 37.105 38.000 -0.403 0.000 1.082 433 I HN -0.114 nan 8.210 nan 0.000 0.432 434 N N 0.603 119.266 118.700 -0.062 0.000 2.353 434 N HA 0.066 4.679 4.740 -0.212 0.000 0.185 434 N C 0.181 175.721 175.510 0.050 0.000 1.098 434 N CA 0.179 53.223 53.050 -0.011 0.000 0.872 434 N CB -0.020 38.475 38.487 0.014 0.000 0.970 434 N HN 0.367 nan 8.380 nan 0.000 0.467 435 R N 1.561 122.091 120.500 0.049 0.000 2.491 435 R HA 0.193 4.406 4.340 -0.212 0.000 0.283 435 R C -2.208 174.174 176.300 0.137 0.000 1.072 435 R CA -1.248 54.882 56.100 0.049 0.000 1.048 435 R CB -0.018 30.290 30.300 0.013 0.000 0.983 435 R HN 0.031 nan 8.270 nan 0.000 0.450 436 P HA 0.014 nan 4.420 nan 0.000 0.272 436 P C 0.488 177.868 177.300 0.133 0.000 1.230 436 P CA -0.122 63.070 63.100 0.153 0.000 0.788 436 P CB 0.639 32.384 31.700 0.074 0.000 0.949 437 T N -3.244 111.398 114.554 0.147 0.000 3.037 437 T HA 0.064 4.287 4.350 -0.212 0.000 0.251 437 T C 0.953 175.695 174.700 0.070 0.000 1.079 437 T CA 0.035 62.172 62.100 0.063 0.000 1.067 437 T CB -1.039 67.846 68.868 0.029 0.000 0.948 437 T HN 0.596 nan 8.240 nan 0.000 0.496 438 C N 1.658 121.015 119.300 0.094 0.000 2.403 438 C HA 0.725 5.058 4.460 -0.212 0.000 0.361 438 C C -2.357 172.688 174.990 0.092 0.000 1.274 438 C CA -2.455 56.616 59.018 0.089 0.000 2.433 438 C CB -0.134 27.663 27.740 0.096 0.000 2.323 438 C HN 0.184 nan 8.230 nan 0.000 0.614 439 P HA 0.263 nan 4.420 nan 0.000 0.268 439 P C -1.148 176.216 177.300 0.106 0.000 1.205 439 P CA 0.552 63.714 63.100 0.104 0.000 0.771 439 P CB -0.046 31.766 31.700 0.186 0.000 0.858 440 Y N 1.098 121.278 120.300 -0.200 0.000 2.354 440 Y HA 0.632 5.057 4.550 -0.207 0.000 0.330 440 Y C -1.535 174.043 175.900 -0.537 0.000 1.011 440 Y CA -0.989 56.978 58.100 -0.222 0.000 1.099 440 Y CB 1.118 39.484 38.460 -0.158 0.000 1.179 440 Y HN 0.432 nan 8.280 nan 0.000 0.442 441 H N 4.107 123.103 119.070 -0.124 0.000 2.856 441 H HA 0.590 5.019 4.556 -0.211 0.000 0.355 441 H C -1.109 174.123 175.328 -0.160 0.000 1.079 441 H CA -0.713 55.189 56.048 -0.243 0.000 1.240 441 H CB 1.645 31.288 29.762 -0.199 0.000 1.701 441 H HN 0.886 nan 8.280 nan 0.000 0.527 442 N N 0.390 118.997 118.700 -0.155 0.000 3.441 442 N HA 0.179 4.792 4.740 -0.212 0.000 0.313 442 N C -1.246 174.023 175.510 -0.402 0.000 1.526 442 N CA -0.855 52.038 53.050 -0.260 0.000 0.871 442 N CB 0.726 39.214 38.487 0.002 0.000 1.779 442 N HN 0.251 nan 8.380 nan 0.000 0.529 443 F N -0.271 119.728 119.950 0.081 0.000 2.639 443 F HA 0.377 4.776 4.527 -0.214 0.000 0.302 443 F C 0.298 176.146 175.800 0.079 0.000 1.097 443 F CA -0.281 57.761 58.000 0.069 0.000 1.294 443 F CB 0.070 39.104 39.000 0.057 0.000 1.027 443 F HN 0.181 nan 8.300 nan 0.000 0.550 444 Q N 1.449 121.359 119.800 0.182 0.000 2.327 444 Q HA 0.461 4.674 4.340 -0.212 0.000 0.254 444 Q C 0.099 176.181 176.000 0.136 0.000 0.952 444 Q CA -0.139 55.753 55.803 0.148 0.000 0.884 444 Q CB 1.205 30.005 28.738 0.103 0.000 1.224 444 Q HN 0.079 nan 8.270 nan 0.000 0.422 445 R N 1.459 122.032 120.500 0.122 0.000 2.817 445 R HA 0.361 4.574 4.340 -0.212 0.000 0.268 445 R C -0.658 175.695 176.300 0.087 0.000 1.027 445 R CA -0.641 55.521 56.100 0.104 0.000 0.928 445 R CB 1.128 31.492 30.300 0.107 0.000 1.228 445 R HN 0.725 nan 8.270 nan 0.000 0.469 446 D N -0.241 120.201 120.400 0.070 0.000 3.439 446 D HA -0.173 4.340 4.640 -0.212 0.000 0.238 446 D C 0.349 176.686 176.300 0.062 0.000 1.727 446 D CA 1.994 56.029 54.000 0.057 0.000 1.145 446 D CB -1.048 39.785 40.800 0.056 0.000 0.764 446 D HN 0.899 nan 8.370 nan 0.000 0.938 447 G N -1.312 107.524 108.800 0.061 0.000 2.692 447 G HA2 0.212 4.045 3.960 -0.212 0.000 0.686 447 G HA3 0.212 4.045 3.960 -0.212 0.000 0.686 447 G C -0.231 174.710 174.900 0.068 0.000 1.243 447 G CA 0.071 45.213 45.100 0.070 0.000 0.782 447 G HN 0.819 nan 8.290 nan 0.000 0.625 448 M N 1.040 120.689 119.600 0.081 0.000 2.252 448 M HA 0.481 4.833 4.480 -0.212 0.000 0.329 448 M C 1.087 177.471 176.300 0.140 0.000 1.101 448 M CA 1.217 56.575 55.300 0.095 0.000 1.117 448 M CB -0.339 32.322 32.600 0.101 0.000 1.563 448 M HN 1.660 nan 8.290 nan 0.000 0.445 449 H N 0.666 119.748 119.070 0.020 0.000 2.677 449 H HA -0.179 4.250 4.556 -0.212 0.000 0.321 449 H C -0.828 174.495 175.328 -0.008 0.000 1.171 449 H CA 0.966 57.019 56.048 0.009 0.000 1.139 449 H CB -0.763 29.006 29.762 0.012 0.000 1.515 449 H HN 0.602 nan 8.280 nan 0.000 0.423 450 R N 1.350 121.826 120.500 -0.040 0.000 2.316 450 R HA 0.127 4.340 4.340 -0.212 0.000 0.314 450 R C 0.844 177.091 176.300 -0.088 0.000 1.069 450 R CA -0.137 55.943 56.100 -0.033 0.000 0.959 450 R CB 0.305 30.600 30.300 -0.008 0.000 0.987 450 R HN 0.333 nan 8.270 nan 0.000 0.446 451 M N 2.554 122.120 119.600 -0.058 0.000 2.412 451 M HA 0.243 4.596 4.480 -0.212 0.000 0.263 451 M C 0.889 177.163 176.300 -0.042 0.000 1.122 451 M CA 1.018 56.282 55.300 -0.059 0.000 1.179 451 M CB -0.896 31.688 32.600 -0.028 0.000 1.335 451 M HN 0.722 nan 8.290 nan 0.000 0.465 452 G N 1.865 110.651 108.800 -0.023 0.000 2.365 452 G HA2 0.378 4.210 3.960 -0.212 0.000 0.249 452 G HA3 0.378 4.210 3.960 -0.212 0.000 0.249 452 G C -0.335 174.551 174.900 -0.023 0.000 1.288 452 G CA -0.358 44.728 45.100 -0.024 0.000 0.887 452 G HN 0.325 nan 8.290 nan 0.000 0.524 453 I N 2.869 123.420 120.570 -0.031 0.000 2.306 453 I HA 0.099 4.142 4.170 -0.212 0.000 0.288 453 I C -0.241 175.864 176.117 -0.022 0.000 1.036 453 I CA -0.540 60.747 61.300 -0.021 0.000 1.221 453 I CB 0.944 38.931 38.000 -0.022 0.000 1.385 453 I HN 0.350 nan 8.210 nan 0.000 0.472 454 D N 4.864 125.259 120.400 -0.009 0.000 2.351 454 D HA 0.067 4.580 4.640 -0.212 0.000 0.251 454 D C 1.196 177.498 176.300 0.004 0.000 1.137 454 D CA 0.241 54.237 54.000 -0.008 0.000 0.879 454 D CB 1.828 42.635 40.800 0.011 0.000 1.181 454 D HN 0.578 nan 8.370 nan 0.000 0.448 455 T N -0.829 113.724 114.554 -0.002 0.000 3.040 455 T HA -0.057 4.165 4.350 -0.212 0.000 0.250 455 T C 0.857 175.568 174.700 0.019 0.000 1.058 455 T CA -0.521 61.583 62.100 0.006 0.000 0.988 455 T CB 0.182 69.046 68.868 -0.006 0.000 0.993 455 T HN 0.125 nan 8.240 nan 0.000 0.519 456 N N 3.269 121.984 118.700 0.025 0.000 2.411 456 N HA 0.092 4.704 4.740 -0.212 0.000 0.261 456 N C -1.731 173.822 175.510 0.071 0.000 1.248 456 N CA -1.464 51.615 53.050 0.049 0.000 0.885 456 N CB 1.360 39.881 38.487 0.057 0.000 1.062 456 N HN 0.038 nan 8.380 nan 0.000 0.471 457 P HA -0.047 nan 4.420 nan 0.000 0.218 457 P C -0.618 176.742 177.300 0.099 0.000 1.148 457 P CA 1.099 64.245 63.100 0.076 0.000 0.822 457 P CB 0.194 31.934 31.700 0.066 0.000 0.784 458 A N 0.366 123.236 122.820 0.083 0.000 2.306 458 A HA 0.386 4.579 4.320 -0.212 0.000 0.314 458 A C 0.421 178.101 177.584 0.160 0.000 1.164 458 A CA -0.587 51.452 52.037 0.003 0.000 0.822 458 A CB 0.009 18.849 19.000 -0.266 0.000 1.130 458 A HN 0.288 nan 8.150 nan 0.000 0.496 459 N N -0.097 118.724 118.700 0.201 0.000 2.351 459 N HA 0.360 4.972 4.740 -0.212 0.000 0.254 459 N C -0.896 174.757 175.510 0.238 0.000 1.241 459 N CA -0.362 52.886 53.050 0.330 0.000 0.883 459 N CB 0.397 39.042 38.487 0.264 0.000 1.202 459 N HN 0.663 nan 8.380 nan 0.000 0.512 460 Y N -0.841 119.304 120.300 -0.257 0.000 2.655 460 Y HA 0.714 5.136 4.550 -0.213 0.000 0.336 460 Y C -1.521 173.768 175.900 -1.018 0.000 1.154 460 Y CA -1.419 56.377 58.100 -0.506 0.000 1.055 460 Y CB 0.921 39.245 38.460 -0.226 0.000 1.295 460 Y HN 0.097 nan 8.280 nan 0.000 0.465 461 E N 0.344 120.117 120.200 -0.711 0.000 2.352 461 E HA 0.622 4.845 4.350 -0.212 0.000 0.280 461 E C -3.248 173.256 176.600 -0.159 0.000 0.930 461 E CA -1.923 54.143 56.400 -0.556 0.000 0.765 461 E CB 1.711 31.063 29.700 -0.580 0.000 1.219 461 E HN 0.573 nan 8.360 nan 0.000 0.434 462 P HA 0.303 nan 4.420 nan 0.000 0.275 462 P C -1.276 175.982 177.300 -0.069 0.000 1.228 462 P CA -0.455 62.586 63.100 -0.099 0.000 0.786 462 P CB 0.521 32.195 31.700 -0.043 0.000 0.927 463 N N -1.325 117.259 118.700 -0.193 0.000 2.242 463 N HA 0.320 4.933 4.740 -0.212 0.000 0.292 463 N C 0.251 175.709 175.510 -0.086 0.000 1.125 463 N CA -0.778 52.157 53.050 -0.192 0.000 0.783 463 N CB 1.489 39.561 38.487 -0.691 0.000 1.558 463 N HN 0.176 nan 8.380 nan 0.000 0.472 464 S N 0.889 116.587 115.700 -0.002 0.000 2.492 464 S HA -0.005 4.338 4.470 -0.212 0.000 0.218 464 S C 1.510 176.123 174.600 0.022 0.000 1.016 464 S CA 0.043 58.246 58.200 0.005 0.000 0.916 464 S CB -0.794 62.421 63.200 0.025 0.000 0.791 464 S HN 0.719 nan 8.310 nan 0.000 0.513 465 I N -0.841 119.747 120.570 0.030 0.000 3.001 465 I HA 0.256 4.299 4.170 -0.212 0.000 0.268 465 I C 1.182 177.329 176.117 0.051 0.000 1.267 465 I CA 1.029 62.359 61.300 0.050 0.000 1.472 465 I CB -0.352 37.697 38.000 0.082 0.000 1.089 465 I HN 0.163 nan 8.210 nan 0.000 0.468 466 N N 1.194 119.922 118.700 0.047 0.000 2.365 466 N HA 0.043 4.656 4.740 -0.212 0.000 0.257 466 N C -0.094 175.529 175.510 0.188 0.000 1.287 466 N CA -0.071 53.050 53.050 0.118 0.000 0.882 466 N CB -0.007 38.563 38.487 0.138 0.000 1.250 466 N HN 0.183 nan 8.380 nan 0.000 0.507 467 D N 0.884 121.345 120.400 0.102 0.000 2.751 467 D HA -0.260 4.253 4.640 -0.212 0.000 0.233 467 D C -0.122 176.089 176.300 -0.147 0.000 1.149 467 D CA 1.090 55.123 54.000 0.054 0.000 0.682 467 D CB -1.288 39.631 40.800 0.198 0.000 1.068 467 D HN 0.511 nan 8.370 nan 0.000 0.429 468 N N -1.639 116.988 118.700 -0.122 0.000 2.782 468 N HA -0.244 4.369 4.740 -0.212 0.000 0.251 468 N C -0.834 174.578 175.510 -0.163 0.000 1.101 468 N CA 1.378 54.317 53.050 -0.184 0.000 0.764 468 N CB -1.307 37.029 38.487 -0.252 0.000 1.122 468 N HN 0.524 nan 8.380 nan 0.000 0.561 469 W N 0.902 122.253 121.300 0.084 0.000 2.375 469 W HA 0.472 5.004 4.660 -0.213 0.000 0.336 469 W C -1.621 174.954 176.519 0.093 0.000 1.160 469 W CA -1.639 55.743 57.345 0.062 0.000 1.266 469 W CB 0.499 29.946 29.460 -0.023 0.000 1.195 469 W HN -0.044 nan 8.180 nan 0.000 0.599 470 P HA 0.147 nan 4.420 nan 0.000 0.271 470 P C -0.683 176.743 177.300 0.211 0.000 1.218 470 P CA 0.024 63.264 63.100 0.235 0.000 0.780 470 P CB 0.985 32.674 31.700 -0.018 0.000 0.901 471 R N 1.176 121.769 120.500 0.156 0.000 2.668 471 R HA 0.312 4.525 4.340 -0.212 0.000 0.279 471 R C 0.418 176.738 176.300 0.033 0.000 0.976 471 R CA -0.812 55.258 56.100 -0.049 0.000 0.978 471 R CB 1.172 31.212 30.300 -0.433 0.000 1.133 471 R HN 0.499 nan 8.270 nan 0.000 0.484 472 E N 0.543 120.753 120.200 0.016 0.000 2.422 472 E HA 0.045 4.267 4.350 -0.212 0.000 0.260 472 E C -0.552 176.065 176.600 0.028 0.000 1.108 472 E CA 0.595 57.019 56.400 0.040 0.000 0.943 472 E CB 0.683 30.398 29.700 0.026 0.000 0.961 472 E HN 0.363 nan 8.360 nan 0.000 0.443 473 T N 2.928 117.510 114.554 0.048 0.000 2.881 473 T HA 0.349 4.572 4.350 -0.212 0.000 0.290 473 T C -2.452 172.269 174.700 0.035 0.000 1.000 473 T CA -1.516 60.610 62.100 0.044 0.000 0.978 473 T CB 1.547 70.453 68.868 0.063 0.000 0.997 473 T HN 0.231 nan 8.240 nan 0.000 0.443 474 P HA 0.263 nan 4.420 nan 0.000 0.270 474 P C -2.487 174.817 177.300 0.007 0.000 1.223 474 P CA -1.242 61.864 63.100 0.010 0.000 0.785 474 P CB -0.277 31.424 31.700 0.002 0.000 0.923 475 P HA 0.296 nan 4.420 nan 0.000 0.271 475 P C -0.125 177.161 177.300 -0.023 0.000 1.218 475 P CA 0.305 63.389 63.100 -0.028 0.000 0.780 475 P CB 0.818 32.481 31.700 -0.063 0.000 0.901 476 G N 1.497 110.283 108.800 -0.023 0.000 2.606 476 G HA2 0.431 4.263 3.960 -0.212 0.000 0.300 476 G HA3 0.431 4.263 3.960 -0.212 0.000 0.300 476 G C -2.451 172.437 174.900 -0.020 0.000 1.360 476 G CA -0.793 44.297 45.100 -0.016 0.000 0.783 476 G HN 0.133 nan 8.290 nan 0.000 0.484 477 P HA 0.059 nan 4.420 nan 0.000 0.218 477 P C 0.181 177.475 177.300 -0.009 0.000 1.149 477 P CA 1.319 64.409 63.100 -0.016 0.000 0.817 477 P CB 0.051 31.744 31.700 -0.011 0.000 0.785 478 K N -2.682 117.719 120.400 0.002 0.000 2.557 478 K HA 0.467 4.660 4.320 -0.212 0.000 0.261 478 K C -0.289 176.325 176.600 0.024 0.000 0.932 478 K CA -0.801 55.494 56.287 0.013 0.000 0.829 478 K CB 1.266 33.775 32.500 0.015 0.000 1.358 478 K HN -0.362 nan 8.250 nan 0.000 0.430 479 R N 0.064 120.585 120.500 0.036 0.000 3.651 479 R HA -0.120 4.093 4.340 -0.212 0.000 0.292 479 R C -0.023 176.305 176.300 0.046 0.000 1.161 479 R CA 1.165 57.293 56.100 0.046 0.000 0.787 479 R CB -2.349 27.979 30.300 0.046 0.000 1.249 479 R HN 1.022 nan 8.270 nan 0.000 0.476 480 G N -1.072 107.750 108.800 0.037 0.000 2.491 480 G HA2 0.660 4.493 3.960 -0.212 0.000 0.327 480 G HA3 0.660 4.493 3.960 -0.212 0.000 0.327 480 G C 0.320 175.251 174.900 0.051 0.000 1.189 480 G CA 0.041 45.161 45.100 0.032 0.000 0.956 480 G HN 0.260 nan 8.290 nan 0.000 0.491 481 G N -1.316 107.515 108.800 0.052 0.000 2.572 481 G HA2 0.417 4.249 3.960 -0.212 0.000 0.261 481 G HA3 0.417 4.249 3.960 -0.212 0.000 0.261 481 G C -0.755 174.200 174.900 0.093 0.000 1.197 481 G CA -0.540 44.612 45.100 0.088 0.000 0.870 481 G HN 0.466 nan 8.290 nan 0.000 0.548 482 F N 0.224 120.182 119.950 0.014 0.000 2.427 482 F HA 0.429 4.832 4.527 -0.206 0.000 0.352 482 F C 0.463 176.271 175.800 0.014 0.000 1.100 482 F CA -0.406 57.598 58.000 0.006 0.000 1.191 482 F CB 1.031 40.034 39.000 0.005 0.000 1.128 482 F HN 0.439 nan 8.300 nan 0.000 0.533 483 E N 4.226 124.061 120.200 -0.608 0.000 2.246 483 E HA 0.317 4.540 4.350 -0.212 0.000 0.266 483 E C -1.132 175.136 176.600 -0.552 0.000 0.880 483 E CA -0.773 55.418 56.400 -0.348 0.000 0.762 483 E CB 1.478 31.068 29.700 -0.184 0.000 1.180 483 E HN 0.644 nan 8.360 nan 0.000 0.416 484 S N 2.643 118.256 115.700 -0.144 0.000 2.572 484 S HA -0.016 4.327 4.470 -0.212 0.000 0.279 484 S C -0.483 174.099 174.600 -0.029 0.000 1.341 484 S CA -0.339 57.849 58.200 -0.020 0.000 1.043 484 S CB 0.129 63.444 63.200 0.193 0.000 0.887 484 S HN 0.486 nan 8.310 nan 0.000 0.516 485 Y N 2.491 122.727 120.300 -0.106 0.000 2.717 485 Y HA -0.037 4.385 4.550 -0.213 0.000 0.330 485 Y C 0.881 176.762 175.900 -0.033 0.000 1.217 485 Y CA 0.121 58.170 58.100 -0.085 0.000 1.506 485 Y CB 0.117 38.528 38.460 -0.082 0.000 1.268 485 Y HN 0.585 nan 8.280 nan 0.000 0.561 486 Q N 5.219 124.646 119.800 -0.621 0.000 3.254 486 Q HA 0.013 4.226 4.340 -0.212 0.000 0.315 486 Q C -0.156 175.556 176.000 -0.480 0.000 1.405 486 Q CA -0.040 55.509 55.803 -0.424 0.000 0.966 486 Q CB -0.231 28.328 28.738 -0.297 0.000 1.706 486 Q HN 0.651 nan 8.270 nan 0.000 0.525 487 E N 1.492 121.494 120.200 -0.330 0.000 2.452 487 E HA -0.040 4.183 4.350 -0.212 0.000 0.261 487 E C -0.232 176.338 176.600 -0.050 0.000 0.987 487 E CA -0.286 56.052 56.400 -0.102 0.000 0.926 487 E CB 0.619 30.394 29.700 0.124 0.000 0.934 487 E HN 0.141 nan 8.360 nan 0.000 0.452 488 R N 3.222 123.714 120.500 -0.013 0.000 2.298 488 R HA 0.218 4.431 4.340 -0.212 0.000 0.310 488 R C -1.462 174.858 176.300 0.034 0.000 1.068 488 R CA -0.281 55.820 56.100 0.002 0.000 0.957 488 R CB 0.820 31.128 30.300 0.014 0.000 1.003 488 R HN 0.277 nan 8.270 nan 0.000 0.454 489 V N 4.880 124.808 119.914 0.023 0.000 2.459 489 V HA 0.434 4.427 4.120 -0.212 0.000 0.295 489 V C -0.364 175.742 176.094 0.020 0.000 1.029 489 V CA -0.553 61.765 62.300 0.030 0.000 0.874 489 V CB 1.629 33.466 31.823 0.024 0.000 0.985 489 V HN 0.818 nan 8.190 nan 0.000 0.438 490 E N 2.744 122.957 120.200 0.022 0.000 2.334 490 E HA 0.643 4.866 4.350 -0.212 0.000 0.280 490 E C -0.173 176.433 176.600 0.008 0.000 0.899 490 E CA -0.330 56.078 56.400 0.012 0.000 0.813 490 E CB 2.164 31.872 29.700 0.014 0.000 1.318 490 E HN 0.988 nan 8.360 nan 0.000 0.399 491 G N 2.384 111.184 108.800 0.001 0.000 2.322 491 G HA2 0.122 3.955 3.960 -0.212 0.000 0.295 491 G HA3 0.122 3.955 3.960 -0.212 0.000 0.295 491 G C -1.409 173.484 174.900 -0.011 0.000 1.369 491 G CA -0.904 44.193 45.100 -0.006 0.000 0.821 491 G HN 0.322 nan 8.290 nan 0.000 0.536 492 N N 0.078 118.769 118.700 -0.016 0.000 2.482 492 N HA 0.276 4.889 4.740 -0.212 0.000 0.279 492 N C -0.439 175.057 175.510 -0.023 0.000 1.182 492 N CA -0.487 52.552 53.050 -0.018 0.000 0.969 492 N CB 1.511 39.987 38.487 -0.019 0.000 1.201 492 N HN 0.368 nan 8.380 nan 0.000 0.523 493 K N 1.333 121.719 120.400 -0.024 0.000 2.351 493 K HA 0.140 4.333 4.320 -0.212 0.000 0.287 493 K C -0.350 176.228 176.600 -0.037 0.000 1.068 493 K CA 0.015 56.284 56.287 -0.030 0.000 0.998 493 K CB -0.041 32.443 32.500 -0.028 0.000 0.968 493 K HN 0.328 nan 8.250 nan 0.000 0.464 494 V N 0.323 120.209 119.914 -0.045 0.000 2.971 494 V HA 0.463 4.455 4.120 -0.212 0.000 0.309 494 V C -0.573 175.481 176.094 -0.068 0.000 1.130 494 V CA -1.340 60.929 62.300 -0.052 0.000 0.964 494 V CB 2.062 33.856 31.823 -0.049 0.000 1.029 494 V HN 0.622 nan 8.190 nan 0.000 0.427 495 R N 2.290 122.745 120.500 -0.075 0.000 2.522 495 R HA 0.587 4.800 4.340 -0.212 0.000 0.290 495 R C -0.486 175.763 176.300 -0.085 0.000 1.216 495 R CA -0.151 55.891 56.100 -0.097 0.000 1.250 495 R CB 0.804 31.033 30.300 -0.118 0.000 1.143 495 R HN 0.930 nan 8.270 nan 0.000 0.553 496 E N 1.922 122.069 120.200 -0.088 0.000 2.343 496 E HA 0.249 4.472 4.350 -0.212 0.000 0.278 496 E C -1.276 175.255 176.600 -0.114 0.000 0.910 496 E CA -1.030 55.321 56.400 -0.082 0.000 0.757 496 E CB 1.823 31.482 29.700 -0.068 0.000 1.218 496 E HN 0.107 nan 8.360 nan 0.000 0.435 497 R N 1.475 121.911 120.500 -0.107 0.000 2.390 497 R HA 0.227 4.440 4.340 -0.212 0.000 0.291 497 R C -0.521 175.663 176.300 -0.194 0.000 1.070 497 R CA 0.035 56.031 56.100 -0.173 0.000 1.014 497 R CB 1.258 31.511 30.300 -0.078 0.000 1.007 497 R HN 0.395 nan 8.270 nan 0.000 0.466 498 S N 4.735 120.217 115.700 -0.364 0.000 2.549 498 S HA 0.107 4.450 4.470 -0.212 0.000 0.286 498 S C -1.524 173.053 174.600 -0.039 0.000 1.314 498 S CA -1.185 56.893 58.200 -0.203 0.000 1.062 498 S CB 0.625 63.668 63.200 -0.262 0.000 0.865 498 S HN 0.544 nan 8.310 nan 0.000 0.498 499 P HA -0.109 nan 4.420 nan 0.000 0.219 499 P C 1.566 178.916 177.300 0.084 0.000 1.146 499 P CA 1.268 64.390 63.100 0.037 0.000 0.808 499 P CB -0.171 31.540 31.700 0.018 0.000 0.779 500 S N -1.804 113.985 115.700 0.148 0.000 2.442 500 S HA -0.133 4.210 4.470 -0.212 0.000 0.236 500 S C 1.491 176.252 174.600 0.269 0.000 1.007 500 S CA 0.951 59.271 58.200 0.199 0.000 0.965 500 S CB -1.423 61.924 63.200 0.244 0.000 0.773 500 S HN -0.026 nan 8.310 nan 0.000 0.504 501 F N 2.210 122.156 119.950 -0.006 0.000 2.797 501 F HA 0.396 4.794 4.527 -0.215 0.000 0.302 501 F C 1.950 177.707 175.800 -0.072 0.000 1.130 501 F CA -0.802 57.194 58.000 -0.006 0.000 1.387 501 F CB -0.592 38.433 39.000 0.042 0.000 1.107 501 F HN 0.349 nan 8.300 nan 0.000 0.577 502 G N 0.533 109.351 108.800 0.030 0.000 3.471 502 G HA2 0.082 3.914 3.960 -0.212 0.000 0.254 502 G HA3 0.082 3.914 3.960 -0.212 0.000 0.254 502 G C -0.035 174.453 174.900 -0.686 0.000 1.199 502 G CA 0.107 45.030 45.100 -0.294 0.000 1.683 502 G HN 0.048 nan 8.290 nan 0.000 0.625 503 E N 0.226 119.981 120.200 -0.743 0.000 2.260 503 E HA 0.322 4.545 4.350 -0.212 0.000 0.266 503 E C -0.890 175.340 176.600 -0.616 0.000 0.887 503 E CA -0.770 55.259 56.400 -0.618 0.000 0.777 503 E CB 1.491 31.059 29.700 -0.219 0.000 1.205 503 E HN 0.229 nan 8.360 nan 0.000 0.414 504 Y N 2.748 122.837 120.300 -0.353 0.000 2.527 504 Y HA 0.211 4.634 4.550 -0.212 0.000 0.247 504 Y C 0.601 176.202 175.900 -0.498 0.000 1.138 504 Y CA -0.182 57.619 58.100 -0.499 0.000 1.228 504 Y CB 0.391 38.404 38.460 -0.746 0.000 1.252 504 Y HN 0.424 nan 8.280 nan 0.000 0.531 505 Y N -1.321 119.064 120.300 0.141 0.000 2.467 505 Y HA 0.094 4.518 4.550 -0.210 0.000 0.259 505 Y C 2.362 178.322 175.900 0.101 0.000 1.084 505 Y CA 0.121 58.297 58.100 0.126 0.000 1.275 505 Y CB -0.252 38.286 38.460 0.131 0.000 1.208 505 Y HN 0.065 nan 8.280 nan 0.000 0.511 506 S N -0.941 114.892 115.700 0.221 0.000 2.428 506 S HA -0.164 4.179 4.470 -0.212 0.000 0.230 506 S C 1.369 176.048 174.600 0.131 0.000 1.014 506 S CA 1.432 59.743 58.200 0.185 0.000 0.957 506 S CB -0.444 62.869 63.200 0.188 0.000 0.784 506 S HN 0.422 nan 8.310 nan 0.000 0.499 507 H N 2.586 121.571 119.070 -0.141 0.000 2.343 507 H HA 0.227 4.656 4.556 -0.211 0.000 0.303 507 H C -0.651 174.462 175.328 -0.358 0.000 1.068 507 H CA 1.108 56.916 56.048 -0.401 0.000 1.359 507 H CB -1.653 27.669 29.762 -0.735 0.000 1.402 507 H HN 0.368 nan 8.280 nan 0.000 0.515 508 P HA -0.170 nan 4.420 nan 0.000 0.216 508 P C 1.474 178.954 177.300 0.301 0.000 1.153 508 P CA 1.689 64.923 63.100 0.224 0.000 0.858 508 P CB 0.120 31.986 31.700 0.276 0.000 0.789 509 R N -0.430 120.201 120.500 0.218 0.000 2.075 509 R HA -0.130 4.083 4.340 -0.212 0.000 0.232 509 R C 2.163 178.593 176.300 0.217 0.000 1.126 509 R CA 1.152 57.390 56.100 0.229 0.000 0.963 509 R CB -1.095 29.302 30.300 0.162 0.000 0.858 509 R HN 0.060 nan 8.270 nan 0.000 0.435 510 L N 0.511 121.804 121.223 0.117 0.000 2.042 510 L HA -0.177 4.036 4.340 -0.212 0.000 0.210 510 L C 1.979 178.924 176.870 0.124 0.000 1.076 510 L CA 1.787 56.664 54.840 0.062 0.000 0.749 510 L CB -0.752 41.268 42.059 -0.065 0.000 0.893 510 L HN 0.228 nan 8.230 nan 0.000 0.432 511 F N -0.757 119.238 119.950 0.074 0.000 2.102 511 F HA -0.251 4.150 4.527 -0.209 0.000 0.298 511 F C 2.326 178.142 175.800 0.028 0.000 1.105 511 F CA 2.061 60.094 58.000 0.055 0.000 1.239 511 F CB -0.791 38.301 39.000 0.154 0.000 0.991 511 F HN 0.384 nan 8.300 nan 0.000 0.474 512 W N 1.281 122.572 121.300 -0.015 0.000 2.317 512 W HA -0.273 4.259 4.660 -0.213 0.000 0.318 512 W C 1.816 178.218 176.519 -0.194 0.000 1.227 512 W CA 1.977 59.255 57.345 -0.112 0.000 1.269 512 W CB -0.770 28.716 29.460 0.043 0.000 1.155 512 W HN 0.082 nan 8.180 nan 0.000 0.484 513 L N 0.997 122.157 121.223 -0.104 0.000 2.362 513 L HA -0.158 4.054 4.340 -0.212 0.000 0.219 513 L C 2.338 179.031 176.870 -0.295 0.000 1.134 513 L CA 1.048 55.758 54.840 -0.217 0.000 0.807 513 L CB -0.610 41.440 42.059 -0.015 0.000 0.927 513 L HN -0.128 nan 8.230 nan 0.000 0.447 514 S N -1.499 114.011 115.700 -0.317 0.000 2.558 514 S HA 0.051 4.393 4.470 -0.212 0.000 0.217 514 S C 0.700 175.028 174.600 -0.454 0.000 0.975 514 S CA 0.055 58.065 58.200 -0.316 0.000 0.912 514 S CB 0.050 63.105 63.200 -0.243 0.000 0.776 514 S HN 0.275 nan 8.310 nan 0.000 0.526 515 Q N 2.274 121.694 119.800 -0.632 0.000 2.259 515 Q HA 0.282 4.495 4.340 -0.212 0.000 0.246 515 Q C 0.662 176.271 176.000 -0.653 0.000 0.920 515 Q CA -0.093 55.293 55.803 -0.695 0.000 0.895 515 Q CB 0.564 28.802 28.738 -0.834 0.000 1.220 515 Q HN 0.440 nan 8.270 nan 0.000 0.439 516 T N -1.437 112.692 114.554 -0.709 0.000 2.701 516 T HA 0.129 4.352 4.350 -0.212 0.000 0.303 516 T C -1.718 172.531 174.700 -0.752 0.000 1.030 516 T CA -1.170 60.465 62.100 -0.774 0.000 1.010 516 T CB 0.167 68.286 68.868 -1.248 0.000 1.007 516 T HN 0.255 nan 8.240 nan 0.000 0.532 517 P HA 0.000 nan 4.420 nan 0.000 0.217 517 P C 1.378 178.478 177.300 -0.334 0.000 1.150 517 P CA 0.881 63.757 63.100 -0.372 0.000 0.832 517 P CB -0.232 31.358 31.700 -0.183 0.000 0.787 518 F N -0.122 119.633 119.950 -0.326 0.000 2.259 518 F HA 0.052 4.451 4.527 -0.212 0.000 0.298 518 F C 1.783 177.205 175.800 -0.631 0.000 1.088 518 F CA 0.849 58.586 58.000 -0.437 0.000 1.358 518 F CB -1.613 37.132 39.000 -0.425 0.000 1.040 518 F HN -0.104 nan 8.300 nan 0.000 0.505 519 E N 0.552 120.290 120.200 -0.770 0.000 2.072 519 E HA -0.204 4.018 4.350 -0.212 0.000 0.191 519 E C 2.223 178.641 176.600 -0.303 0.000 0.985 519 E CA 1.381 57.502 56.400 -0.465 0.000 0.801 519 E CB -0.296 29.066 29.700 -0.563 0.000 0.750 519 E HN 0.607 nan 8.360 nan 0.000 0.452 520 Q N 0.389 119.919 119.800 -0.450 0.000 2.061 520 Q HA -0.227 3.986 4.340 -0.212 0.000 0.204 520 Q C 2.297 178.319 176.000 0.038 0.000 0.984 520 Q CA 1.549 57.114 55.803 -0.397 0.000 0.846 520 Q CB -0.230 28.039 28.738 -0.783 0.000 0.902 520 Q HN 0.141 nan 8.270 nan 0.000 0.421 521 R N 0.097 120.598 120.500 0.001 0.000 2.091 521 R HA -0.183 4.030 4.340 -0.212 0.000 0.238 521 R C 1.714 178.180 176.300 0.278 0.000 1.136 521 R CA 1.800 57.986 56.100 0.143 0.000 0.959 521 R CB -0.219 30.131 30.300 0.084 0.000 0.856 521 R HN 0.476 nan 8.270 nan 0.000 0.437 522 H N -0.429 118.740 119.070 0.164 0.000 2.423 522 H HA -0.034 4.395 4.556 -0.212 0.000 0.297 522 H C 2.149 177.594 175.328 0.195 0.000 1.075 522 H CA 1.238 57.395 56.048 0.182 0.000 1.342 522 H CB 0.058 29.936 29.762 0.194 0.000 1.395 522 H HN 0.214 nan 8.280 nan 0.000 0.530 523 I N 0.214 120.998 120.570 0.356 0.000 2.179 523 I HA -0.254 3.789 4.170 -0.212 0.000 0.242 523 I C 2.279 178.685 176.117 0.482 0.000 1.088 523 I CA 0.784 62.334 61.300 0.416 0.000 1.357 523 I CB -0.162 38.182 38.000 0.574 0.000 1.051 523 I HN 0.074 nan 8.210 nan 0.000 0.409 524 V N 0.863 121.050 119.914 0.455 0.000 2.282 524 V HA -0.335 3.658 4.120 -0.212 0.000 0.249 524 V C 2.065 178.333 176.094 0.290 0.000 1.057 524 V CA 2.147 64.659 62.300 0.353 0.000 1.032 524 V CB -0.719 31.272 31.823 0.279 0.000 0.645 524 V HN 0.418 nan 8.190 nan 0.000 0.447 525 D N 0.447 121.003 120.400 0.260 0.000 2.144 525 D HA -0.095 4.418 4.640 -0.212 0.000 0.199 525 D C 2.188 178.572 176.300 0.140 0.000 0.984 525 D CA 1.556 55.678 54.000 0.203 0.000 0.834 525 D CB -0.610 40.318 40.800 0.213 0.000 0.955 525 D HN 0.476 nan 8.370 nan 0.000 0.465 526 G N -0.047 108.815 108.800 0.103 0.000 2.433 526 G HA2 -0.245 3.588 3.960 -0.212 0.000 0.216 526 G HA3 -0.245 3.588 3.960 -0.212 0.000 0.216 526 G C 1.467 176.390 174.900 0.039 0.000 1.186 526 G CA 0.203 45.274 45.100 -0.048 0.000 0.779 526 G HN 0.166 nan 8.290 nan 0.000 0.543 527 F N 1.797 121.791 119.950 0.073 0.000 2.095 527 F HA -0.093 4.307 4.527 -0.212 0.000 0.298 527 F C 3.181 178.916 175.800 -0.109 0.000 1.104 527 F CA 1.656 59.639 58.000 -0.029 0.000 1.232 527 F CB -0.436 38.552 39.000 -0.020 0.000 0.987 527 F HN 0.084 nan 8.300 nan 0.000 0.475 528 S N -0.241 115.560 115.700 0.168 0.000 2.368 528 S HA -0.215 4.128 4.470 -0.212 0.000 0.225 528 S C 1.872 176.510 174.600 0.064 0.000 1.030 528 S CA 1.354 59.602 58.200 0.080 0.000 0.999 528 S CB -0.741 62.526 63.200 0.112 0.000 0.844 528 S HN 0.411 nan 8.310 nan 0.000 0.459 529 F N 2.486 122.410 119.950 -0.044 0.000 2.113 529 F HA -0.059 4.340 4.527 -0.213 0.000 0.297 529 F C 2.279 178.038 175.800 -0.069 0.000 1.103 529 F CA 1.382 59.351 58.000 -0.052 0.000 1.248 529 F CB -0.332 38.597 39.000 -0.119 0.000 0.999 529 F HN 0.126 nan 8.300 nan 0.000 0.475 530 E N 0.684 120.934 120.200 0.083 0.000 2.051 530 E HA -0.224 3.999 4.350 -0.212 0.000 0.192 530 E C 2.351 178.804 176.600 -0.246 0.000 0.991 530 E CA 1.735 58.132 56.400 -0.005 0.000 0.799 530 E CB -0.568 29.262 29.700 0.215 0.000 0.748 530 E HN 0.473 nan 8.360 nan 0.000 0.449 531 L N 0.995 121.985 121.223 -0.390 0.000 2.275 531 L HA -0.112 4.100 4.340 -0.212 0.000 0.215 531 L C 2.380 179.102 176.870 -0.247 0.000 1.119 531 L CA 0.548 55.127 54.840 -0.436 0.000 0.790 531 L CB -0.172 41.630 42.059 -0.428 0.000 0.919 531 L HN 0.015 nan 8.230 nan 0.000 0.443 532 S N -0.345 115.225 115.700 -0.216 0.000 2.447 532 S HA -0.103 4.240 4.470 -0.212 0.000 0.233 532 S C 1.657 176.151 174.600 -0.176 0.000 1.006 532 S CA 0.947 59.041 58.200 -0.177 0.000 0.957 532 S CB -0.055 63.037 63.200 -0.179 0.000 0.773 532 S HN 0.405 nan 8.310 nan 0.000 0.507 533 K N 1.020 121.295 120.400 -0.207 0.000 2.404 533 K HA 0.177 4.370 4.320 -0.212 0.000 0.194 533 K C -0.311 176.287 176.600 -0.004 0.000 1.023 533 K CA 0.023 56.244 56.287 -0.110 0.000 1.094 533 K CB 0.377 32.795 32.500 -0.138 0.000 0.841 533 K HN 0.106 nan 8.250 nan 0.000 0.523 534 V N 1.915 121.809 119.914 -0.033 0.000 2.455 534 V HA -0.034 3.959 4.120 -0.212 0.000 0.273 534 V C 1.431 177.516 176.094 -0.014 0.000 1.045 534 V CA 0.022 62.328 62.300 0.010 0.000 0.976 534 V CB 1.388 33.186 31.823 -0.042 0.000 0.993 534 V HN -0.014 nan 8.190 nan 0.000 0.475 535 V N 5.308 125.232 119.914 0.017 0.000 2.407 535 V HA -0.024 3.969 4.120 -0.212 0.000 0.245 535 V C 1.330 177.409 176.094 -0.023 0.000 1.041 535 V CA 1.175 63.479 62.300 0.007 0.000 1.040 535 V CB -0.430 31.413 31.823 0.033 0.000 0.671 535 V HN 0.752 nan 8.190 nan 0.000 0.455 536 R N 1.066 121.527 120.500 -0.065 0.000 2.291 536 R HA 0.151 4.364 4.340 -0.212 0.000 0.333 536 R C -1.708 174.473 176.300 -0.198 0.000 1.082 536 R CA -1.295 54.732 56.100 -0.121 0.000 0.948 536 R CB 0.517 30.666 30.300 -0.251 0.000 1.009 536 R HN 0.270 nan 8.270 nan 0.000 0.460 537 P HA -0.191 nan 4.420 nan 0.000 0.218 537 P C 0.751 178.024 177.300 -0.045 0.000 1.149 537 P CA 1.097 64.170 63.100 -0.045 0.000 0.817 537 P CB -0.001 31.708 31.700 0.015 0.000 0.785 538 Y N -1.105 119.196 120.300 0.002 0.000 2.274 538 Y HA -0.102 4.321 4.550 -0.213 0.000 0.290 538 Y C 1.955 177.862 175.900 0.012 0.000 1.145 538 Y CA 0.830 58.932 58.100 0.004 0.000 1.203 538 Y CB -1.754 36.709 38.460 0.005 0.000 0.984 538 Y HN -0.130 nan 8.280 nan 0.000 0.533 539 I N 0.836 120.984 120.570 -0.704 0.000 2.226 539 I HA -0.259 3.783 4.170 -0.212 0.000 0.245 539 I C 2.588 178.621 176.117 -0.140 0.000 1.100 539 I CA 1.482 62.563 61.300 -0.365 0.000 1.374 539 I CB -0.465 37.315 38.000 -0.367 0.000 1.057 539 I HN 0.194 nan 8.210 nan 0.000 0.413 540 R N 0.880 121.287 120.500 -0.155 0.000 2.096 540 R HA -0.217 3.996 4.340 -0.212 0.000 0.240 540 R C 2.174 178.426 176.300 -0.080 0.000 1.139 540 R CA 1.757 57.779 56.100 -0.130 0.000 0.952 540 R CB -0.422 29.802 30.300 -0.127 0.000 0.854 540 R HN 0.467 nan 8.270 nan 0.000 0.436 541 E N 0.206 120.382 120.200 -0.040 0.000 2.077 541 E HA -0.166 4.056 4.350 -0.212 0.000 0.193 541 E C 2.132 178.739 176.600 0.013 0.000 0.989 541 E CA 1.062 57.458 56.400 -0.006 0.000 0.800 541 E CB -0.014 29.705 29.700 0.032 0.000 0.746 541 E HN 0.287 nan 8.360 nan 0.000 0.452 542 R N 0.295 120.818 120.500 0.039 0.000 2.096 542 R HA -0.104 4.109 4.340 -0.212 0.000 0.235 542 R C 2.393 178.720 176.300 0.045 0.000 1.127 542 R CA 1.134 57.269 56.100 0.059 0.000 0.968 542 R CB -0.328 30.027 30.300 0.092 0.000 0.861 542 R HN 0.058 nan 8.270 nan 0.000 0.440 543 V N 0.421 120.354 119.914 0.032 0.000 2.358 543 V HA -0.189 3.803 4.120 -0.212 0.000 0.246 543 V C 2.294 178.370 176.094 -0.029 0.000 1.047 543 V CA 1.433 63.761 62.300 0.045 0.000 1.035 543 V CB -0.266 31.591 31.823 0.058 0.000 0.658 543 V HN 0.124 nan 8.190 nan 0.000 0.452 544 V N 0.466 120.339 119.914 -0.069 0.000 2.343 544 V HA -0.309 3.684 4.120 -0.212 0.000 0.247 544 V C 2.342 178.400 176.094 -0.061 0.000 1.051 544 V CA 2.430 64.668 62.300 -0.103 0.000 1.036 544 V CB -0.677 31.088 31.823 -0.096 0.000 0.654 544 V HN 0.631 nan 8.190 nan 0.000 0.451 545 D N -0.528 119.868 120.400 -0.006 0.000 2.116 545 D HA -0.214 4.299 4.640 -0.212 0.000 0.193 545 D C 2.295 178.680 176.300 0.141 0.000 0.998 545 D CA 1.458 55.489 54.000 0.052 0.000 0.836 545 D CB -0.077 40.771 40.800 0.081 0.000 0.951 545 D HN 0.377 nan 8.370 nan 0.000 0.449 546 Q N -0.292 119.564 119.800 0.093 0.000 2.124 546 Q HA -0.109 4.103 4.340 -0.212 0.000 0.202 546 Q C 2.623 178.659 176.000 0.060 0.000 0.977 546 Q CA 0.718 56.579 55.803 0.096 0.000 0.850 546 Q CB -0.288 28.519 28.738 0.114 0.000 0.901 546 Q HN 0.463 nan 8.270 nan 0.000 0.429 547 L N 0.129 121.321 121.223 -0.052 0.000 2.131 547 L HA -0.127 4.086 4.340 -0.212 0.000 0.210 547 L C 2.370 179.137 176.870 -0.170 0.000 1.092 547 L CA 0.933 55.667 54.840 -0.176 0.000 0.759 547 L CB -0.679 41.166 42.059 -0.356 0.000 0.903 547 L HN 0.105 nan 8.230 nan 0.000 0.435 548 A N -0.804 121.939 122.820 -0.128 0.000 2.121 548 A HA -0.184 4.009 4.320 -0.212 0.000 0.218 548 A C 1.697 179.129 177.584 -0.254 0.000 1.154 548 A CA 1.129 53.056 52.037 -0.182 0.000 0.679 548 A CB -0.721 18.176 19.000 -0.173 0.000 0.795 548 A HN 0.447 nan 8.150 nan 0.000 0.458 549 H N -1.225 117.650 119.070 -0.326 0.000 2.548 549 H HA 0.274 4.704 4.556 -0.211 0.000 0.265 549 H C 1.543 176.617 175.328 -0.424 0.000 0.969 549 H CA 0.880 56.607 56.048 -0.535 0.000 1.155 549 H CB 0.105 29.174 29.762 -1.154 0.000 1.394 549 H HN 0.501 nan 8.280 nan 0.000 0.570 550 I N -1.182 119.311 120.570 -0.127 0.000 2.962 550 I HA 0.092 4.134 4.170 -0.212 0.000 0.246 550 I C -0.125 175.927 176.117 -0.109 0.000 1.091 550 I CA 0.400 61.680 61.300 -0.033 0.000 1.469 550 I CB 0.639 38.634 38.000 -0.009 0.000 1.324 550 I HN 0.087 nan 8.210 nan 0.000 0.461 551 D N -0.259 120.004 120.400 -0.228 0.000 2.931 551 D HA 0.161 4.673 4.640 -0.212 0.000 0.215 551 D C 0.325 176.469 176.300 -0.259 0.000 1.297 551 D CA -0.396 53.451 54.000 -0.255 0.000 0.892 551 D CB 1.549 42.054 40.800 -0.491 0.000 1.642 551 D HN -0.053 nan 8.370 nan 0.000 0.560 552 L N 3.029 124.156 121.223 -0.159 0.000 2.046 552 L HA -0.083 4.130 4.340 -0.212 0.000 0.208 552 L C 1.310 178.104 176.870 -0.126 0.000 1.077 552 L CA 1.996 56.754 54.840 -0.136 0.000 0.747 552 L CB -0.711 41.297 42.059 -0.084 0.000 0.896 552 L HN 0.599 nan 8.230 nan 0.000 0.432 553 T N 0.722 115.225 114.554 -0.084 0.000 2.746 553 T HA -0.193 4.030 4.350 -0.212 0.000 0.267 553 T C 1.828 176.463 174.700 -0.109 0.000 1.039 553 T CA 1.546 63.634 62.100 -0.020 0.000 1.142 553 T CB -0.283 68.662 68.868 0.128 0.000 0.866 553 T HN 0.302 nan 8.240 nan 0.000 0.444 554 L N 1.622 122.618 121.223 -0.379 0.000 2.017 554 L HA 0.100 4.313 4.340 -0.212 0.000 0.208 554 L C 2.589 179.233 176.870 -0.378 0.000 1.073 554 L CA 2.021 56.488 54.840 -0.622 0.000 0.745 554 L CB -1.123 40.154 42.059 -1.303 0.000 0.894 554 L HN 0.195 nan 8.230 nan 0.000 0.432 555 A N -0.949 121.669 122.820 -0.337 0.000 1.877 555 A HA -0.257 3.936 4.320 -0.212 0.000 0.216 555 A C 2.215 179.701 177.584 -0.164 0.000 1.186 555 A CA 1.931 53.819 52.037 -0.250 0.000 0.620 555 A CB -0.666 18.204 19.000 -0.216 0.000 0.822 555 A HN 0.692 nan 8.150 nan 0.000 0.443 556 Q N -0.818 118.908 119.800 -0.122 0.000 2.119 556 Q HA -0.071 4.142 4.340 -0.212 0.000 0.201 556 Q C 2.416 178.386 176.000 -0.049 0.000 0.972 556 Q CA 1.236 56.996 55.803 -0.073 0.000 0.847 556 Q CB -0.354 28.356 28.738 -0.047 0.000 0.903 556 Q HN 0.691 nan 8.270 nan 0.000 0.433 557 A N 0.297 123.093 122.820 -0.040 0.000 1.930 557 A HA -0.116 4.076 4.320 -0.212 0.000 0.217 557 A C 2.291 179.873 177.584 -0.003 0.000 1.175 557 A CA 1.195 53.235 52.037 0.005 0.000 0.627 557 A CB -0.499 18.534 19.000 0.055 0.000 0.815 557 A HN 0.199 nan 8.150 nan 0.000 0.443 558 V N -0.258 119.624 119.914 -0.053 0.000 2.379 558 V HA -0.172 3.821 4.120 -0.212 0.000 0.245 558 V C 3.045 179.104 176.094 -0.058 0.000 1.044 558 V CA 1.699 63.965 62.300 -0.056 0.000 1.036 558 V CB -1.193 30.540 31.823 -0.150 0.000 0.664 558 V HN 0.593 nan 8.190 nan 0.000 0.453 559 A N -0.199 122.576 122.820 -0.075 0.000 1.908 559 A HA -0.287 3.906 4.320 -0.212 0.000 0.218 559 A C 2.361 179.925 177.584 -0.034 0.000 1.181 559 A CA 2.276 54.277 52.037 -0.060 0.000 0.627 559 A CB -0.518 18.442 19.000 -0.067 0.000 0.818 559 A HN 0.483 nan 8.150 nan 0.000 0.445 560 K N -0.529 119.859 120.400 -0.020 0.000 2.097 560 K HA -0.163 4.030 4.320 -0.212 0.000 0.206 560 K C 1.344 177.947 176.600 0.005 0.000 1.049 560 K CA 1.446 57.731 56.287 -0.004 0.000 0.933 560 K CB -0.209 32.295 32.500 0.007 0.000 0.717 560 K HN 0.413 nan 8.250 nan 0.000 0.442 561 N N 0.604 119.310 118.700 0.010 0.000 2.453 561 N HA -0.098 4.515 4.740 -0.212 0.000 0.183 561 N C 0.965 176.478 175.510 0.004 0.000 1.041 561 N CA 0.703 53.766 53.050 0.022 0.000 0.900 561 N CB 0.108 38.620 38.487 0.042 0.000 0.961 561 N HN 0.123 nan 8.380 nan 0.000 0.443 562 L N -0.686 120.528 121.223 -0.016 0.000 2.640 562 L HA 0.318 4.531 4.340 -0.212 0.000 0.230 562 L C 1.286 178.143 176.870 -0.022 0.000 1.123 562 L CA 0.036 54.859 54.840 -0.029 0.000 0.900 562 L CB -0.613 41.414 42.059 -0.053 0.000 1.146 562 L HN 0.174 nan 8.230 nan 0.000 0.484 563 G N 0.321 109.114 108.800 -0.013 0.000 2.160 563 G HA2 -0.282 3.551 3.960 -0.212 0.000 0.251 563 G HA3 -0.282 3.551 3.960 -0.212 0.000 0.251 563 G C 0.334 175.226 174.900 -0.013 0.000 1.008 563 G CA 0.267 45.361 45.100 -0.008 0.000 0.724 563 G HN 0.312 nan 8.290 nan 0.000 0.514 564 I N 0.214 120.772 120.570 -0.020 0.000 2.460 564 I HA 0.408 4.451 4.170 -0.212 0.000 0.298 564 I C -0.192 175.911 176.117 -0.023 0.000 0.989 564 I CA -0.855 60.432 61.300 -0.023 0.000 1.173 564 I CB 1.579 39.559 38.000 -0.034 0.000 1.338 564 I HN -0.091 nan 8.210 nan 0.000 0.456 565 E N 5.913 126.101 120.200 -0.020 0.000 2.113 565 E HA 0.337 4.560 4.350 -0.212 0.000 0.273 565 E C -0.710 175.874 176.600 -0.026 0.000 0.924 565 E CA -0.852 55.536 56.400 -0.021 0.000 0.764 565 E CB 1.787 31.479 29.700 -0.014 0.000 1.104 565 E HN 0.275 nan 8.360 nan 0.000 0.406 566 L N 2.425 123.627 121.223 -0.035 0.000 2.467 566 L HA 0.117 4.330 4.340 -0.212 0.000 0.270 566 L C 1.415 178.264 176.870 -0.034 0.000 1.205 566 L CA 0.331 55.146 54.840 -0.042 0.000 0.828 566 L CB -0.179 41.847 42.059 -0.056 0.000 1.101 566 L HN 0.552 nan 8.230 nan 0.000 0.479 567 T N -1.832 112.701 114.554 -0.035 0.000 2.810 567 T HA 0.156 4.379 4.350 -0.212 0.000 0.277 567 T C 1.070 175.748 174.700 -0.037 0.000 0.973 567 T CA -0.296 61.786 62.100 -0.030 0.000 0.949 567 T CB 0.813 69.666 68.868 -0.025 0.000 1.075 567 T HN 0.630 nan 8.240 nan 0.000 0.537 568 D N 0.054 120.435 120.400 -0.031 0.000 2.117 568 D HA -0.172 4.341 4.640 -0.212 0.000 0.197 568 D C 1.336 177.610 176.300 -0.043 0.000 0.987 568 D CA 1.259 55.239 54.000 -0.033 0.000 0.829 568 D CB -0.683 40.102 40.800 -0.025 0.000 0.961 568 D HN 0.583 nan 8.370 nan 0.000 0.460 569 D N 0.647 121.021 120.400 -0.043 0.000 2.097 569 D HA -0.154 4.359 4.640 -0.212 0.000 0.195 569 D C 2.219 178.468 176.300 -0.084 0.000 0.989 569 D CA 1.018 54.986 54.000 -0.054 0.000 0.827 569 D CB -0.187 40.588 40.800 -0.042 0.000 0.966 569 D HN 0.415 nan 8.370 nan 0.000 0.456 570 Q N -0.156 119.594 119.800 -0.084 0.000 2.084 570 Q HA -0.120 4.093 4.340 -0.212 0.000 0.202 570 Q C 2.134 178.059 176.000 -0.124 0.000 0.978 570 Q CA 0.580 56.312 55.803 -0.119 0.000 0.844 570 Q CB 0.022 28.705 28.738 -0.091 0.000 0.898 570 Q HN 0.139 nan 8.270 nan 0.000 0.426 571 L N 0.956 122.126 121.223 -0.089 0.000 2.191 571 L HA -0.147 4.066 4.340 -0.212 0.000 0.212 571 L C 1.177 177.998 176.870 -0.082 0.000 1.103 571 L CA 1.549 56.342 54.840 -0.079 0.000 0.769 571 L CB -0.418 41.608 42.059 -0.055 0.000 0.908 571 L HN 0.257 nan 8.230 nan 0.000 0.438 572 N N -0.759 117.891 118.700 -0.085 0.000 2.238 572 N HA 0.178 4.791 4.740 -0.212 0.000 0.222 572 N C 0.292 175.741 175.510 -0.102 0.000 1.133 572 N CA -0.048 52.955 53.050 -0.077 0.000 0.854 572 N CB 0.868 39.322 38.487 -0.056 0.000 1.041 572 N HN 0.249 nan 8.380 nan 0.000 0.510 573 I N 1.893 122.371 120.570 -0.154 0.000 2.598 573 I HA -0.058 3.985 4.170 -0.212 0.000 0.284 573 I C 0.501 176.525 176.117 -0.155 0.000 1.140 573 I CA 0.399 61.572 61.300 -0.212 0.000 1.420 573 I CB 0.384 38.144 38.000 -0.399 0.000 1.387 573 I HN -0.122 nan 8.210 nan 0.000 0.553 574 T N 8.411 122.898 114.554 -0.111 0.000 2.888 574 T HA 0.133 4.356 4.350 -0.212 0.000 0.301 574 T C -1.970 172.692 174.700 -0.064 0.000 1.001 574 T CA -0.863 61.198 62.100 -0.065 0.000 1.147 574 T CB -0.011 68.839 68.868 -0.030 0.000 0.931 574 T HN 0.432 nan 8.240 nan 0.000 0.541 575 P HA 0.168 nan 4.420 nan 0.000 0.267 575 P C -2.426 174.887 177.300 0.023 0.000 1.200 575 P CA -1.275 61.814 63.100 -0.019 0.000 0.772 575 P CB -0.382 31.317 31.700 -0.002 0.000 0.855 576 P HA 0.240 nan 4.420 nan 0.000 0.272 576 P C -2.455 174.900 177.300 0.091 0.000 1.230 576 P CA -1.274 61.892 63.100 0.111 0.000 0.788 576 P CB -1.026 30.786 31.700 0.187 0.000 0.949 577 P HA 0.139 nan 4.420 nan 0.000 0.271 577 P C -0.531 176.820 177.300 0.085 0.000 1.233 577 P CA 0.158 63.306 63.100 0.081 0.000 0.789 577 P CB 0.096 31.847 31.700 0.085 0.000 0.951 578 D N -0.889 119.554 120.400 0.072 0.000 2.360 578 D HA 0.192 4.705 4.640 -0.212 0.000 0.242 578 D C -0.427 175.922 176.300 0.082 0.000 1.184 578 D CA -0.046 53.993 54.000 0.065 0.000 0.930 578 D CB 0.269 41.102 40.800 0.055 0.000 1.161 578 D HN -0.066 nan 8.370 nan 0.000 0.447 579 V N 2.306 122.258 119.914 0.063 0.000 2.334 579 V HA 0.122 4.114 4.120 -0.212 0.000 0.267 579 V C -0.099 176.086 176.094 0.152 0.000 1.040 579 V CA -0.530 61.836 62.300 0.110 0.000 0.866 579 V CB -0.046 31.753 31.823 -0.039 0.000 1.019 579 V HN 0.635 nan 8.190 nan 0.000 0.468 580 N N 4.493 123.301 118.700 0.180 0.000 2.714 580 N HA -0.229 4.384 4.740 -0.212 0.000 0.252 580 N C 1.160 176.730 175.510 0.100 0.000 1.014 580 N CA 1.075 54.214 53.050 0.147 0.000 0.735 580 N CB -0.887 37.724 38.487 0.207 0.000 0.924 580 N HN 1.299 nan 8.380 nan 0.000 0.540 581 G N -2.093 106.753 108.800 0.077 0.000 2.179 581 G HA2 -0.329 3.504 3.960 -0.212 0.000 0.260 581 G HA3 -0.329 3.504 3.960 -0.212 0.000 0.260 581 G C 0.097 175.027 174.900 0.050 0.000 0.977 581 G CA 0.355 45.489 45.100 0.055 0.000 0.641 581 G HN 0.405 nan 8.290 nan 0.000 0.533 582 L N 0.984 122.241 121.223 0.056 0.000 2.305 582 L HA 0.458 4.671 4.340 -0.212 0.000 0.281 582 L C 1.526 178.412 176.870 0.027 0.000 1.085 582 L CA -0.485 54.379 54.840 0.040 0.000 0.813 582 L CB 1.131 43.214 42.059 0.039 0.000 1.157 582 L HN 0.166 nan 8.230 nan 0.000 0.436 583 K N 2.895 123.306 120.400 0.019 0.000 2.358 583 K HA 0.223 4.416 4.320 -0.212 0.000 0.200 583 K C -0.410 176.188 176.600 -0.003 0.000 1.030 583 K CA -0.072 56.223 56.287 0.014 0.000 1.097 583 K CB 0.379 32.887 32.500 0.013 0.000 0.862 583 K HN 0.713 nan 8.250 nan 0.000 0.534 584 K N -0.620 119.775 120.400 -0.009 0.000 2.991 584 K HA 0.223 4.416 4.320 -0.212 0.000 0.309 584 K C -2.297 174.291 176.600 -0.020 0.000 1.122 584 K CA -0.714 55.553 56.287 -0.032 0.000 0.879 584 K CB 0.347 32.807 32.500 -0.067 0.000 1.418 584 K HN -0.145 nan 8.250 nan 0.000 0.369 585 D N 1.932 122.317 120.400 -0.026 0.000 2.616 585 D HA 0.339 4.852 4.640 -0.212 0.000 0.238 585 D C -2.237 174.054 176.300 -0.015 0.000 1.354 585 D CA -2.030 51.972 54.000 0.003 0.000 0.970 585 D CB 2.317 43.140 40.800 0.040 0.000 1.369 585 D HN 0.278 nan 8.370 nan 0.000 0.585 586 P HA -0.081 nan 4.420 nan 0.000 0.225 586 P C 1.234 178.532 177.300 -0.004 0.000 1.148 586 P CA 0.783 63.859 63.100 -0.040 0.000 0.779 586 P CB 0.227 31.912 31.700 -0.025 0.000 0.780 587 S N -1.302 114.428 115.700 0.050 0.000 2.595 587 S HA -0.029 4.313 4.470 -0.212 0.000 0.235 587 S C 1.576 176.269 174.600 0.155 0.000 0.974 587 S CA 0.666 58.930 58.200 0.107 0.000 0.942 587 S CB -1.313 61.971 63.200 0.139 0.000 0.766 587 S HN 0.138 nan 8.310 nan 0.000 0.536 588 L N 1.020 122.305 121.223 0.103 0.000 2.446 588 L HA 0.228 4.441 4.340 -0.212 0.000 0.219 588 L C 1.481 178.291 176.870 -0.100 0.000 1.116 588 L CA 0.085 54.999 54.840 0.123 0.000 0.844 588 L CB -0.217 41.922 42.059 0.132 0.000 0.970 588 L HN 0.328 nan 8.230 nan 0.000 0.457 589 S N -0.364 115.235 115.700 -0.168 0.000 2.584 589 S HA 0.272 4.615 4.470 -0.212 0.000 0.273 589 S C 1.081 175.565 174.600 -0.193 0.000 1.311 589 S CA -0.579 57.459 58.200 -0.269 0.000 1.034 589 S CB 1.271 64.311 63.200 -0.265 0.000 0.939 589 S HN 0.163 nan 8.310 nan 0.000 0.513 590 L N 3.126 124.154 121.223 -0.325 0.000 2.109 590 L HA 0.029 4.242 4.340 -0.212 0.000 0.207 590 L C 1.023 177.635 176.870 -0.430 0.000 1.086 590 L CA 1.109 55.665 54.840 -0.473 0.000 0.760 590 L CB -0.280 41.202 42.059 -0.963 0.000 0.910 590 L HN 0.760 nan 8.230 nan 0.000 0.437 591 Y N -1.954 118.336 120.300 -0.015 0.000 2.430 591 Y HA 0.321 4.744 4.550 -0.211 0.000 0.248 591 Y C 2.215 178.120 175.900 0.008 0.000 1.108 591 Y CA -0.192 57.940 58.100 0.053 0.000 1.264 591 Y CB -0.598 37.919 38.460 0.095 0.000 1.172 591 Y HN -0.020 nan 8.280 nan 0.000 0.520 592 A N 0.926 123.760 122.820 0.022 0.000 1.903 592 A HA -0.141 4.052 4.320 -0.212 0.000 0.219 592 A C 0.995 178.608 177.584 0.047 0.000 1.191 592 A CA 1.268 53.295 52.037 -0.017 0.000 0.638 592 A CB -0.920 18.023 19.000 -0.096 0.000 0.823 592 A HN 0.310 nan 8.150 nan 0.000 0.451 593 I N 1.648 122.254 120.570 0.060 0.000 2.330 593 I HA 0.231 4.274 4.170 -0.212 0.000 0.286 593 I C -2.339 173.845 176.117 0.113 0.000 1.025 593 I CA -2.322 59.022 61.300 0.074 0.000 1.197 593 I CB 1.420 39.455 38.000 0.057 0.000 1.358 593 I HN 0.093 nan 8.210 nan 0.000 0.467 594 P HA 0.004 nan 4.420 nan 0.000 0.264 594 P C -0.629 176.744 177.300 0.121 0.000 1.183 594 P CA 0.285 63.476 63.100 0.151 0.000 0.763 594 P CB 0.532 32.309 31.700 0.129 0.000 0.807 595 D N -0.148 120.332 120.400 0.133 0.000 2.640 595 D HA 0.167 4.680 4.640 -0.212 0.000 0.282 595 D C 0.712 177.071 176.300 0.099 0.000 1.558 595 D CA -0.615 53.446 54.000 0.102 0.000 0.820 595 D CB -0.543 40.314 40.800 0.094 0.000 1.243 595 D HN 0.333 nan 8.370 nan 0.000 0.456 596 G N 0.490 109.362 108.800 0.119 0.000 2.299 596 G HA2 0.320 4.153 3.960 -0.212 0.000 0.256 596 G HA3 0.320 4.153 3.960 -0.212 0.000 0.256 596 G C -0.687 174.255 174.900 0.071 0.000 1.259 596 G CA 0.036 45.202 45.100 0.110 0.000 0.943 596 G HN 0.181 nan 8.290 nan 0.000 0.479 597 D N 0.604 121.036 120.400 0.054 0.000 2.252 597 D HA 0.395 4.908 4.640 -0.212 0.000 0.245 597 D C 1.020 177.336 176.300 0.027 0.000 1.009 597 D CA -0.535 53.484 54.000 0.030 0.000 0.870 597 D CB 2.144 42.954 40.800 0.016 0.000 1.251 597 D HN 0.289 nan 8.370 nan 0.000 0.460 598 V N 0.425 120.345 119.914 0.010 0.000 3.661 598 V HA 0.324 4.316 4.120 -0.212 0.000 0.271 598 V C 0.865 176.946 176.094 -0.021 0.000 1.315 598 V CA -0.225 62.078 62.300 0.005 0.000 1.072 598 V CB -0.647 31.173 31.823 -0.004 0.000 0.830 598 V HN 0.416 nan 8.190 nan 0.000 0.443 599 K N 1.514 121.893 120.400 -0.035 0.000 2.447 599 K HA 0.388 4.581 4.320 -0.212 0.000 0.281 599 K C 1.242 177.814 176.600 -0.046 0.000 1.031 599 K CA 1.198 57.444 56.287 -0.068 0.000 1.019 599 K CB 0.142 32.604 32.500 -0.064 0.000 0.918 599 K HN 0.752 nan 8.250 nan 0.000 0.476 600 G N 3.140 111.897 108.800 -0.071 0.000 2.213 600 G HA2 -0.218 3.614 3.960 -0.212 0.000 0.226 600 G HA3 -0.218 3.614 3.960 -0.212 0.000 0.226 600 G C -0.007 174.963 174.900 0.116 0.000 0.992 600 G CA -0.158 44.978 45.100 0.060 0.000 0.632 600 G HN 0.568 nan 8.290 nan 0.000 0.511 601 R N -0.165 120.368 120.500 0.054 0.000 2.649 601 R HA 0.681 4.894 4.340 -0.212 0.000 0.270 601 R C 0.386 176.756 176.300 0.116 0.000 1.105 601 R CA -0.109 56.044 56.100 0.088 0.000 1.193 601 R CB 0.872 31.211 30.300 0.066 0.000 1.120 601 R HN 0.330 nan 8.270 nan 0.000 0.561 602 V N 0.688 120.682 119.914 0.132 0.000 2.735 602 V HA 0.528 4.521 4.120 -0.212 0.000 0.310 602 V C -0.722 175.435 176.094 0.105 0.000 1.061 602 V CA -0.908 61.479 62.300 0.145 0.000 0.913 602 V CB 2.250 34.171 31.823 0.163 0.000 1.005 602 V HN 0.340 nan 8.190 nan 0.000 0.428 603 V N 2.662 122.634 119.914 0.096 0.000 2.487 603 V HA 0.753 4.746 4.120 -0.212 0.000 0.298 603 V C 0.373 176.521 176.094 0.089 0.000 1.028 603 V CA -0.564 61.782 62.300 0.075 0.000 0.860 603 V CB 1.878 33.730 31.823 0.048 0.000 0.991 603 V HN 1.081 nan 8.190 nan 0.000 0.427 604 A N 6.205 129.087 122.820 0.102 0.000 2.363 604 A HA 0.782 4.974 4.320 -0.212 0.000 0.270 604 A C -0.473 177.132 177.584 0.035 0.000 1.121 604 A CA -0.138 51.955 52.037 0.093 0.000 0.800 604 A CB 0.105 19.200 19.000 0.159 0.000 1.052 604 A HN 0.771 nan 8.150 nan 0.000 0.493 605 I N 3.199 123.783 120.570 0.024 0.000 2.411 605 I HA 0.196 4.239 4.170 -0.212 0.000 0.284 605 I C -0.644 175.488 176.117 0.025 0.000 1.012 605 I CA -0.145 61.170 61.300 0.024 0.000 1.119 605 I CB 1.462 39.488 38.000 0.044 0.000 1.261 605 I HN 0.495 nan 8.210 nan 0.000 0.448 606 L N 7.197 128.418 121.223 -0.003 0.000 2.342 606 L HA 0.377 4.589 4.340 -0.212 0.000 0.285 606 L C 0.074 177.048 176.870 0.174 0.000 1.095 606 L CA -0.178 54.713 54.840 0.085 0.000 0.843 606 L CB -0.012 41.946 42.059 -0.168 0.000 1.201 606 L HN 0.443 nan 8.230 nan 0.000 0.445 607 L N 3.409 124.781 121.223 0.248 0.000 2.469 607 L HA 0.374 4.587 4.340 -0.212 0.000 0.253 607 L C 0.120 177.204 176.870 0.357 0.000 1.143 607 L CA -0.513 54.449 54.840 0.202 0.000 0.804 607 L CB 1.192 43.293 42.059 0.070 0.000 1.214 607 L HN 0.693 nan 8.230 nan 0.000 0.476 608 N N -2.409 116.418 118.700 0.212 0.000 2.629 608 N HA 0.192 4.805 4.740 -0.212 0.000 0.279 608 N C -0.229 175.315 175.510 0.056 0.000 1.344 608 N CA -0.712 52.508 53.050 0.283 0.000 0.789 608 N CB 0.815 39.435 38.487 0.221 0.000 1.508 608 N HN 0.537 nan 8.380 nan 0.000 0.516 609 D N -1.606 118.859 120.400 0.109 0.000 2.371 609 D HA -0.066 4.447 4.640 -0.212 0.000 0.221 609 D C -0.256 176.020 176.300 -0.040 0.000 0.986 609 D CA 1.014 54.992 54.000 -0.038 0.000 0.899 609 D CB -0.022 40.827 40.800 0.082 0.000 0.902 609 D HN 0.634 nan 8.370 nan 0.000 0.530 610 E N 0.125 120.321 120.200 -0.006 0.000 3.909 610 E HA 0.243 4.465 4.350 -0.212 0.000 0.236 610 E C -1.272 175.324 176.600 -0.008 0.000 1.222 610 E CA -0.467 55.925 56.400 -0.013 0.000 1.205 610 E CB 0.911 30.610 29.700 -0.002 0.000 1.249 610 E HN -0.094 nan 8.360 nan 0.000 0.411 611 V N 2.022 121.924 119.914 -0.020 0.000 2.599 611 V HA 0.082 4.075 4.120 -0.212 0.000 0.300 611 V C 0.849 176.933 176.094 -0.016 0.000 1.034 611 V CA 0.273 62.566 62.300 -0.010 0.000 1.115 611 V CB 0.641 32.453 31.823 -0.019 0.000 0.934 611 V HN 0.393 nan 8.190 nan 0.000 0.485 612 R N 3.474 123.965 120.500 -0.014 0.000 2.272 612 R HA 0.137 4.350 4.340 -0.212 0.000 0.334 612 R C 1.337 177.622 176.300 -0.025 0.000 1.117 612 R CA -0.075 56.012 56.100 -0.022 0.000 0.966 612 R CB 0.389 30.674 30.300 -0.026 0.000 1.049 612 R HN 0.893 nan 8.270 nan 0.000 0.477 613 S N 2.054 117.740 115.700 -0.023 0.000 2.440 613 S HA -0.258 4.084 4.470 -0.212 0.000 0.240 613 S C 2.037 176.624 174.600 -0.022 0.000 1.014 613 S CA 1.207 59.395 58.200 -0.021 0.000 0.980 613 S CB -0.022 63.167 63.200 -0.019 0.000 0.775 613 S HN 0.750 nan 8.310 nan 0.000 0.499 614 A N 2.690 125.494 122.820 -0.027 0.000 1.883 614 A HA -0.206 3.987 4.320 -0.212 0.000 0.217 614 A C 1.957 179.519 177.584 -0.038 0.000 1.186 614 A CA 1.705 53.724 52.037 -0.031 0.000 0.624 614 A CB -0.683 18.295 19.000 -0.037 0.000 0.822 614 A HN 0.485 nan 8.150 nan 0.000 0.444 615 D N -0.044 120.326 120.400 -0.051 0.000 2.084 615 D HA -0.131 4.381 4.640 -0.212 0.000 0.194 615 D C 2.022 178.307 176.300 -0.025 0.000 0.990 615 D CA 1.268 55.229 54.000 -0.065 0.000 0.826 615 D CB -0.314 40.437 40.800 -0.081 0.000 0.971 615 D HN 0.408 nan 8.370 nan 0.000 0.453 616 L N 0.771 121.986 121.223 -0.012 0.000 2.079 616 L HA -0.176 4.037 4.340 -0.212 0.000 0.210 616 L C 2.680 179.554 176.870 0.007 0.000 1.081 616 L CA 0.605 55.448 54.840 0.004 0.000 0.752 616 L CB -0.304 41.755 42.059 0.001 0.000 0.896 616 L HN 0.056 nan 8.230 nan 0.000 0.433 617 L N -0.589 120.633 121.223 -0.001 0.000 1.989 617 L HA -0.246 3.967 4.340 -0.212 0.000 0.211 617 L C 2.852 179.727 176.870 0.009 0.000 1.071 617 L CA 1.507 56.348 54.840 0.002 0.000 0.749 617 L CB -0.748 41.309 42.059 -0.004 0.000 0.890 617 L HN 0.247 nan 8.230 nan 0.000 0.431 618 A N -0.067 122.757 122.820 0.007 0.000 1.933 618 A HA -0.177 4.016 4.320 -0.212 0.000 0.218 618 A C 2.207 179.815 177.584 0.040 0.000 1.175 618 A CA 1.583 53.631 52.037 0.018 0.000 0.628 618 A CB -0.675 18.328 19.000 0.005 0.000 0.814 618 A HN 0.374 nan 8.150 nan 0.000 0.444 619 I N -0.426 120.172 120.570 0.047 0.000 2.133 619 I HA -0.248 3.795 4.170 -0.212 0.000 0.238 619 I C 2.378 178.524 176.117 0.049 0.000 1.074 619 I CA 1.268 62.611 61.300 0.072 0.000 1.342 619 I CB -0.457 37.593 38.000 0.083 0.000 1.053 619 I HN 0.271 nan 8.210 nan 0.000 0.404 620 L N 0.519 121.763 121.223 0.036 0.000 2.127 620 L HA -0.244 3.969 4.340 -0.212 0.000 0.211 620 L C 2.611 179.494 176.870 0.020 0.000 1.089 620 L CA 1.428 56.285 54.840 0.028 0.000 0.757 620 L CB -0.610 41.465 42.059 0.025 0.000 0.899 620 L HN 0.261 nan 8.230 nan 0.000 0.434 621 K N 0.220 120.631 120.400 0.019 0.000 2.057 621 K HA -0.128 4.065 4.320 -0.212 0.000 0.206 621 K C 2.176 178.783 176.600 0.011 0.000 1.050 621 K CA 1.200 57.495 56.287 0.013 0.000 0.935 621 K CB -0.038 32.469 32.500 0.012 0.000 0.715 621 K HN 0.266 nan 8.250 nan 0.000 0.439 622 A N 1.042 123.874 122.820 0.020 0.000 1.969 622 A HA -0.069 4.124 4.320 -0.212 0.000 0.218 622 A C 2.024 179.610 177.584 0.004 0.000 1.169 622 A CA 0.935 52.983 52.037 0.018 0.000 0.635 622 A CB -0.389 18.632 19.000 0.035 0.000 0.810 622 A HN 0.249 nan 8.150 nan 0.000 0.445 623 L N -0.716 120.509 121.223 0.005 0.000 2.044 623 L HA -0.157 4.056 4.340 -0.212 0.000 0.205 623 L C 2.626 179.472 176.870 -0.041 0.000 1.075 623 L CA 1.890 56.721 54.840 -0.015 0.000 0.747 623 L CB -0.434 41.625 42.059 0.001 0.000 0.903 623 L HN 0.490 nan 8.230 nan 0.000 0.435 624 K N 0.664 121.048 120.400 -0.026 0.000 2.097 624 K HA -0.178 4.015 4.320 -0.212 0.000 0.206 624 K C 2.030 178.606 176.600 -0.040 0.000 1.049 624 K CA 1.351 57.617 56.287 -0.035 0.000 0.933 624 K CB -0.076 32.419 32.500 -0.009 0.000 0.717 624 K HN 0.249 nan 8.250 nan 0.000 0.442 625 A N 0.983 123.788 122.820 -0.026 0.000 2.019 625 A HA -0.094 4.098 4.320 -0.212 0.000 0.219 625 A C 1.562 179.126 177.584 -0.033 0.000 1.164 625 A CA 1.273 53.297 52.037 -0.023 0.000 0.644 625 A CB -0.119 18.874 19.000 -0.011 0.000 0.805 625 A HN 0.214 nan 8.150 nan 0.000 0.449 626 K N -1.506 118.867 120.400 -0.045 0.000 2.373 626 K HA 0.220 4.412 4.320 -0.212 0.000 0.202 626 K C 0.834 177.383 176.600 -0.085 0.000 1.025 626 K CA 0.567 56.823 56.287 -0.052 0.000 1.115 626 K CB 0.314 32.791 32.500 -0.040 0.000 0.858 626 K HN 0.644 nan 8.250 nan 0.000 0.525 627 G N 1.698 110.427 108.800 -0.119 0.000 2.160 627 G HA2 -0.226 3.607 3.960 -0.212 0.000 0.251 627 G HA3 -0.226 3.607 3.960 -0.212 0.000 0.251 627 G C 0.066 174.761 174.900 -0.342 0.000 1.008 627 G CA 0.131 45.111 45.100 -0.200 0.000 0.724 627 G HN 0.117 nan 8.290 nan 0.000 0.514 628 V N 0.685 120.437 119.914 -0.270 0.000 2.481 628 V HA 0.533 4.525 4.120 -0.212 0.000 0.286 628 V C 0.725 176.648 176.094 -0.286 0.000 1.042 628 V CA -0.733 61.419 62.300 -0.248 0.000 0.928 628 V CB 1.220 32.987 31.823 -0.094 0.000 0.986 628 V HN 0.445 nan 8.190 nan 0.000 0.462 629 H N 1.697 120.779 119.070 0.020 0.000 2.495 629 H HA 0.790 5.218 4.556 -0.212 0.000 0.350 629 H C 0.141 175.489 175.328 0.033 0.000 1.202 629 H CA 0.021 56.084 56.048 0.024 0.000 1.322 629 H CB 1.337 31.115 29.762 0.027 0.000 1.544 629 H HN 0.846 nan 8.280 nan 0.000 0.565 630 A N 1.125 124.051 122.820 0.177 0.000 2.414 630 A HA 0.512 4.705 4.320 -0.212 0.000 0.306 630 A C -1.128 176.515 177.584 0.099 0.000 1.054 630 A CA -1.072 51.032 52.037 0.112 0.000 0.724 630 A CB 1.043 20.091 19.000 0.079 0.000 1.267 630 A HN 0.774 nan 8.150 nan 0.000 0.418 631 K N 2.335 122.788 120.400 0.088 0.000 2.323 631 K HA 0.705 4.898 4.320 -0.212 0.000 0.259 631 K C -1.512 175.123 176.600 0.058 0.000 0.947 631 K CA -0.477 55.854 56.287 0.074 0.000 0.819 631 K CB 1.593 34.146 32.500 0.088 0.000 1.109 631 K HN 0.482 nan 8.250 nan 0.000 0.429 632 L N 4.335 125.583 121.223 0.042 0.000 2.260 632 L HA 0.301 4.514 4.340 -0.212 0.000 0.289 632 L C -0.786 176.099 176.870 0.024 0.000 1.057 632 L CA -1.026 53.832 54.840 0.031 0.000 0.811 632 L CB 0.550 42.618 42.059 0.016 0.000 1.184 632 L HN 0.466 nan 8.230 nan 0.000 0.429 633 L N 4.315 125.558 121.223 0.034 0.000 2.319 633 L HA 0.620 4.833 4.340 -0.212 0.000 0.267 633 L C -0.540 176.291 176.870 -0.066 0.000 1.011 633 L CA -0.579 54.252 54.840 -0.015 0.000 0.818 633 L CB 1.562 43.636 42.059 0.026 0.000 1.316 633 L HN 0.381 nan 8.230 nan 0.000 0.432 634 Y N -1.106 118.842 120.300 -0.586 0.000 2.853 634 Y HA 0.239 4.661 4.550 -0.212 0.000 0.326 634 Y C 0.894 176.156 175.900 -1.063 0.000 1.384 634 Y CA -0.244 57.381 58.100 -0.791 0.000 1.077 634 Y CB 1.212 39.495 38.460 -0.296 0.000 1.395 634 Y HN 0.557 nan 8.280 nan 0.000 0.451 635 S N 0.785 115.684 115.700 -1.335 0.000 2.515 635 S HA 0.139 4.482 4.470 -0.212 0.000 0.231 635 S C 0.145 174.497 174.600 -0.413 0.000 0.987 635 S CA 0.801 58.516 58.200 -0.808 0.000 0.936 635 S CB -0.353 62.414 63.200 -0.721 0.000 0.766 635 S HN 0.621 nan 8.310 nan 0.000 0.528 636 R N -1.566 118.780 120.500 -0.257 0.000 2.766 636 R HA 0.631 4.843 4.340 -0.212 0.000 0.270 636 R C -0.783 175.523 176.300 0.009 0.000 1.035 636 R CA -1.138 54.919 56.100 -0.072 0.000 0.911 636 R CB 0.451 30.748 30.300 -0.004 0.000 1.243 636 R HN -0.082 nan 8.270 nan 0.000 0.460 637 M N 0.149 119.752 119.600 0.004 0.000 2.114 637 M HA 0.470 4.823 4.480 -0.212 0.000 0.280 637 M C 1.060 177.374 176.300 0.023 0.000 1.209 637 M CA 1.106 56.412 55.300 0.010 0.000 1.044 637 M CB 0.484 33.083 32.600 -0.001 0.000 1.404 637 M HN 1.040 nan 8.290 nan 0.000 0.499 638 G N 0.800 109.605 108.800 0.008 0.000 2.709 638 G HA2 -0.114 3.719 3.960 -0.212 0.000 0.228 638 G HA3 -0.114 3.719 3.960 -0.212 0.000 0.228 638 G C -0.821 174.067 174.900 -0.019 0.000 1.215 638 G CA 0.093 45.192 45.100 -0.001 0.000 1.003 638 G HN 0.941 nan 8.290 nan 0.000 0.584 639 E N -1.354 118.823 120.200 -0.039 0.000 2.412 639 E HA 0.644 4.867 4.350 -0.212 0.000 0.279 639 E C -0.613 175.906 176.600 -0.134 0.000 0.984 639 E CA -0.669 55.684 56.400 -0.077 0.000 0.788 639 E CB 2.328 31.994 29.700 -0.057 0.000 1.277 639 E HN 1.679 nan 8.360 nan 0.000 0.455 640 V N -1.803 117.992 119.914 -0.199 0.000 2.960 640 V HA 0.775 4.767 4.120 -0.212 0.000 0.315 640 V C -0.515 175.485 176.094 -0.156 0.000 1.087 640 V CA -0.630 61.514 62.300 -0.261 0.000 0.982 640 V CB 1.742 33.282 31.823 -0.473 0.000 1.039 640 V HN 0.766 nan 8.190 nan 0.000 0.437 641 T N 2.404 116.882 114.554 -0.126 0.000 2.792 641 T HA 0.787 5.010 4.350 -0.212 0.000 0.280 641 T C 0.241 174.898 174.700 -0.071 0.000 0.990 641 T CA 0.199 62.251 62.100 -0.080 0.000 0.960 641 T CB 1.377 70.212 68.868 -0.055 0.000 0.939 641 T HN 1.352 nan 8.240 nan 0.000 0.439 642 A N 2.255 125.041 122.820 -0.057 0.000 2.327 642 A HA 0.376 4.569 4.320 -0.212 0.000 0.255 642 A C 1.586 179.150 177.584 -0.032 0.000 1.099 642 A CA -0.358 51.652 52.037 -0.044 0.000 0.801 642 A CB 0.084 19.062 19.000 -0.035 0.000 1.062 642 A HN 0.925 nan 8.150 nan 0.000 0.496 643 D N 0.228 120.613 120.400 -0.026 0.000 2.182 643 D HA -0.212 4.300 4.640 -0.212 0.000 0.201 643 D C 0.673 176.962 176.300 -0.019 0.000 0.986 643 D CA 1.690 55.678 54.000 -0.020 0.000 0.847 643 D CB -0.332 40.458 40.800 -0.017 0.000 0.942 643 D HN 0.626 nan 8.370 nan 0.000 0.467 644 D N -1.282 119.107 120.400 -0.019 0.000 2.336 644 D HA 0.187 4.699 4.640 -0.212 0.000 0.228 644 D C 1.470 177.760 176.300 -0.017 0.000 1.120 644 D CA 0.435 54.425 54.000 -0.017 0.000 0.839 644 D CB -0.115 40.675 40.800 -0.015 0.000 0.932 644 D HN 0.418 nan 8.370 nan 0.000 0.509 645 G N 0.268 109.056 108.800 -0.021 0.000 2.175 645 G HA2 -0.260 3.573 3.960 -0.212 0.000 0.244 645 G HA3 -0.260 3.573 3.960 -0.212 0.000 0.244 645 G C 0.391 175.278 174.900 -0.023 0.000 0.982 645 G CA 0.214 45.302 45.100 -0.021 0.000 0.641 645 G HN 0.422 nan 8.290 nan 0.000 0.527 646 T N 1.210 115.749 114.554 -0.024 0.000 2.853 646 T HA 0.409 4.632 4.350 -0.212 0.000 0.298 646 T C 0.585 175.265 174.700 -0.033 0.000 0.978 646 T CA -0.043 62.042 62.100 -0.024 0.000 1.152 646 T CB 2.325 71.180 68.868 -0.022 0.000 0.914 646 T HN 0.386 nan 8.240 nan 0.000 0.539 647 V N 5.803 125.699 119.914 -0.030 0.000 2.455 647 V HA 0.240 4.233 4.120 -0.212 0.000 0.273 647 V C 0.078 176.148 176.094 -0.040 0.000 1.045 647 V CA -0.322 61.955 62.300 -0.037 0.000 0.976 647 V CB 0.287 32.093 31.823 -0.030 0.000 0.993 647 V HN 0.654 nan 8.190 nan 0.000 0.475 648 L N 9.100 130.288 121.223 -0.057 0.000 2.276 648 L HA 0.457 4.669 4.340 -0.212 0.000 0.286 648 L C -2.364 174.470 176.870 -0.060 0.000 1.024 648 L CA -1.900 52.907 54.840 -0.056 0.000 0.826 648 L CB 1.550 43.566 42.059 -0.071 0.000 1.211 648 L HN 0.429 nan 8.230 nan 0.000 0.422 649 P HA 0.192 nan 4.420 nan 0.000 0.276 649 P C -0.404 176.879 177.300 -0.027 0.000 1.243 649 P CA 0.073 63.156 63.100 -0.029 0.000 0.768 649 P CB 0.658 32.350 31.700 -0.013 0.000 0.856 650 I N 2.541 123.095 120.570 -0.028 0.000 2.352 650 I HA 0.190 4.233 4.170 -0.212 0.000 0.290 650 I C 1.520 177.634 176.117 -0.004 0.000 1.036 650 I CA -0.284 61.006 61.300 -0.018 0.000 1.336 650 I CB 1.347 39.340 38.000 -0.012 0.000 1.407 650 I HN 0.373 nan 8.210 nan 0.000 0.497 651 A N 5.401 128.223 122.820 0.004 0.000 1.898 651 A HA 0.506 4.699 4.320 -0.212 0.000 0.214 651 A C 1.030 178.622 177.584 0.014 0.000 1.183 651 A CA 1.329 53.374 52.037 0.014 0.000 0.622 651 A CB 0.027 19.043 19.000 0.026 0.000 0.824 651 A HN 0.799 nan 8.150 nan 0.000 0.444 652 A N -2.151 120.673 122.820 0.007 0.000 2.493 652 A HA 0.605 4.798 4.320 -0.212 0.000 0.300 652 A C -0.019 177.537 177.584 -0.047 0.000 1.152 652 A CA 0.170 52.208 52.037 0.002 0.000 0.643 652 A CB -0.210 18.812 19.000 0.036 0.000 1.316 652 A HN 0.755 nan 8.150 nan 0.000 0.469 653 T N -2.219 112.303 114.554 -0.054 0.000 2.897 653 T HA 0.579 4.802 4.350 -0.212 0.000 0.278 653 T C 0.646 175.323 174.700 -0.037 0.000 0.981 653 T CA -0.153 61.849 62.100 -0.163 0.000 0.973 653 T CB 0.134 68.923 68.868 -0.132 0.000 1.092 653 T HN 0.450 nan 8.240 nan 0.000 0.543 654 F N 0.604 120.572 119.950 0.031 0.000 2.126 654 F HA 0.094 4.494 4.527 -0.212 0.000 0.299 654 F C 2.871 178.805 175.800 0.223 0.000 1.096 654 F CA 1.188 59.255 58.000 0.112 0.000 1.255 654 F CB -1.449 37.584 39.000 0.055 0.000 0.997 654 F HN 0.747 nan 8.300 nan 0.000 0.479 655 A N -0.076 122.913 122.820 0.281 0.000 2.021 655 A HA 0.175 4.367 4.320 -0.212 0.000 0.216 655 A C 2.520 180.176 177.584 0.119 0.000 1.163 655 A CA 1.201 53.345 52.037 0.178 0.000 0.676 655 A CB -1.398 17.666 19.000 0.106 0.000 0.818 655 A HN 0.377 nan 8.150 nan 0.000 0.453 656 G N -0.818 108.040 108.800 0.096 0.000 2.448 656 G HA2 0.282 4.115 3.960 -0.212 0.000 0.218 656 G HA3 0.282 4.115 3.960 -0.212 0.000 0.218 656 G C 0.648 175.599 174.900 0.085 0.000 1.135 656 G CA 0.965 46.103 45.100 0.064 0.000 0.784 656 G HN 1.049 nan 8.290 nan 0.000 0.543 657 A N 1.144 124.050 122.820 0.144 0.000 3.216 657 A HA 0.647 4.840 4.320 -0.212 0.000 0.321 657 A C -2.445 175.295 177.584 0.260 0.000 1.042 657 A CA -1.146 50.989 52.037 0.165 0.000 0.838 657 A CB 1.119 20.217 19.000 0.163 0.000 1.136 657 A HN 0.145 nan 8.150 nan 0.000 0.483 658 P HA -0.016 nan 4.420 nan 0.000 0.270 658 P C 1.187 178.342 177.300 -0.242 0.000 1.227 658 P CA 0.538 63.610 63.100 -0.047 0.000 0.788 658 P CB 0.782 32.444 31.700 -0.062 0.000 0.926 659 S N 0.779 115.965 115.700 -0.857 0.000 2.469 659 S HA -0.132 4.211 4.470 -0.212 0.000 0.238 659 S C 1.941 176.390 174.600 -0.252 0.000 0.998 659 S CA 0.746 58.556 58.200 -0.650 0.000 0.957 659 S CB -1.219 61.462 63.200 -0.866 0.000 0.764 659 S HN 0.380 nan 8.310 nan 0.000 0.514 660 L N 1.869 122.956 121.223 -0.227 0.000 2.079 660 L HA -0.110 4.103 4.340 -0.212 0.000 0.210 660 L C 3.064 179.776 176.870 -0.264 0.000 1.081 660 L CA 1.715 56.420 54.840 -0.224 0.000 0.752 660 L CB -1.467 40.441 42.059 -0.251 0.000 0.896 660 L HN 0.627 nan 8.230 nan 0.000 0.433 661 T N -3.019 111.446 114.554 -0.149 0.000 3.085 661 T HA 0.105 4.328 4.350 -0.212 0.000 0.263 661 T C 0.547 175.331 174.700 0.139 0.000 1.127 661 T CA 0.334 62.435 62.100 0.001 0.000 1.103 661 T CB -0.540 68.403 68.868 0.126 0.000 0.921 661 T HN 0.181 nan 8.240 nan 0.000 0.510 662 V N -2.259 117.703 119.914 0.081 0.000 3.166 662 V HA 0.555 4.548 4.120 -0.212 0.000 0.317 662 V C 0.117 176.254 176.094 0.071 0.000 1.136 662 V CA -0.960 61.410 62.300 0.117 0.000 1.035 662 V CB 1.936 33.843 31.823 0.139 0.000 1.110 662 V HN -0.014 nan 8.190 nan 0.000 0.450 663 D N 0.719 121.163 120.400 0.074 0.000 2.366 663 D HA 0.489 5.002 4.640 -0.212 0.000 0.205 663 D C 0.526 176.810 176.300 -0.026 0.000 1.022 663 D CA 1.446 55.463 54.000 0.029 0.000 0.868 663 D CB 1.455 42.294 40.800 0.066 0.000 0.953 663 D HN 0.953 nan 8.370 nan 0.000 0.514 664 A N 0.016 122.838 122.820 0.004 0.000 2.601 664 A HA 0.533 4.726 4.320 -0.212 0.000 0.291 664 A C -1.664 175.937 177.584 0.029 0.000 1.075 664 A CA -0.545 51.481 52.037 -0.018 0.000 0.671 664 A CB 1.497 20.476 19.000 -0.036 0.000 1.277 664 A HN -0.113 nan 8.150 nan 0.000 0.417 665 V N 1.299 121.222 119.914 0.016 0.000 2.525 665 V HA 0.501 4.493 4.120 -0.212 0.000 0.299 665 V C -0.700 175.398 176.094 0.006 0.000 1.034 665 V CA -0.147 62.176 62.300 0.039 0.000 0.863 665 V CB 1.319 33.183 31.823 0.069 0.000 0.999 665 V HN 0.690 nan 8.190 nan 0.000 0.423 666 I N 4.346 124.928 120.570 0.021 0.000 2.412 666 I HA 0.612 4.655 4.170 -0.212 0.000 0.296 666 I C -0.637 175.508 176.117 0.047 0.000 0.987 666 I CA -1.039 60.296 61.300 0.058 0.000 1.180 666 I CB 2.073 40.142 38.000 0.116 0.000 1.340 666 I HN 0.258 nan 8.210 nan 0.000 0.455 667 V N 7.061 127.023 119.914 0.080 0.000 2.325 667 V HA 0.335 4.328 4.120 -0.212 0.000 0.280 667 V C -2.060 174.098 176.094 0.107 0.000 1.016 667 V CA -1.423 60.914 62.300 0.060 0.000 0.818 667 V CB 1.231 33.073 31.823 0.031 0.000 1.019 667 V HN 0.617 nan 8.190 nan 0.000 0.434 668 P HA 0.247 nan 4.420 nan 0.000 0.277 668 P C 0.102 177.425 177.300 0.038 0.000 1.271 668 P CA -0.295 62.829 63.100 0.040 0.000 0.795 668 P CB 1.492 33.209 31.700 0.029 0.000 1.101 669 C N -0.497 118.801 119.300 -0.004 0.000 2.574 669 C HA 0.769 5.102 4.460 -0.212 0.000 0.335 669 C C 1.173 176.172 174.990 0.014 0.000 1.493 669 C CA 1.473 60.493 59.018 0.003 0.000 2.217 669 C CB -0.446 27.276 27.740 -0.031 0.000 2.056 669 C HN 0.945 nan 8.230 nan 0.000 0.607 670 G N 1.622 110.429 108.800 0.012 0.000 2.236 670 G HA2 -0.001 3.832 3.960 -0.212 0.000 0.231 670 G HA3 -0.001 3.832 3.960 -0.212 0.000 0.231 670 G C -0.966 173.948 174.900 0.024 0.000 1.334 670 G CA 0.033 45.142 45.100 0.015 0.000 1.137 670 G HN 1.007 nan 8.290 nan 0.000 0.482 671 N N 1.692 120.414 118.700 0.036 0.000 2.807 671 N HA 0.257 4.869 4.740 -0.212 0.000 0.259 671 N C 1.649 177.196 175.510 0.061 0.000 1.149 671 N CA -0.490 52.583 53.050 0.039 0.000 1.042 671 N CB -0.129 38.382 38.487 0.039 0.000 1.367 671 N HN 0.406 nan 8.380 nan 0.000 0.516 672 I N 1.575 122.169 120.570 0.039 0.000 2.454 672 I HA -0.200 3.843 4.170 -0.212 0.000 0.254 672 I C 2.023 178.148 176.117 0.013 0.000 1.156 672 I CA 0.728 62.051 61.300 0.037 0.000 1.433 672 I CB -1.536 36.443 38.000 -0.034 0.000 1.082 672 I HN 0.544 nan 8.210 nan 0.000 0.432 673 A N 0.623 123.442 122.820 -0.003 0.000 1.978 673 A HA -0.282 3.911 4.320 -0.212 0.000 0.220 673 A C 2.086 179.690 177.584 0.033 0.000 1.170 673 A CA 2.096 54.129 52.037 -0.007 0.000 0.636 673 A CB -0.755 18.241 19.000 -0.007 0.000 0.810 673 A HN 0.437 nan 8.150 nan 0.000 0.448 674 D N 0.149 120.592 120.400 0.072 0.000 2.178 674 D HA -0.129 4.383 4.640 -0.212 0.000 0.201 674 D C 1.474 177.850 176.300 0.127 0.000 0.980 674 D CA 1.655 55.718 54.000 0.106 0.000 0.842 674 D CB -0.197 40.696 40.800 0.156 0.000 0.948 674 D HN 0.649 nan 8.370 nan 0.000 0.472 675 I N -4.233 116.435 120.570 0.164 0.000 4.227 675 I HA 0.493 4.536 4.170 -0.212 0.000 0.334 675 I C 1.828 178.086 176.117 0.236 0.000 1.341 675 I CA -0.144 61.287 61.300 0.219 0.000 1.123 675 I CB 0.241 38.426 38.000 0.308 0.000 1.097 675 I HN -0.090 nan 8.210 nan 0.000 0.399 676 A N 1.376 124.261 122.820 0.107 0.000 1.969 676 A HA -0.127 4.066 4.320 -0.212 0.000 0.218 676 A C 1.899 179.495 177.584 0.020 0.000 1.169 676 A CA 1.802 53.812 52.037 -0.045 0.000 0.635 676 A CB -0.501 18.390 19.000 -0.182 0.000 0.810 676 A HN 0.490 nan 8.150 nan 0.000 0.445 677 D N -0.537 119.886 120.400 0.038 0.000 2.348 677 D HA -0.041 4.472 4.640 -0.212 0.000 0.211 677 D C 0.208 176.542 176.300 0.058 0.000 0.998 677 D CA -0.028 53.992 54.000 0.034 0.000 0.873 677 D CB -0.100 40.713 40.800 0.021 0.000 0.925 677 D HN 0.334 nan 8.370 nan 0.000 0.524 678 N N 1.227 119.979 118.700 0.088 0.000 2.416 678 N HA -0.006 4.607 4.740 -0.212 0.000 0.265 678 N C 1.228 176.791 175.510 0.088 0.000 1.195 678 N CA -0.001 53.105 53.050 0.095 0.000 0.943 678 N CB 1.433 40.004 38.487 0.140 0.000 1.115 678 N HN -0.025 nan 8.380 nan 0.000 0.481 679 G N 3.269 112.113 108.800 0.073 0.000 2.442 679 G HA2 -0.245 3.588 3.960 -0.212 0.000 0.219 679 G HA3 -0.245 3.588 3.960 -0.212 0.000 0.219 679 G C 1.019 175.974 174.900 0.092 0.000 1.141 679 G CA 0.556 45.699 45.100 0.071 0.000 0.763 679 G HN 0.656 nan 8.290 nan 0.000 0.554 680 D N 1.033 121.498 120.400 0.108 0.000 2.144 680 D HA -0.048 4.465 4.640 -0.212 0.000 0.200 680 D C 2.841 179.164 176.300 0.039 0.000 0.978 680 D CA 1.103 55.199 54.000 0.160 0.000 0.833 680 D CB -0.141 40.817 40.800 0.263 0.000 0.961 680 D HN 0.346 nan 8.370 nan 0.000 0.470 681 A N 1.601 124.311 122.820 -0.184 0.000 1.902 681 A HA -0.182 4.010 4.320 -0.212 0.000 0.217 681 A C 2.048 179.399 177.584 -0.389 0.000 1.181 681 A CA 1.182 52.820 52.037 -0.665 0.000 0.623 681 A CB -0.371 18.293 19.000 -0.561 0.000 0.818 681 A HN 0.110 nan 8.150 nan 0.000 0.443 682 N N -1.501 117.135 118.700 -0.106 0.000 2.142 682 N HA -0.155 4.458 4.740 -0.212 0.000 0.186 682 N C 1.640 177.132 175.510 -0.029 0.000 1.023 682 N CA 1.611 54.646 53.050 -0.025 0.000 0.852 682 N CB -0.517 38.035 38.487 0.108 0.000 0.998 682 N HN 0.613 nan 8.380 nan 0.000 0.424 683 Y N 0.754 121.015 120.300 -0.064 0.000 2.224 683 Y HA -0.242 4.180 4.550 -0.212 0.000 0.289 683 Y C 2.294 178.145 175.900 -0.082 0.000 1.146 683 Y CA 1.257 59.321 58.100 -0.061 0.000 1.182 683 Y CB -0.649 37.787 38.460 -0.040 0.000 0.983 683 Y HN 0.056 nan 8.280 nan 0.000 0.524 684 Y N 0.072 120.250 120.300 -0.202 0.000 2.114 684 Y HA -0.304 4.119 4.550 -0.212 0.000 0.282 684 Y C 2.119 177.820 175.900 -0.333 0.000 1.165 684 Y CA 2.258 60.201 58.100 -0.262 0.000 1.148 684 Y CB -0.455 37.834 38.460 -0.286 0.000 0.972 684 Y HN 0.139 nan 8.280 nan 0.000 0.504 685 L N -1.380 119.758 121.223 -0.141 0.000 2.179 685 L HA -0.175 4.038 4.340 -0.212 0.000 0.208 685 L C 2.327 179.077 176.870 -0.200 0.000 1.096 685 L CA 0.864 55.604 54.840 -0.167 0.000 0.779 685 L CB -0.385 41.531 42.059 -0.239 0.000 0.922 685 L HN 0.250 nan 8.230 nan 0.000 0.443 686 M N -0.474 118.958 119.600 -0.278 0.000 2.175 686 M HA -0.208 4.145 4.480 -0.212 0.000 0.264 686 M C 2.227 178.299 176.300 -0.380 0.000 1.063 686 M CA 1.654 56.791 55.300 -0.271 0.000 1.119 686 M CB -0.198 32.241 32.600 -0.268 0.000 1.377 686 M HN 0.190 nan 8.290 nan 0.000 0.415 687 E N 0.395 120.204 120.200 -0.653 0.000 2.028 687 E HA -0.192 4.031 4.350 -0.212 0.000 0.191 687 E C 1.984 178.226 176.600 -0.597 0.000 0.988 687 E CA 1.369 57.313 56.400 -0.761 0.000 0.799 687 E CB -0.054 29.152 29.700 -0.823 0.000 0.755 687 E HN 0.456 nan 8.360 nan 0.000 0.447 688 A N 0.226 122.808 122.820 -0.395 0.000 1.908 688 A HA -0.230 3.963 4.320 -0.212 0.000 0.218 688 A C 2.084 179.564 177.584 -0.173 0.000 1.181 688 A CA 1.682 53.578 52.037 -0.235 0.000 0.627 688 A CB -1.003 17.914 19.000 -0.137 0.000 0.818 688 A HN 0.591 nan 8.150 nan 0.000 0.445 689 Y N 0.514 120.655 120.300 -0.264 0.000 2.114 689 Y HA -0.216 4.207 4.550 -0.212 0.000 0.284 689 Y C 2.435 178.208 175.900 -0.211 0.000 1.143 689 Y CA 2.394 60.368 58.100 -0.210 0.000 1.135 689 Y CB -0.290 38.063 38.460 -0.179 0.000 0.980 689 Y HN 0.330 nan 8.280 nan 0.000 0.499 690 K N -0.588 119.694 120.400 -0.196 0.000 2.103 690 K HA -0.245 3.948 4.320 -0.212 0.000 0.207 690 K C 1.160 177.645 176.600 -0.193 0.000 1.048 690 K CA 2.116 58.261 56.287 -0.237 0.000 0.930 690 K CB -0.508 31.820 32.500 -0.288 0.000 0.716 690 K HN 0.600 nan 8.250 nan 0.000 0.444 691 H N 0.406 119.351 119.070 -0.210 0.000 2.547 691 H HA 0.162 4.591 4.556 -0.211 0.000 0.274 691 H C 0.061 175.222 175.328 -0.279 0.000 1.024 691 H CA 0.230 56.149 56.048 -0.215 0.000 1.155 691 H CB 0.062 29.695 29.762 -0.214 0.000 1.344 691 H HN 0.142 nan 8.280 nan 0.000 0.598 692 L N -0.131 120.939 121.223 -0.255 0.000 4.291 692 L HA -0.281 3.932 4.340 -0.212 0.000 0.413 692 L C -0.358 176.250 176.870 -0.436 0.000 1.162 692 L CA 0.593 55.193 54.840 -0.401 0.000 0.961 692 L CB -1.750 40.058 42.059 -0.419 0.000 2.095 692 L HN 0.313 nan 8.230 nan 0.000 0.838 693 K N 0.859 121.069 120.400 -0.316 0.000 2.144 693 K HA 0.484 4.677 4.320 -0.212 0.000 0.270 693 K C -2.172 174.293 176.600 -0.225 0.000 1.005 693 K CA -1.807 54.312 56.287 -0.280 0.000 0.932 693 K CB 0.550 32.938 32.500 -0.187 0.000 1.021 693 K HN -0.199 nan 8.250 nan 0.000 0.462 694 P HA 0.083 nan 4.420 nan 0.000 0.268 694 P C -0.777 176.458 177.300 -0.109 0.000 1.204 694 P CA 0.229 63.229 63.100 -0.166 0.000 0.768 694 P CB 0.432 32.031 31.700 -0.168 0.000 0.842 695 I N 1.962 122.484 120.570 -0.080 0.000 2.509 695 I HA 0.622 4.665 4.170 -0.212 0.000 0.293 695 I C -0.314 175.759 176.117 -0.074 0.000 1.020 695 I CA -0.653 60.617 61.300 -0.049 0.000 1.088 695 I CB 2.064 40.063 38.000 -0.002 0.000 1.267 695 I HN 0.271 nan 8.210 nan 0.000 0.430 696 A N 7.522 130.302 122.820 -0.066 0.000 2.359 696 A HA 0.839 5.032 4.320 -0.212 0.000 0.303 696 A C -1.171 176.505 177.584 0.154 0.000 1.066 696 A CA -0.437 51.536 52.037 -0.107 0.000 0.730 696 A CB 0.902 19.638 19.000 -0.441 0.000 1.211 696 A HN 0.639 nan 8.150 nan 0.000 0.439 697 L N 2.237 123.614 121.223 0.256 0.000 2.333 697 L HA 0.751 4.964 4.340 -0.212 0.000 0.280 697 L C 0.340 177.410 176.870 0.332 0.000 1.004 697 L CA -0.520 54.482 54.840 0.271 0.000 0.820 697 L CB 1.908 44.072 42.059 0.175 0.000 1.247 697 L HN 0.797 nan 8.230 nan 0.000 0.416 698 A N 2.174 125.091 122.820 0.161 0.000 2.355 698 A HA 0.850 5.043 4.320 -0.212 0.000 0.324 698 A C 0.604 178.163 177.584 -0.041 0.000 1.117 698 A CA 0.229 52.219 52.037 -0.078 0.000 0.785 698 A CB 1.331 20.084 19.000 -0.412 0.000 1.254 698 A HN 0.944 nan 8.150 nan 0.000 0.453 699 G N 1.348 110.108 108.800 -0.066 0.000 2.685 699 G HA2 -0.362 3.471 3.960 -0.212 0.000 0.329 699 G HA3 -0.362 3.471 3.960 -0.212 0.000 0.329 699 G C 0.645 175.538 174.900 -0.012 0.000 1.271 699 G CA 0.874 45.950 45.100 -0.041 0.000 1.003 699 G HN 0.781 nan 8.290 nan 0.000 0.549 700 D N 1.538 121.930 120.400 -0.014 0.000 2.351 700 D HA 0.090 4.603 4.640 -0.212 0.000 0.216 700 D C 2.613 178.906 176.300 -0.012 0.000 0.968 700 D CA 1.203 55.190 54.000 -0.021 0.000 0.899 700 D CB -0.355 40.429 40.800 -0.026 0.000 0.907 700 D HN 0.634 nan 8.370 nan 0.000 0.514 701 A N 1.106 123.957 122.820 0.053 0.000 2.125 701 A HA -0.160 4.033 4.320 -0.212 0.000 0.219 701 A C 2.024 179.707 177.584 0.166 0.000 1.156 701 A CA 0.636 52.772 52.037 0.166 0.000 0.671 701 A CB -0.360 18.758 19.000 0.196 0.000 0.794 701 A HN 0.151 nan 8.150 nan 0.000 0.459 702 R N -0.706 119.840 120.500 0.076 0.000 2.328 702 R HA -0.048 4.165 4.340 -0.212 0.000 0.207 702 R C 1.586 177.884 176.300 -0.003 0.000 1.056 702 R CA 0.966 57.100 56.100 0.058 0.000 1.016 702 R CB -0.137 30.188 30.300 0.041 0.000 0.872 702 R HN 0.261 nan 8.270 nan 0.000 0.471 703 K N 0.235 120.580 120.400 -0.090 0.000 2.152 703 K HA -0.104 4.089 4.320 -0.212 0.000 0.206 703 K C 1.169 177.630 176.600 -0.231 0.000 1.048 703 K CA 1.312 57.480 56.287 -0.199 0.000 0.933 703 K CB -0.187 32.112 32.500 -0.334 0.000 0.721 703 K HN 0.061 nan 8.250 nan 0.000 0.447 704 F N 1.197 121.121 119.950 -0.044 0.000 2.333 704 F HA -0.114 4.286 4.527 -0.212 0.000 0.300 704 F C 1.604 177.353 175.800 -0.085 0.000 1.083 704 F CA 1.019 58.980 58.000 -0.064 0.000 1.395 704 F CB -0.213 38.747 39.000 -0.067 0.000 1.056 704 F HN -0.021 nan 8.300 nan 0.000 0.529 705 K N -0.008 120.434 120.400 0.071 0.000 2.160 705 K HA -0.217 3.976 4.320 -0.212 0.000 0.206 705 K C 2.282 178.853 176.600 -0.049 0.000 1.047 705 K CA 1.257 57.536 56.287 -0.012 0.000 0.930 705 K CB -0.437 32.053 32.500 -0.017 0.000 0.720 705 K HN 0.274 nan 8.250 nan 0.000 0.450 706 A N 1.061 123.859 122.820 -0.038 0.000 1.969 706 A HA -0.141 4.052 4.320 -0.212 0.000 0.218 706 A C 2.243 179.800 177.584 -0.045 0.000 1.169 706 A CA 1.937 53.946 52.037 -0.047 0.000 0.635 706 A CB -0.890 18.083 19.000 -0.045 0.000 0.810 706 A HN 0.487 nan 8.150 nan 0.000 0.445 707 T N -0.866 113.679 114.554 -0.015 0.000 2.951 707 T HA -0.019 4.203 4.350 -0.212 0.000 0.268 707 T C 1.345 175.988 174.700 -0.094 0.000 1.073 707 T CA 1.254 63.345 62.100 -0.016 0.000 1.134 707 T CB -0.650 68.246 68.868 0.047 0.000 0.884 707 T HN 0.674 nan 8.240 nan 0.000 0.479 708 I N -2.299 118.165 120.570 -0.176 0.000 3.891 708 I HA 0.521 4.564 4.170 -0.212 0.000 0.331 708 I C 0.226 176.116 176.117 -0.379 0.000 1.406 708 I CA -0.851 60.215 61.300 -0.389 0.000 1.139 708 I CB -0.327 37.287 38.000 -0.643 0.000 1.056 708 I HN -0.059 nan 8.210 nan 0.000 0.399 709 K N 1.569 121.854 120.400 -0.191 0.000 2.975 709 K HA -0.135 4.058 4.320 -0.212 0.000 0.257 709 K C -0.211 176.321 176.600 -0.113 0.000 1.005 709 K CA 0.700 56.915 56.287 -0.121 0.000 0.738 709 K CB -1.738 30.712 32.500 -0.084 0.000 1.236 709 K HN 0.605 nan 8.250 nan 0.000 0.483 710 I N 0.624 121.112 120.570 -0.137 0.000 2.519 710 I HA 0.207 4.250 4.170 -0.212 0.000 0.287 710 I C 1.231 177.324 176.117 -0.040 0.000 1.047 710 I CA -0.456 60.793 61.300 -0.084 0.000 1.381 710 I CB 1.060 39.002 38.000 -0.097 0.000 1.417 710 I HN 0.264 nan 8.210 nan 0.000 0.540 711 A N 4.358 127.169 122.820 -0.015 0.000 2.536 711 A HA -0.061 4.132 4.320 -0.212 0.000 0.234 711 A C 1.228 178.807 177.584 -0.008 0.000 1.076 711 A CA 0.049 52.081 52.037 -0.008 0.000 0.769 711 A CB 0.065 19.066 19.000 0.003 0.000 1.020 711 A HN 0.900 nan 8.150 nan 0.000 0.508 712 D N -0.067 120.329 120.400 -0.007 0.000 2.123 712 D HA -0.186 4.327 4.640 -0.212 0.000 0.196 712 D C 2.104 178.404 176.300 0.000 0.000 0.992 712 D CA 2.029 56.026 54.000 -0.006 0.000 0.833 712 D CB 0.083 40.880 40.800 -0.005 0.000 0.954 712 D HN 0.818 nan 8.370 nan 0.000 0.455 713 Q N 0.102 119.904 119.800 0.003 0.000 2.297 713 Q HA 0.169 4.382 4.340 -0.212 0.000 0.204 713 Q C 1.064 177.069 176.000 0.009 0.000 0.962 713 Q CA 0.864 56.671 55.803 0.006 0.000 0.879 713 Q CB 0.303 29.045 28.738 0.007 0.000 0.947 713 Q HN 0.154 nan 8.270 nan 0.000 0.462 714 G N 1.252 110.057 108.800 0.009 0.000 2.422 714 G HA2 -0.029 3.804 3.960 -0.212 0.000 0.607 714 G HA3 -0.029 3.804 3.960 -0.212 0.000 0.607 714 G C -1.597 173.312 174.900 0.015 0.000 1.270 714 G CA -0.385 44.722 45.100 0.012 0.000 0.992 714 G HN 0.532 nan 8.290 nan 0.000 0.499 715 E N -1.123 119.087 120.200 0.017 0.000 2.388 715 E HA 0.475 4.698 4.350 -0.212 0.000 0.282 715 E C -0.993 175.612 176.600 0.009 0.000 1.026 715 E CA -1.042 55.370 56.400 0.021 0.000 0.820 715 E CB 1.126 30.851 29.700 0.042 0.000 1.226 715 E HN 0.417 nan 8.360 nan 0.000 0.432 716 E N 0.967 121.165 120.200 -0.003 0.000 2.493 716 E HA 0.223 4.446 4.350 -0.212 0.000 0.255 716 E C 0.820 177.391 176.600 -0.047 0.000 0.999 716 E CA 1.664 58.048 56.400 -0.027 0.000 0.934 716 E CB 0.971 30.654 29.700 -0.028 0.000 0.940 716 E HN 0.932 nan 8.360 nan 0.000 0.473 717 G N 3.175 111.934 108.800 -0.068 0.000 2.253 717 G HA2 -0.195 3.638 3.960 -0.212 0.000 0.209 717 G HA3 -0.195 3.638 3.960 -0.212 0.000 0.209 717 G C 0.119 174.979 174.900 -0.065 0.000 0.997 717 G CA -0.474 44.567 45.100 -0.099 0.000 0.640 717 G HN 0.418 nan 8.290 nan 0.000 0.496 718 I N 2.481 123.035 120.570 -0.027 0.000 2.359 718 I HA 0.480 4.523 4.170 -0.212 0.000 0.284 718 I C 0.486 176.575 176.117 -0.047 0.000 1.018 718 I CA -1.203 60.087 61.300 -0.016 0.000 1.173 718 I CB 1.091 39.108 38.000 0.028 0.000 1.326 718 I HN -0.096 nan 8.210 nan 0.000 0.462 719 V N 7.575 127.424 119.914 -0.109 0.000 2.498 719 V HA 0.344 4.336 4.120 -0.212 0.000 0.279 719 V C 0.310 176.381 176.094 -0.038 0.000 1.048 719 V CA -0.360 61.834 62.300 -0.177 0.000 0.967 719 V CB 1.060 32.614 31.823 -0.449 0.000 0.988 719 V HN 0.858 nan 8.190 nan 0.000 0.473 720 E N 4.249 124.509 120.200 0.099 0.000 2.343 720 E HA 0.872 5.095 4.350 -0.212 0.000 0.278 720 E C -0.945 175.821 176.600 0.277 0.000 0.910 720 E CA -0.942 55.605 56.400 0.245 0.000 0.757 720 E CB 2.553 32.329 29.700 0.126 0.000 1.218 720 E HN 0.782 nan 8.360 nan 0.000 0.435 721 A N 2.047 125.025 122.820 0.263 0.000 2.511 721 A HA 0.361 4.554 4.320 -0.212 0.000 0.293 721 A C -0.810 176.768 177.584 -0.009 0.000 1.098 721 A CA -0.547 51.564 52.037 0.122 0.000 0.643 721 A CB 1.119 20.232 19.000 0.188 0.000 1.302 721 A HN 0.625 nan 8.150 nan 0.000 0.446 722 D N 0.141 120.516 120.400 -0.042 0.000 2.234 722 D HA 0.150 4.663 4.640 -0.212 0.000 0.205 722 D C 0.872 177.093 176.300 -0.132 0.000 0.962 722 D CA 2.068 56.028 54.000 -0.066 0.000 0.855 722 D CB 0.192 40.967 40.800 -0.042 0.000 0.951 722 D HN 0.742 nan 8.370 nan 0.000 0.500 723 S N -1.368 114.206 115.700 -0.210 0.000 2.579 723 S HA 0.693 5.036 4.470 -0.212 0.000 0.272 723 S C -0.882 173.393 174.600 -0.543 0.000 1.141 723 S CA -0.999 57.029 58.200 -0.287 0.000 0.843 723 S CB 1.838 64.940 63.200 -0.164 0.000 1.122 723 S HN -0.026 nan 8.310 nan 0.000 0.468 724 A N 1.868 124.335 122.820 -0.588 0.000 2.807 724 A HA 0.562 4.755 4.320 -0.212 0.000 0.307 724 A C 0.066 177.524 177.584 -0.210 0.000 1.532 724 A CA -0.222 51.376 52.037 -0.732 0.000 1.215 724 A CB -1.586 17.158 19.000 -0.427 0.000 1.127 724 A HN 0.921 nan 8.150 nan 0.000 0.543 725 D N 0.145 120.486 120.400 -0.099 0.000 2.668 725 D HA 0.616 5.129 4.640 -0.212 0.000 0.249 725 D C 1.403 177.753 176.300 0.082 0.000 1.150 725 D CA -0.035 53.967 54.000 0.003 0.000 1.090 725 D CB -0.040 40.754 40.800 -0.009 0.000 1.244 725 D HN 0.183 nan 8.370 nan 0.000 0.636 726 G N -0.136 108.697 108.800 0.054 0.000 2.896 726 G HA2 -0.415 3.418 3.960 -0.212 0.000 0.225 726 G HA3 -0.415 3.418 3.960 -0.212 0.000 0.225 726 G C 1.546 176.495 174.900 0.082 0.000 1.265 726 G CA 2.688 47.823 45.100 0.057 0.000 0.778 726 G HN 0.792 nan 8.290 nan 0.000 0.714 727 S N -0.287 115.464 115.700 0.084 0.000 2.481 727 S HA 0.015 4.358 4.470 -0.212 0.000 0.231 727 S C 2.093 176.762 174.600 0.115 0.000 0.996 727 S CA 1.338 59.586 58.200 0.079 0.000 0.942 727 S CB -0.348 62.887 63.200 0.059 0.000 0.768 727 S HN 0.420 nan 8.310 nan 0.000 0.520 728 F N 2.272 122.221 119.950 -0.002 0.000 2.095 728 F HA -0.048 4.352 4.527 -0.212 0.000 0.298 728 F C 2.287 178.085 175.800 -0.004 0.000 1.104 728 F CA 1.727 59.726 58.000 -0.002 0.000 1.232 728 F CB -0.262 38.738 39.000 -0.000 0.000 0.987 728 F HN 0.150 nan 8.300 nan 0.000 0.475 729 M N 0.171 119.881 119.600 0.185 0.000 2.175 729 M HA -0.182 4.171 4.480 -0.212 0.000 0.264 729 M C 1.868 178.160 176.300 -0.014 0.000 1.063 729 M CA 1.388 56.728 55.300 0.066 0.000 1.119 729 M CB -1.357 31.312 32.600 0.115 0.000 1.377 729 M HN 0.180 nan 8.290 nan 0.000 0.415 730 D N 0.273 120.677 120.400 0.005 0.000 2.117 730 D HA -0.151 4.361 4.640 -0.212 0.000 0.197 730 D C 1.915 178.189 176.300 -0.044 0.000 0.987 730 D CA 1.179 55.172 54.000 -0.012 0.000 0.829 730 D CB -0.112 40.691 40.800 0.004 0.000 0.961 730 D HN 0.492 nan 8.370 nan 0.000 0.460 731 E N 0.744 120.904 120.200 -0.068 0.000 2.051 731 E HA -0.133 4.090 4.350 -0.212 0.000 0.192 731 E C 2.196 178.713 176.600 -0.137 0.000 0.991 731 E CA 0.226 56.568 56.400 -0.098 0.000 0.799 731 E CB -0.073 29.554 29.700 -0.121 0.000 0.748 731 E HN 0.126 nan 8.360 nan 0.000 0.449 732 L N 1.096 122.198 121.223 -0.202 0.000 1.989 732 L HA -0.210 4.003 4.340 -0.212 0.000 0.211 732 L C 2.206 179.005 176.870 -0.118 0.000 1.071 732 L CA 1.747 56.468 54.840 -0.200 0.000 0.749 732 L CB -0.624 41.285 42.059 -0.250 0.000 0.890 732 L HN 0.234 nan 8.230 nan 0.000 0.431 733 L N -0.538 120.636 121.223 -0.082 0.000 2.131 733 L HA -0.204 4.009 4.340 -0.212 0.000 0.210 733 L C 2.443 179.287 176.870 -0.043 0.000 1.092 733 L CA 1.552 56.361 54.840 -0.051 0.000 0.759 733 L CB -0.740 41.300 42.059 -0.032 0.000 0.903 733 L HN 0.266 nan 8.230 nan 0.000 0.435 734 T N -0.034 114.491 114.554 -0.047 0.000 2.777 734 T HA -0.118 4.104 4.350 -0.212 0.000 0.266 734 T C 1.935 176.606 174.700 -0.048 0.000 1.040 734 T CA 1.138 63.217 62.100 -0.035 0.000 1.141 734 T CB -0.207 68.643 68.868 -0.031 0.000 0.868 734 T HN 0.193 nan 8.240 nan 0.000 0.444 735 L N 0.260 121.436 121.223 -0.079 0.000 2.083 735 L HA -0.044 4.168 4.340 -0.212 0.000 0.209 735 L C 2.693 179.500 176.870 -0.105 0.000 1.083 735 L CA 1.196 55.970 54.840 -0.109 0.000 0.752 735 L CB -0.577 41.395 42.059 -0.144 0.000 0.899 735 L HN 0.280 nan 8.230 nan 0.000 0.433 736 M N -0.645 118.907 119.600 -0.079 0.000 2.159 736 M HA -0.178 4.175 4.480 -0.212 0.000 0.263 736 M C 2.440 178.742 176.300 0.002 0.000 1.063 736 M CA 1.751 57.022 55.300 -0.049 0.000 1.110 736 M CB -0.436 32.144 32.600 -0.035 0.000 1.374 736 M HN 0.329 nan 8.290 nan 0.000 0.411 737 A N 0.044 122.868 122.820 0.008 0.000 2.067 737 A HA 0.075 4.268 4.320 -0.212 0.000 0.219 737 A C 2.090 179.720 177.584 0.076 0.000 1.158 737 A CA 1.577 53.640 52.037 0.043 0.000 0.661 737 A CB -0.602 18.418 19.000 0.033 0.000 0.801 737 A HN 0.497 nan 8.150 nan 0.000 0.452 738 A N -2.485 120.361 122.820 0.043 0.000 2.278 738 A HA 0.357 4.550 4.320 -0.212 0.000 0.212 738 A C 0.917 178.543 177.584 0.071 0.000 1.213 738 A CA 1.206 53.287 52.037 0.073 0.000 0.840 738 A CB -0.490 18.515 19.000 0.007 0.000 0.866 738 A HN 0.912 nan 8.150 nan 0.000 0.489 739 H N -1.160 117.861 119.070 -0.081 0.000 4.803 739 H HA -0.192 4.237 4.556 -0.212 0.000 0.060 739 H C 0.047 175.154 175.328 -0.368 0.000 0.602 739 H CA 2.392 58.365 56.048 -0.124 0.000 0.950 739 H CB -0.595 29.203 29.762 0.061 0.000 0.516 739 H HN 0.456 nan 8.280 nan 0.000 0.809 740 R N -0.151 119.748 120.500 -1.001 0.000 2.867 740 R HA 0.616 4.829 4.340 -0.212 0.000 0.268 740 R C -0.625 174.791 176.300 -1.474 0.000 1.014 740 R CA -0.329 54.942 56.100 -1.382 0.000 0.946 740 R CB 1.782 30.990 30.300 -1.821 0.000 1.208 740 R HN 0.109 nan 8.270 nan 0.000 0.477 741 V N 2.563 121.860 119.914 -1.028 0.000 2.221 741 V HA 0.094 4.087 4.120 -0.212 0.000 0.258 741 V C 0.599 176.316 176.094 -0.628 0.000 1.179 741 V CA -0.437 61.443 62.300 -0.701 0.000 1.022 741 V CB -0.372 31.186 31.823 -0.443 0.000 1.228 741 V HN 0.726 nan 8.190 nan 0.000 0.487 742 W N 1.596 122.626 121.300 -0.450 0.000 2.392 742 W HA -0.150 4.382 4.660 -0.212 0.000 0.279 742 W C 2.445 178.770 176.519 -0.323 0.000 1.225 742 W CA 0.795 57.792 57.345 -0.580 0.000 1.233 742 W CB -0.620 28.098 29.460 -1.236 0.000 1.122 742 W HN 0.632 nan 8.180 nan 0.000 0.561 743 S N 0.897 116.569 115.700 -0.047 0.000 2.474 743 S HA -0.167 4.176 4.470 -0.212 0.000 0.235 743 S C 1.710 176.281 174.600 -0.048 0.000 0.997 743 S CA 0.985 59.173 58.200 -0.019 0.000 0.949 743 S CB -0.479 62.711 63.200 -0.017 0.000 0.766 743 S HN 0.442 nan 8.310 nan 0.000 0.517 744 R N 0.831 121.258 120.500 -0.121 0.000 2.307 744 R HA 0.229 4.442 4.340 -0.212 0.000 0.199 744 R C 1.706 177.938 176.300 -0.114 0.000 1.000 744 R CA 0.256 56.262 56.100 -0.156 0.000 1.023 744 R CB -0.414 29.682 30.300 -0.340 0.000 0.908 744 R HN 0.461 nan 8.270 nan 0.000 0.473 745 I N 1.771 122.314 120.570 -0.045 0.000 2.113 745 I HA -0.253 3.790 4.170 -0.212 0.000 0.242 745 I C -0.784 175.356 176.117 0.038 0.000 1.064 745 I CA 1.520 62.834 61.300 0.023 0.000 1.320 745 I CB -0.932 37.126 38.000 0.095 0.000 1.028 745 I HN 0.181 nan 8.210 nan 0.000 0.406 746 P HA -0.166 nan 4.420 nan 0.000 0.218 746 P C 1.106 178.436 177.300 0.050 0.000 1.148 746 P CA 1.466 64.596 63.100 0.050 0.000 0.822 746 P CB -0.074 31.653 31.700 0.046 0.000 0.784 747 K N -0.296 120.131 120.400 0.045 0.000 2.296 747 K HA 0.044 4.237 4.320 -0.212 0.000 0.200 747 K C 2.024 178.688 176.600 0.107 0.000 1.048 747 K CA 0.972 57.308 56.287 0.082 0.000 0.966 747 K CB -0.493 32.079 32.500 0.121 0.000 0.754 747 K HN 0.303 nan 8.250 nan 0.000 0.466 748 I N -1.105 119.496 120.570 0.052 0.000 2.830 748 I HA -0.097 3.946 4.170 -0.212 0.000 0.263 748 I C 1.647 177.807 176.117 0.071 0.000 1.230 748 I CA 1.181 62.517 61.300 0.059 0.000 1.480 748 I CB -0.238 37.744 38.000 -0.029 0.000 1.095 748 I HN -0.089 nan 8.210 nan 0.000 0.455 749 D N 2.145 122.586 120.400 0.069 0.000 2.133 749 D HA -0.211 4.302 4.640 -0.212 0.000 0.195 749 D C 2.030 178.367 176.300 0.063 0.000 0.997 749 D CA 1.429 55.470 54.000 0.068 0.000 0.840 749 D CB 0.097 40.937 40.800 0.066 0.000 0.947 749 D HN 0.148 nan 8.370 nan 0.000 0.452 750 K N -0.216 120.221 120.400 0.063 0.000 2.432 750 K HA 0.037 4.230 4.320 -0.212 0.000 0.196 750 K C 0.077 176.705 176.600 0.046 0.000 1.038 750 K CA 0.054 56.372 56.287 0.051 0.000 0.986 750 K CB 0.321 32.849 32.500 0.047 0.000 0.782 750 K HN 0.283 nan 8.250 nan 0.000 0.485 751 I N 3.669 124.272 120.570 0.055 0.000 2.371 751 I HA 0.097 4.140 4.170 -0.212 0.000 0.290 751 I C -2.055 174.084 176.117 0.037 0.000 1.028 751 I CA -2.968 58.356 61.300 0.040 0.000 1.345 751 I CB 0.612 38.646 38.000 0.056 0.000 1.407 751 I HN -0.160 nan 8.210 nan 0.000 0.501 752 P HA 0.400 nan 4.420 nan 0.000 0.244 752 P C -0.591 176.755 177.300 0.076 0.000 1.769 752 P CA 0.022 63.152 63.100 0.051 0.000 1.102 752 P CB 0.460 32.188 31.700 0.046 0.000 1.937 753 A N 0.000 122.859 122.820 0.065 0.000 2.254 753 A HA 0.000 4.193 4.320 -0.212 0.000 0.244 753 A CA 0.000 52.090 52.037 0.088 0.000 0.836 753 A CB 0.000 18.945 19.000 -0.091 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486