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 1iph_1_A DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.278 176.300 -0.037 0.000 2.045 27 D CA 0.000 53.984 54.000 -0.026 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 28 S N -1.633 114.044 115.700 -0.039 0.000 2.646 28 S HA 0.535 5.006 4.470 0.002 0.000 0.192 28 S C 1.169 175.727 174.600 -0.070 0.000 1.218 28 S CA 0.664 58.833 58.200 -0.051 0.000 1.545 28 S CB -0.545 62.632 63.200 -0.038 0.000 0.737 28 S HN 0.680 nan 8.310 nan 0.000 0.467 29 L N -1.078 120.105 121.223 -0.067 0.000 3.542 29 L HA -0.242 4.099 4.340 0.002 0.000 0.060 29 L C 0.957 177.753 176.870 -0.124 0.000 4.389 29 L CA 1.094 55.890 54.840 -0.074 0.000 0.557 29 L CB -2.411 39.609 42.059 -0.064 0.000 3.528 29 L HN 0.695 nan 8.230 nan 0.000 0.847 30 A N 3.246 125.944 122.820 -0.204 0.000 2.511 30 A HA 0.423 4.744 4.320 0.002 0.000 0.242 30 A C -1.776 175.683 177.584 -0.208 0.000 1.069 30 A CA -0.314 51.492 52.037 -0.385 0.000 0.763 30 A CB -0.344 18.250 19.000 -0.677 0.000 1.001 30 A HN 0.346 nan 8.150 nan 0.000 0.498 31 P HA 0.178 nan 4.420 nan 0.000 0.276 31 P C -0.733 176.597 177.300 0.050 0.000 1.264 31 P CA -0.054 63.045 63.100 -0.001 0.000 0.769 31 P CB 0.924 32.655 31.700 0.052 0.000 0.840 32 E N 3.477 123.695 120.200 0.030 0.000 2.130 32 E HA 0.204 4.555 4.350 0.002 0.000 0.284 32 E C 0.409 177.035 176.600 0.044 0.000 1.018 32 E CA 0.250 56.681 56.400 0.051 0.000 0.817 32 E CB 0.821 30.541 29.700 0.032 0.000 1.078 32 E HN 0.560 nan 8.360 nan 0.000 0.396 33 D N 1.591 122.027 120.400 0.061 0.000 4.213 33 D HA -0.053 4.588 4.640 0.002 0.000 0.267 33 D C 1.021 177.354 176.300 0.056 0.000 0.455 33 D CA 0.461 54.489 54.000 0.046 0.000 0.695 33 D CB -1.060 39.763 40.800 0.037 0.000 1.627 33 D HN 0.581 nan 8.370 nan 0.000 0.123 34 G N 0.567 109.432 108.800 0.109 0.000 2.176 34 G HA2 -0.337 3.624 3.960 0.002 0.000 0.253 34 G HA3 -0.337 3.624 3.960 0.002 0.000 0.253 34 G C 1.136 176.015 174.900 -0.036 0.000 0.979 34 G CA 1.192 46.337 45.100 0.075 0.000 0.641 34 G HN 1.208 nan 8.290 nan 0.000 0.530 35 S N 1.069 116.809 115.700 0.066 0.000 2.571 35 S HA -0.121 4.350 4.470 0.002 0.000 0.245 35 S C 1.881 176.497 174.600 0.027 0.000 0.976 35 S CA 1.551 59.768 58.200 0.028 0.000 0.954 35 S CB -0.740 62.492 63.200 0.055 0.000 0.756 35 S HN 0.973 nan 8.310 nan 0.000 0.535 36 H N 0.088 119.166 119.070 0.013 0.000 2.512 36 H HA 0.288 4.845 4.556 0.001 0.000 0.279 36 H C 0.414 175.754 175.328 0.020 0.000 0.999 36 H CA -0.043 56.013 56.048 0.014 0.000 1.283 36 H CB -0.241 29.528 29.762 0.012 0.000 1.421 36 H HN 0.153 nan 8.280 nan 0.000 0.554 37 R N 2.261 122.466 120.500 -0.491 0.000 2.368 37 R HA 0.375 4.716 4.340 0.002 0.000 0.302 37 R C -2.346 173.881 176.300 -0.123 0.000 1.002 37 R CA -2.293 53.643 56.100 -0.275 0.000 0.929 37 R CB 0.936 31.030 30.300 -0.343 0.000 1.073 37 R HN 0.278 nan 8.270 nan 0.000 0.464 38 P HA 0.241 nan 4.420 nan 0.000 0.276 38 P C -0.873 176.424 177.300 -0.005 0.000 1.244 38 P CA -0.595 62.501 63.100 -0.006 0.000 0.801 38 P CB 0.657 32.377 31.700 0.033 0.000 1.006 39 A N 1.413 124.236 122.820 0.005 0.000 2.401 39 A HA 0.476 4.797 4.320 0.002 0.000 0.259 39 A C 0.696 178.294 177.584 0.022 0.000 1.103 39 A CA -0.183 51.858 52.037 0.008 0.000 0.789 39 A CB -0.377 18.628 19.000 0.010 0.000 1.035 39 A HN 0.546 nan 8.150 nan 0.000 0.491 40 A N 3.188 126.020 122.820 0.021 0.000 3.077 40 A HA 0.493 4.814 4.320 0.002 0.000 0.255 40 A C 0.378 177.982 177.584 0.034 0.000 1.728 40 A CA 0.239 52.295 52.037 0.031 0.000 1.383 40 A CB -0.897 18.119 19.000 0.026 0.000 1.097 40 A HN 0.916 nan 8.150 nan 0.000 0.634 41 E N -0.629 119.593 120.200 0.037 0.000 2.416 41 E HA 0.434 4.785 4.350 0.002 0.000 0.280 41 E C -3.297 173.326 176.600 0.038 0.000 1.055 41 E CA -2.357 54.065 56.400 0.038 0.000 0.825 41 E CB 0.510 30.226 29.700 0.028 0.000 1.312 41 E HN 0.039 nan 8.360 nan 0.000 0.452 42 P HA 0.041 nan 4.420 nan 0.000 0.260 42 P C -0.587 176.721 177.300 0.013 0.000 1.185 42 P CA 0.507 63.619 63.100 0.020 0.000 0.763 42 P CB 0.363 32.062 31.700 -0.002 0.000 0.776 43 T N 1.313 115.872 114.554 0.008 0.000 2.924 43 T HA 0.687 5.038 4.350 0.002 0.000 0.291 43 T C -2.830 171.849 174.700 -0.035 0.000 1.045 43 T CA -2.859 59.242 62.100 0.001 0.000 1.015 43 T CB 1.279 70.153 68.868 0.010 0.000 1.103 43 T HN -0.024 nan 8.240 nan 0.000 0.496 44 P HA 0.307 nan 4.420 nan 0.000 0.271 44 P C -2.630 174.556 177.300 -0.190 0.000 1.233 44 P CA -1.295 61.691 63.100 -0.190 0.000 0.789 44 P CB -1.014 30.645 31.700 -0.069 0.000 0.951 45 P HA -0.062 nan 4.420 nan 0.000 0.257 45 P C 1.017 178.278 177.300 -0.064 0.000 1.153 45 P CA 1.987 64.994 63.100 -0.156 0.000 0.762 45 P CB -0.521 31.069 31.700 -0.182 0.000 0.743 46 G N 3.199 111.986 108.800 -0.023 0.000 2.168 46 G HA2 -0.345 3.615 3.960 0.002 0.000 0.263 46 G HA3 -0.345 3.615 3.960 0.002 0.000 0.263 46 G C 1.118 176.018 174.900 0.001 0.000 0.977 46 G CA 0.419 45.517 45.100 -0.002 0.000 0.659 46 G HN 0.684 nan 8.290 nan 0.000 0.533 47 A N -1.258 121.560 122.820 -0.004 0.000 1.970 47 A HA 0.379 4.700 4.320 0.002 0.000 0.216 47 A C 1.428 179.017 177.584 0.008 0.000 1.170 47 A CA 1.874 53.912 52.037 0.002 0.000 0.645 47 A CB 0.025 19.024 19.000 -0.002 0.000 0.816 47 A HN 0.542 nan 8.150 nan 0.000 0.447 48 Q N -0.700 119.108 119.800 0.013 0.000 2.484 48 Q HA 0.415 4.756 4.340 0.002 0.000 0.285 48 Q C -2.828 173.186 176.000 0.023 0.000 1.097 48 Q CA -2.120 53.693 55.803 0.018 0.000 0.802 48 Q CB 1.061 29.814 28.738 0.025 0.000 1.444 48 Q HN 0.183 nan 8.270 nan 0.000 0.429 49 P HA 0.004 nan 4.420 nan 0.000 0.268 49 P C -0.206 177.122 177.300 0.048 0.000 1.205 49 P CA 0.096 63.208 63.100 0.021 0.000 0.771 49 P CB 0.343 32.054 31.700 0.018 0.000 0.858 50 T N -0.629 113.950 114.554 0.042 0.000 2.788 50 T HA 0.609 4.960 4.350 0.002 0.000 0.287 50 T C 0.098 174.891 174.700 0.154 0.000 1.007 50 T CA -0.608 61.572 62.100 0.134 0.000 1.005 50 T CB 0.821 69.707 68.868 0.031 0.000 1.012 50 T HN 0.655 nan 8.240 nan 0.000 0.530 51 A N 1.131 124.143 122.820 0.320 0.000 2.566 51 A HA 0.793 5.113 4.320 0.002 0.000 0.292 51 A C -2.980 174.882 177.584 0.464 0.000 1.112 51 A CA -2.274 49.926 52.037 0.273 0.000 0.707 51 A CB 0.500 19.613 19.000 0.188 0.000 1.302 51 A HN 0.670 nan 8.150 nan 0.000 0.409 52 P HA -0.042 nan 4.420 nan 0.000 0.264 52 P C 1.302 178.746 177.300 0.240 0.000 1.156 52 P CA 1.345 64.644 63.100 0.332 0.000 0.756 52 P CB 0.420 32.244 31.700 0.207 0.000 0.764 53 G N 2.484 111.390 108.800 0.176 0.000 2.529 53 G HA2 -0.312 3.649 3.960 0.002 0.000 0.219 53 G HA3 -0.312 3.649 3.960 0.002 0.000 0.219 53 G C 1.566 176.492 174.900 0.042 0.000 1.177 53 G CA 1.066 46.194 45.100 0.048 0.000 0.773 53 G HN 0.505 nan 8.290 nan 0.000 0.573 54 S N 0.231 115.960 115.700 0.047 0.000 2.382 54 S HA -0.058 4.413 4.470 0.002 0.000 0.228 54 S C 2.157 176.783 174.600 0.043 0.000 1.027 54 S CA 0.947 59.166 58.200 0.030 0.000 0.991 54 S CB -0.149 63.070 63.200 0.031 0.000 0.823 54 S HN 0.159 nan 8.310 nan 0.000 0.469 55 L N 1.068 122.332 121.223 0.068 0.000 2.162 55 L HA 0.210 4.551 4.340 0.002 0.000 0.205 55 L C 2.262 179.172 176.870 0.067 0.000 1.086 55 L CA 1.438 56.319 54.840 0.068 0.000 0.778 55 L CB -0.515 41.594 42.059 0.085 0.000 0.928 55 L HN 0.106 nan 8.230 nan 0.000 0.446 56 K N -0.472 119.978 120.400 0.083 0.000 2.186 56 K HA 0.188 4.509 4.320 0.002 0.000 0.202 56 K C 0.270 176.904 176.600 0.056 0.000 1.052 56 K CA 0.889 57.222 56.287 0.078 0.000 0.965 56 K CB 0.320 32.882 32.500 0.102 0.000 0.746 56 K HN 0.200 nan 8.250 nan 0.000 0.457 57 A N 1.406 124.252 122.820 0.043 0.000 3.082 57 A HA 0.330 4.651 4.320 0.002 0.000 0.328 57 A C -2.371 175.222 177.584 0.016 0.000 1.089 57 A CA -1.033 51.024 52.037 0.033 0.000 0.802 57 A CB 0.853 19.872 19.000 0.031 0.000 1.138 57 A HN -0.065 nan 8.150 nan 0.000 0.474 58 P HA -0.103 nan 4.420 nan 0.000 0.219 58 P C 0.368 177.667 177.300 -0.001 0.000 1.146 58 P CA 1.296 64.402 63.100 0.010 0.000 0.808 58 P CB 0.324 32.033 31.700 0.015 0.000 0.779 59 D N -2.248 118.154 120.400 0.004 0.000 2.398 59 D HA 0.049 4.690 4.640 0.002 0.000 0.210 59 D C -0.043 176.250 176.300 -0.012 0.000 1.094 59 D CA 0.418 54.416 54.000 -0.003 0.000 0.839 59 D CB 0.105 40.908 40.800 0.006 0.000 0.963 59 D HN 0.125 nan 8.370 nan 0.000 0.506 60 T N 1.828 116.372 114.554 -0.017 0.000 2.727 60 T HA 0.354 4.705 4.350 0.002 0.000 0.295 60 T C 0.405 175.070 174.700 -0.058 0.000 0.915 60 T CA -0.228 61.849 62.100 -0.038 0.000 1.066 60 T CB 1.160 69.998 68.868 -0.050 0.000 0.891 60 T HN -0.121 nan 8.240 nan 0.000 0.516 61 R N 2.654 123.118 120.500 -0.061 0.000 2.873 61 R HA 0.745 5.086 4.340 0.002 0.000 0.264 61 R C -0.235 176.022 176.300 -0.072 0.000 1.026 61 R CA -0.795 55.263 56.100 -0.070 0.000 1.002 61 R CB 1.276 31.541 30.300 -0.058 0.000 1.174 61 R HN 0.833 nan 8.270 nan 0.000 0.488 62 N N -2.309 116.347 118.700 -0.073 0.000 3.116 62 N HA 0.034 4.775 4.740 0.002 0.000 0.244 62 N C -0.166 175.306 175.510 -0.062 0.000 1.485 62 N CA -0.866 52.153 53.050 -0.053 0.000 0.884 62 N CB 0.541 39.025 38.487 -0.004 0.000 1.415 62 N HN 0.552 nan 8.380 nan 0.000 0.524 63 E N -0.323 119.853 120.200 -0.040 0.000 2.077 63 E HA -0.250 4.101 4.350 0.002 0.000 0.193 63 E C 1.004 177.540 176.600 -0.106 0.000 0.989 63 E CA 1.426 57.796 56.400 -0.049 0.000 0.800 63 E CB 0.080 29.776 29.700 -0.007 0.000 0.746 63 E HN 0.479 nan 8.360 nan 0.000 0.452 64 K N 0.783 121.082 120.400 -0.168 0.000 2.031 64 K HA -0.072 4.249 4.320 0.002 0.000 0.205 64 K C 2.141 178.587 176.600 -0.256 0.000 1.049 64 K CA 1.070 57.160 56.287 -0.329 0.000 0.939 64 K CB -0.493 31.633 32.500 -0.624 0.000 0.717 64 K HN 0.154 nan 8.250 nan 0.000 0.438 65 L N 1.014 122.104 121.223 -0.222 0.000 2.079 65 L HA -0.242 4.099 4.340 0.002 0.000 0.210 65 L C 1.836 178.604 176.870 -0.170 0.000 1.081 65 L CA 1.390 56.080 54.840 -0.249 0.000 0.752 65 L CB -0.568 41.343 42.059 -0.247 0.000 0.896 65 L HN 0.297 nan 8.230 nan 0.000 0.433 66 N N -0.524 118.100 118.700 -0.127 0.000 2.216 66 N HA -0.125 4.615 4.740 0.002 0.000 0.183 66 N C 2.046 177.504 175.510 -0.086 0.000 1.017 66 N CA 1.586 54.581 53.050 -0.091 0.000 0.861 66 N CB -0.314 38.132 38.487 -0.068 0.000 0.986 66 N HN 0.379 nan 8.380 nan 0.000 0.428 67 S N 0.927 116.566 115.700 -0.102 0.000 2.428 67 S HA 0.033 4.504 4.470 0.002 0.000 0.230 67 S C 2.014 176.558 174.600 -0.093 0.000 1.014 67 S CA 0.383 58.530 58.200 -0.088 0.000 0.957 67 S CB -0.631 62.513 63.200 -0.094 0.000 0.784 67 S HN 0.200 nan 8.310 nan 0.000 0.499 68 L N 1.281 122.432 121.223 -0.120 0.000 2.353 68 L HA -0.004 4.337 4.340 0.002 0.000 0.220 68 L C 2.720 179.547 176.870 -0.071 0.000 1.133 68 L CA 0.790 55.568 54.840 -0.103 0.000 0.798 68 L CB -0.585 41.396 42.059 -0.129 0.000 0.922 68 L HN 0.233 nan 8.230 nan 0.000 0.445 69 E N 0.772 120.933 120.200 -0.065 0.000 2.233 69 E HA -0.273 4.078 4.350 0.002 0.000 0.199 69 E C 1.555 178.138 176.600 -0.029 0.000 1.004 69 E CA 1.619 57.994 56.400 -0.042 0.000 0.819 69 E CB -0.239 29.439 29.700 -0.036 0.000 0.738 69 E HN 0.690 nan 8.360 nan 0.000 0.478 70 D N -0.281 120.100 120.400 -0.032 0.000 2.348 70 D HA -0.098 4.543 4.640 0.002 0.000 0.216 70 D C 1.563 177.852 176.300 -0.019 0.000 0.970 70 D CA 0.956 54.943 54.000 -0.023 0.000 0.889 70 D CB -0.089 40.697 40.800 -0.024 0.000 0.912 70 D HN 0.219 nan 8.370 nan 0.000 0.524 71 V N -3.425 116.476 119.914 -0.022 0.000 3.477 71 V HA 0.383 4.504 4.120 0.002 0.000 0.297 71 V C 0.741 176.830 176.094 -0.007 0.000 1.433 71 V CA -0.786 61.506 62.300 -0.013 0.000 1.052 71 V CB -0.550 31.264 31.823 -0.014 0.000 0.895 71 V HN -0.167 nan 8.190 nan 0.000 0.438 72 R N 1.623 122.118 120.500 -0.009 0.000 2.491 72 R HA 0.492 4.833 4.340 0.002 0.000 0.283 72 R C -0.574 175.727 176.300 0.001 0.000 1.072 72 R CA -0.027 56.074 56.100 0.003 0.000 1.048 72 R CB 0.693 30.995 30.300 0.003 0.000 0.983 72 R HN 0.237 nan 8.270 nan 0.000 0.450 73 K N 0.724 121.127 120.400 0.004 0.000 2.323 73 K HA 0.334 4.655 4.320 0.002 0.000 0.259 73 K C 0.125 176.730 176.600 0.009 0.000 0.947 73 K CA -0.248 56.028 56.287 -0.019 0.000 0.819 73 K CB 2.123 34.601 32.500 -0.036 0.000 1.109 73 K HN 0.710 nan 8.250 nan 0.000 0.429 74 G N 0.063 108.876 108.800 0.022 0.000 2.504 74 G HA2 0.291 4.252 3.960 0.002 0.000 0.257 74 G HA3 0.291 4.252 3.960 0.002 0.000 0.257 74 G C 0.225 175.193 174.900 0.113 0.000 1.451 74 G CA 0.259 45.417 45.100 0.097 0.000 1.059 74 G HN 0.658 nan 8.290 nan 0.000 0.550 75 S N -2.586 113.267 115.700 0.254 0.000 3.352 75 S HA 0.142 4.613 4.470 0.002 0.000 0.242 75 S C 0.290 175.085 174.600 0.324 0.000 1.075 75 S CA -0.211 58.147 58.200 0.265 0.000 1.026 75 S CB 0.136 63.418 63.200 0.136 0.000 1.009 75 S HN 0.499 nan 8.310 nan 0.000 0.429 76 E N 2.949 123.264 120.200 0.192 0.000 2.415 76 E HA 0.236 4.587 4.350 0.002 0.000 0.263 76 E C -0.405 176.144 176.600 -0.085 0.000 0.995 76 E CA 0.191 56.628 56.400 0.062 0.000 0.915 76 E CB 0.067 29.785 29.700 0.030 0.000 0.951 76 E HN 0.379 nan 8.360 nan 0.000 0.449 77 N N 1.013 119.661 118.700 -0.087 0.000 2.782 77 N HA -0.219 4.522 4.740 0.002 0.000 0.251 77 N C -1.404 173.948 175.510 -0.264 0.000 1.101 77 N CA 1.112 54.054 53.050 -0.180 0.000 0.764 77 N CB -1.640 36.697 38.487 -0.250 0.000 1.122 77 N HN 0.374 nan 8.380 nan 0.000 0.561 78 Y N 0.325 120.631 120.300 0.010 0.000 2.409 78 Y HA 0.649 5.201 4.550 0.003 0.000 0.339 78 Y C 0.728 176.632 175.900 0.006 0.000 1.033 78 Y CA -0.892 57.213 58.100 0.008 0.000 1.094 78 Y CB 1.353 39.818 38.460 0.010 0.000 1.210 78 Y HN 0.164 nan 8.280 nan 0.000 0.456 79 A N 3.137 126.084 122.820 0.213 0.000 2.462 79 A HA 0.325 4.646 4.320 0.002 0.000 0.243 79 A C -0.579 177.058 177.584 0.088 0.000 1.076 79 A CA -0.423 51.683 52.037 0.115 0.000 0.773 79 A CB -0.011 19.043 19.000 0.090 0.000 1.010 79 A HN 0.707 nan 8.150 nan 0.000 0.493 80 L N 3.425 124.680 121.223 0.052 0.000 2.410 80 L HA 0.467 4.808 4.340 0.002 0.000 0.273 80 L C 0.737 177.618 176.870 0.018 0.000 1.144 80 L CA 1.292 56.147 54.840 0.026 0.000 0.863 80 L CB 0.188 42.255 42.059 0.013 0.000 1.140 80 L HN 0.927 nan 8.230 nan 0.000 0.463 81 T N 0.349 114.907 114.554 0.007 0.000 2.864 81 T HA 0.682 5.033 4.350 0.002 0.000 0.289 81 T C 0.152 174.856 174.700 0.006 0.000 1.082 81 T CA -0.197 61.910 62.100 0.012 0.000 1.009 81 T CB 1.098 69.975 68.868 0.014 0.000 1.234 81 T HN 0.748 nan 8.240 nan 0.000 0.526 82 T N -0.133 114.440 114.554 0.032 0.000 2.754 82 T HA 0.279 4.630 4.350 0.002 0.000 0.286 82 T C 1.004 175.717 174.700 0.022 0.000 0.997 82 T CA -0.652 61.473 62.100 0.041 0.000 0.982 82 T CB 0.060 68.996 68.868 0.114 0.000 1.027 82 T HN 0.545 nan 8.240 nan 0.000 0.529 83 N N 0.512 119.223 118.700 0.019 0.000 2.520 83 N HA -0.064 4.677 4.740 0.002 0.000 0.185 83 N C 1.370 176.891 175.510 0.018 0.000 1.068 83 N CA 0.573 53.626 53.050 0.006 0.000 0.911 83 N CB -0.114 38.380 38.487 0.011 0.000 0.961 83 N HN 0.563 nan 8.380 nan 0.000 0.446 84 Q N -0.643 119.178 119.800 0.035 0.000 2.280 84 Q HA 0.216 4.557 4.340 0.002 0.000 0.201 84 Q C 0.801 176.816 176.000 0.024 0.000 0.890 84 Q CA 0.061 55.881 55.803 0.028 0.000 0.947 84 Q CB 0.581 29.338 28.738 0.032 0.000 1.081 84 Q HN 0.380 nan 8.270 nan 0.000 0.502 85 G N 0.460 109.275 108.800 0.025 0.000 2.141 85 G HA2 -0.236 3.725 3.960 0.002 0.000 0.242 85 G HA3 -0.236 3.725 3.960 0.002 0.000 0.242 85 G C 0.084 175.008 174.900 0.039 0.000 0.982 85 G CA 0.150 45.263 45.100 0.022 0.000 0.662 85 G HN 0.229 nan 8.290 nan 0.000 0.527 86 V N 3.317 123.269 119.914 0.064 0.000 2.432 86 V HA 0.441 4.562 4.120 0.002 0.000 0.275 86 V C 1.073 177.209 176.094 0.070 0.000 1.043 86 V CA -0.948 61.402 62.300 0.084 0.000 0.925 86 V CB 1.138 33.051 31.823 0.150 0.000 0.985 86 V HN 0.450 nan 8.190 nan 0.000 0.466 87 R N 5.179 125.712 120.500 0.055 0.000 2.543 87 R HA 0.439 4.780 4.340 0.002 0.000 0.277 87 R C -0.753 175.565 176.300 0.029 0.000 1.074 87 R CA -0.339 55.785 56.100 0.039 0.000 1.076 87 R CB 0.749 31.071 30.300 0.036 0.000 0.993 87 R HN 0.499 nan 8.270 nan 0.000 0.459 88 I N 1.988 122.564 120.570 0.010 0.000 2.315 88 I HA 0.101 4.272 4.170 0.002 0.000 0.291 88 I C 1.167 177.276 176.117 -0.013 0.000 1.006 88 I CA -0.030 61.261 61.300 -0.015 0.000 1.265 88 I CB 1.831 39.813 38.000 -0.031 0.000 1.387 88 I HN 0.808 nan 8.210 nan 0.000 0.475 89 A N 4.286 127.095 122.820 -0.018 0.000 1.878 89 A HA -0.009 4.312 4.320 0.002 0.000 0.213 89 A C 0.706 178.275 177.584 -0.026 0.000 1.192 89 A CA 1.015 53.042 52.037 -0.016 0.000 0.619 89 A CB 0.001 18.994 19.000 -0.012 0.000 0.837 89 A HN 0.652 nan 8.150 nan 0.000 0.446 90 D N -0.851 119.525 120.400 -0.040 0.000 2.481 90 D HA 0.416 5.057 4.640 0.002 0.000 0.246 90 D C -1.478 174.789 176.300 -0.056 0.000 1.109 90 D CA -0.380 53.594 54.000 -0.043 0.000 0.845 90 D CB 1.436 42.210 40.800 -0.044 0.000 1.160 90 D HN 0.038 nan 8.370 nan 0.000 0.534 91 D N 2.138 122.509 120.400 -0.048 0.000 2.559 91 D HA 0.118 4.759 4.640 0.002 0.000 0.234 91 D C 0.317 176.586 176.300 -0.052 0.000 1.226 91 D CA 0.150 54.118 54.000 -0.053 0.000 0.830 91 D CB 0.486 41.261 40.800 -0.042 0.000 1.028 91 D HN 0.227 nan 8.370 nan 0.000 0.492 92 Q N -0.786 118.983 119.800 -0.051 0.000 2.179 92 Q HA 0.283 4.624 4.340 0.002 0.000 0.244 92 Q C -0.194 175.775 176.000 -0.051 0.000 0.808 92 Q CA 0.095 55.868 55.803 -0.049 0.000 0.955 92 Q CB 1.060 29.774 28.738 -0.040 0.000 1.141 92 Q HN 0.139 nan 8.270 nan 0.000 0.485 93 N N 0.288 118.955 118.700 -0.055 0.000 2.242 93 N HA 0.354 5.095 4.740 0.002 0.000 0.292 93 N C -0.992 174.481 175.510 -0.062 0.000 1.125 93 N CA -0.197 52.822 53.050 -0.053 0.000 0.783 93 N CB 2.237 40.697 38.487 -0.044 0.000 1.558 93 N HN -0.164 nan 8.380 nan 0.000 0.472 94 S N 0.734 116.400 115.700 -0.057 0.000 2.632 94 S HA 0.343 4.814 4.470 0.002 0.000 0.271 94 S C 0.084 174.653 174.600 -0.051 0.000 1.260 94 S CA -0.620 57.544 58.200 -0.059 0.000 1.010 94 S CB 0.988 64.158 63.200 -0.049 0.000 0.965 94 S HN 0.416 nan 8.310 nan 0.000 0.534 95 L N 3.528 124.719 121.223 -0.053 0.000 2.278 95 L HA 0.389 4.730 4.340 0.002 0.000 0.287 95 L C 0.043 176.898 176.870 -0.025 0.000 1.072 95 L CA 0.159 54.975 54.840 -0.040 0.000 0.819 95 L CB -0.237 41.795 42.059 -0.045 0.000 1.176 95 L HN 0.684 nan 8.230 nan 0.000 0.435 96 R N 4.398 124.887 120.500 -0.020 0.000 2.807 96 R HA 0.846 5.187 4.340 0.002 0.000 0.276 96 R C -0.894 175.400 176.300 -0.009 0.000 0.979 96 R CA -0.794 55.298 56.100 -0.014 0.000 0.928 96 R CB 1.268 31.559 30.300 -0.016 0.000 1.191 96 R HN 0.581 nan 8.270 nan 0.000 0.471 97 A N 1.746 124.563 122.820 -0.005 0.000 2.805 97 A HA 0.541 4.862 4.320 0.002 0.000 0.301 97 A C 0.649 178.231 177.584 -0.004 0.000 1.557 97 A CA 0.340 52.375 52.037 -0.002 0.000 1.254 97 A CB -0.991 18.009 19.000 0.000 0.000 1.114 97 A HN 1.224 nan 8.150 nan 0.000 0.553 98 G N 1.208 110.004 108.800 -0.005 0.000 2.785 98 G HA2 0.038 3.999 3.960 0.002 0.000 0.686 98 G HA3 0.038 3.999 3.960 0.002 0.000 0.686 98 G C 0.650 175.545 174.900 -0.009 0.000 1.155 98 G CA 0.098 45.195 45.100 -0.006 0.000 0.760 98 G HN 1.835 nan 8.290 nan 0.000 0.624 99 S N 0.304 115.998 115.700 -0.010 0.000 2.537 99 S HA -0.049 4.422 4.470 0.002 0.000 0.240 99 S C 1.517 176.110 174.600 -0.012 0.000 0.981 99 S CA 1.506 59.699 58.200 -0.012 0.000 0.948 99 S CB 0.046 63.239 63.200 -0.012 0.000 0.759 99 S HN 0.748 nan 8.310 nan 0.000 0.531 100 R N 0.707 121.201 120.500 -0.010 0.000 2.613 100 R HA 0.346 4.687 4.340 0.002 0.000 0.361 100 R C 0.851 177.146 176.300 -0.009 0.000 1.072 100 R CA 0.048 56.142 56.100 -0.010 0.000 1.089 100 R CB 0.820 31.115 30.300 -0.009 0.000 1.343 100 R HN 0.457 nan 8.270 nan 0.000 0.571 101 G N 1.393 110.188 108.800 -0.009 0.000 2.642 101 G HA2 0.423 4.384 3.960 0.002 0.000 0.291 101 G HA3 0.423 4.384 3.960 0.002 0.000 0.291 101 G C -2.447 172.449 174.900 -0.008 0.000 1.345 101 G CA -1.019 44.077 45.100 -0.007 0.000 1.043 101 G HN -0.092 nan 8.290 nan 0.000 0.528 102 P HA 0.265 nan 4.420 nan 0.000 0.277 102 P C -0.351 176.945 177.300 -0.006 0.000 1.240 102 P CA -0.082 63.015 63.100 -0.005 0.000 0.798 102 P CB 0.933 32.632 31.700 -0.002 0.000 0.979 103 T N 2.165 116.714 114.554 -0.008 0.000 2.897 103 T HA 0.332 4.683 4.350 0.002 0.000 0.294 103 T C 0.431 175.130 174.700 -0.002 0.000 1.004 103 T CA -0.331 61.763 62.100 -0.010 0.000 1.106 103 T CB 0.125 68.985 68.868 -0.014 0.000 0.949 103 T HN 0.194 nan 8.240 nan 0.000 0.520 104 L N 3.381 124.604 121.223 -0.001 0.000 2.312 104 L HA 0.313 4.654 4.340 0.002 0.000 0.281 104 L C 1.397 178.277 176.870 0.017 0.000 1.070 104 L CA -0.803 54.042 54.840 0.009 0.000 0.805 104 L CB 0.855 42.920 42.059 0.011 0.000 1.174 104 L HN 0.516 nan 8.230 nan 0.000 0.434 105 L N 2.400 123.637 121.223 0.024 0.000 2.447 105 L HA -0.175 4.166 4.340 0.002 0.000 0.225 105 L C 2.021 178.924 176.870 0.054 0.000 1.148 105 L CA 1.559 56.420 54.840 0.035 0.000 0.808 105 L CB -0.551 41.528 42.059 0.033 0.000 0.928 105 L HN 0.786 nan 8.230 nan 0.000 0.448 106 E N -2.160 118.076 120.200 0.060 0.000 2.465 106 E HA -0.053 4.298 4.350 0.002 0.000 0.191 106 E C 0.098 176.775 176.600 0.128 0.000 1.053 106 E CA -0.133 56.328 56.400 0.103 0.000 0.869 106 E CB -0.290 29.466 29.700 0.094 0.000 0.977 106 E HN 0.291 nan 8.360 nan 0.000 0.483 107 D N 1.503 121.933 120.400 0.050 0.000 2.455 107 D HA -0.036 4.605 4.640 0.002 0.000 0.234 107 D C 0.551 176.841 176.300 -0.017 0.000 1.224 107 D CA -0.522 53.456 54.000 -0.036 0.000 0.999 107 D CB -0.156 40.603 40.800 -0.069 0.000 1.072 107 D HN 0.320 nan 8.370 nan 0.000 0.514 108 F N 2.204 122.159 119.950 0.009 0.000 2.365 108 F HA -0.003 4.523 4.527 -0.000 0.000 0.300 108 F C 1.544 177.352 175.800 0.012 0.000 1.090 108 F CA 0.401 58.408 58.000 0.013 0.000 1.408 108 F CB -0.528 38.479 39.000 0.012 0.000 1.060 108 F HN 0.196 nan 8.300 nan 0.000 0.534 109 I N 0.228 120.464 120.570 -0.558 0.000 2.233 109 I HA -0.163 4.008 4.170 0.002 0.000 0.243 109 I C 2.435 178.460 176.117 -0.154 0.000 1.093 109 I CA 1.025 62.100 61.300 -0.375 0.000 1.380 109 I CB -0.536 37.155 38.000 -0.515 0.000 1.067 109 I HN 0.320 nan 8.210 nan 0.000 0.413 110 L N 1.367 122.504 121.223 -0.142 0.000 1.988 110 L HA -0.146 4.195 4.340 0.002 0.000 0.207 110 L C 2.646 179.502 176.870 -0.023 0.000 1.071 110 L CA 1.803 56.597 54.840 -0.076 0.000 0.744 110 L CB -0.612 41.404 42.059 -0.071 0.000 0.893 110 L HN -0.005 nan 8.230 nan 0.000 0.433 111 R N -0.429 120.075 120.500 0.007 0.000 2.127 111 R HA -0.201 4.140 4.340 0.002 0.000 0.238 111 R C 2.314 178.660 176.300 0.075 0.000 1.134 111 R CA 1.619 57.748 56.100 0.047 0.000 0.975 111 R CB -0.365 29.977 30.300 0.070 0.000 0.865 111 R HN 0.632 nan 8.270 nan 0.000 0.447 112 E N 0.985 121.237 120.200 0.087 0.000 2.047 112 E HA -0.239 4.112 4.350 0.002 0.000 0.191 112 E C 1.856 178.517 176.600 0.101 0.000 0.987 112 E CA 1.185 57.651 56.400 0.108 0.000 0.799 112 E CB 0.094 29.864 29.700 0.116 0.000 0.752 112 E HN 0.156 nan 8.360 nan 0.000 0.449 113 K N 0.266 120.698 120.400 0.054 0.000 2.063 113 K HA -0.135 4.186 4.320 0.002 0.000 0.208 113 K C 2.080 178.729 176.600 0.082 0.000 1.048 113 K CA 1.453 57.766 56.287 0.044 0.000 0.928 113 K CB -0.003 32.489 32.500 -0.015 0.000 0.713 113 K HN 0.194 nan 8.250 nan 0.000 0.442 114 I N 0.751 121.356 120.570 0.058 0.000 2.617 114 I HA -0.138 4.033 4.170 0.002 0.000 0.256 114 I C 1.924 178.117 176.117 0.127 0.000 1.167 114 I CA 1.052 62.400 61.300 0.079 0.000 1.469 114 I CB -0.982 37.029 38.000 0.018 0.000 1.098 114 I HN 0.214 nan 8.210 nan 0.000 0.436 115 T N -0.292 114.330 114.554 0.114 0.000 2.788 115 T HA -0.207 4.144 4.350 0.002 0.000 0.268 115 T C 1.938 176.729 174.700 0.153 0.000 1.044 115 T CA 1.295 63.461 62.100 0.111 0.000 1.139 115 T CB -0.381 68.590 68.868 0.172 0.000 0.867 115 T HN 0.343 nan 8.240 nan 0.000 0.454 116 H N -0.160 118.980 119.070 0.116 0.000 2.428 116 H HA 0.005 4.567 4.556 0.010 0.000 0.296 116 H C 2.110 177.487 175.328 0.082 0.000 1.062 116 H CA 0.993 57.108 56.048 0.112 0.000 1.350 116 H CB -0.293 29.522 29.762 0.089 0.000 1.403 116 H HN 0.385 nan 8.280 nan 0.000 0.533 117 F N 2.135 122.121 119.950 0.060 0.000 2.075 117 F HA -0.174 4.358 4.527 0.008 0.000 0.297 117 F C 1.916 177.652 175.800 -0.107 0.000 1.113 117 F CA 1.654 59.646 58.000 -0.014 0.000 1.218 117 F CB -0.380 38.610 39.000 -0.018 0.000 0.984 117 F HN 0.039 nan 8.300 nan 0.000 0.472 118 D N -1.056 119.261 120.400 -0.138 0.000 2.315 118 D HA -0.168 4.473 4.640 0.002 0.000 0.211 118 D C 1.151 177.129 176.300 -0.537 0.000 0.977 118 D CA 1.284 55.044 54.000 -0.400 0.000 0.894 118 D CB -0.350 40.154 40.800 -0.492 0.000 0.910 118 D HN 0.487 nan 8.370 nan 0.000 0.490 119 H N -0.910 118.055 119.070 -0.174 0.000 2.649 119 H HA 0.213 4.782 4.556 0.022 0.000 0.258 119 H C 1.164 176.333 175.328 -0.265 0.000 1.165 119 H CA -0.250 55.686 56.048 -0.187 0.000 1.006 119 H CB 0.396 30.072 29.762 -0.144 0.000 1.743 119 H HN 0.219 nan 8.280 nan 0.000 0.609 120 E N 0.914 120.967 120.200 -0.245 0.000 2.097 120 E HA -0.116 4.234 4.350 0.002 0.000 0.196 120 E C 0.404 176.849 176.600 -0.258 0.000 1.000 120 E CA 0.956 57.171 56.400 -0.308 0.000 0.804 120 E CB 0.332 29.828 29.700 -0.340 0.000 0.740 120 E HN 0.140 nan 8.360 nan 0.000 0.454 121 R N 1.241 121.658 120.500 -0.139 0.000 2.265 121 R HA 0.274 4.615 4.340 0.002 0.000 0.314 121 R C 0.363 176.698 176.300 0.058 0.000 1.053 121 R CA -0.199 55.888 56.100 -0.023 0.000 0.931 121 R CB 0.334 30.614 30.300 -0.034 0.000 1.024 121 R HN 0.210 nan 8.270 nan 0.000 0.457 122 I N -0.160 120.510 120.570 0.167 0.000 2.924 122 I HA 0.554 4.725 4.170 0.002 0.000 0.316 122 I C -1.912 174.253 176.117 0.080 0.000 1.014 122 I CA -2.797 58.581 61.300 0.129 0.000 1.106 122 I CB 0.620 38.727 38.000 0.180 0.000 1.311 122 I HN 0.239 nan 8.210 nan 0.000 0.502 123 P HA 0.053 nan 4.420 nan 0.000 0.265 123 P C -0.997 176.318 177.300 0.024 0.000 1.187 123 P CA -0.017 63.096 63.100 0.023 0.000 0.766 123 P CB 0.384 32.087 31.700 0.004 0.000 0.820 124 E N 2.278 122.495 120.200 0.028 0.000 2.312 124 E HA 0.323 4.674 4.350 0.002 0.000 0.259 124 E C -0.434 176.175 176.600 0.016 0.000 1.122 124 E CA -1.020 55.400 56.400 0.034 0.000 0.922 124 E CB 0.726 30.455 29.700 0.049 0.000 1.109 124 E HN 0.230 nan 8.360 nan 0.000 0.442 125 R N 0.454 120.969 120.500 0.025 0.000 2.570 125 R HA 0.044 4.385 4.340 0.002 0.000 0.277 125 R C 1.157 177.472 176.300 0.025 0.000 1.039 125 R CA 0.151 56.261 56.100 0.016 0.000 1.065 125 R CB 0.212 30.539 30.300 0.045 0.000 0.964 125 R HN 0.702 nan 8.270 nan 0.000 0.428 126 I N 2.061 122.638 120.570 0.011 0.000 2.493 126 I HA -0.095 4.076 4.170 0.002 0.000 0.254 126 I C 0.249 176.393 176.117 0.044 0.000 1.160 126 I CA 0.904 62.216 61.300 0.021 0.000 1.445 126 I CB 0.397 38.409 38.000 0.019 0.000 1.086 126 I HN 0.245 nan 8.210 nan 0.000 0.433 127 V N -2.879 117.086 119.914 0.085 0.000 3.078 127 V HA 0.498 4.618 4.120 0.002 0.000 0.311 127 V C 0.035 176.251 176.094 0.203 0.000 1.138 127 V CA -0.835 61.536 62.300 0.118 0.000 1.007 127 V CB 1.081 33.035 31.823 0.220 0.000 1.045 127 V HN 0.395 nan 8.190 nan 0.000 0.432 128 H N 0.294 119.409 119.070 0.074 0.000 2.791 128 H HA -0.221 4.335 4.556 0.000 0.000 0.302 128 H C 1.488 176.848 175.328 0.053 0.000 1.198 128 H CA 0.834 56.920 56.048 0.065 0.000 1.145 128 H CB -1.016 28.776 29.762 0.050 0.000 1.385 128 H HN 1.162 nan 8.280 nan 0.000 0.409 129 A N 0.239 123.132 122.820 0.121 0.000 2.015 129 A HA -0.141 4.179 4.320 0.002 0.000 0.219 129 A C 2.313 179.975 177.584 0.130 0.000 1.163 129 A CA 1.628 53.728 52.037 0.105 0.000 0.646 129 A CB -0.139 18.904 19.000 0.072 0.000 0.806 129 A HN 0.336 nan 8.150 nan 0.000 0.448 130 R N 0.075 120.656 120.500 0.135 0.000 2.124 130 R HA 0.238 4.579 4.340 0.002 0.000 0.215 130 R C 1.106 177.534 176.300 0.214 0.000 1.145 130 R CA 1.236 57.435 56.100 0.165 0.000 0.898 130 R CB -1.422 28.970 30.300 0.153 0.000 0.790 130 R HN 1.110 nan 8.270 nan 0.000 0.458 131 G N -0.352 108.571 108.800 0.204 0.000 3.068 131 G HA2 -0.155 3.806 3.960 0.002 0.000 0.685 131 G HA3 -0.155 3.806 3.960 0.002 0.000 0.685 131 G C -0.883 174.169 174.900 0.255 0.000 1.142 131 G CA 0.160 45.365 45.100 0.176 0.000 0.977 131 G HN 0.528 nan 8.290 nan 0.000 0.567 132 S N 0.514 116.332 115.700 0.197 0.000 2.571 132 S HA 0.909 5.379 4.470 0.002 0.000 0.284 132 S C 0.285 174.950 174.600 0.108 0.000 1.128 132 S CA 0.079 58.451 58.200 0.287 0.000 0.970 132 S CB 2.003 65.450 63.200 0.411 0.000 1.039 132 S HN 2.068 nan 8.310 nan 0.000 0.485 133 A N 1.721 124.560 122.820 0.031 0.000 2.423 133 A HA 1.034 5.355 4.320 0.002 0.000 0.304 133 A C -0.625 176.829 177.584 -0.216 0.000 1.104 133 A CA -0.742 51.126 52.037 -0.282 0.000 0.757 133 A CB 1.571 20.228 19.000 -0.571 0.000 1.313 133 A HN 1.318 nan 8.150 nan 0.000 0.423 134 A N 0.579 123.150 122.820 -0.415 0.000 2.609 134 A HA 0.733 5.054 4.320 0.002 0.000 0.291 134 A C -1.161 176.268 177.584 -0.259 0.000 1.096 134 A CA -0.651 51.263 52.037 -0.205 0.000 0.684 134 A CB 0.825 19.781 19.000 -0.074 0.000 1.282 134 A HN 0.877 nan 8.150 nan 0.000 0.412 135 H N -0.401 118.705 119.070 0.060 0.000 2.483 135 H HA 0.716 5.273 4.556 0.001 0.000 0.338 135 H C 0.591 175.928 175.328 0.016 0.000 1.152 135 H CA 0.814 56.943 56.048 0.135 0.000 1.264 135 H CB 1.838 31.677 29.762 0.128 0.000 1.510 135 H HN 1.228 nan 8.280 nan 0.000 0.530 136 G N 0.953 109.858 108.800 0.175 0.000 2.393 136 G HA2 0.286 4.247 3.960 0.002 0.000 0.264 136 G HA3 0.286 4.247 3.960 0.002 0.000 0.264 136 G C -2.078 172.934 174.900 0.188 0.000 1.221 136 G CA -0.519 44.638 45.100 0.096 0.000 0.912 136 G HN 0.600 nan 8.290 nan 0.000 0.483 137 Y N -1.661 118.682 120.300 0.072 0.000 2.625 137 Y HA 0.848 5.399 4.550 0.001 0.000 0.338 137 Y C -1.732 174.303 175.900 0.226 0.000 1.123 137 Y CA -2.332 55.856 58.100 0.147 0.000 1.046 137 Y CB 1.564 40.092 38.460 0.114 0.000 1.299 137 Y HN 0.805 nan 8.280 nan 0.000 0.464 138 F N 2.102 122.169 119.950 0.196 0.000 2.522 138 F HA 0.710 5.238 4.527 0.002 0.000 0.324 138 F C -0.939 175.074 175.800 0.356 0.000 1.077 138 F CA -0.663 57.489 58.000 0.253 0.000 0.944 138 F CB 2.184 41.473 39.000 0.482 0.000 1.175 138 F HN 0.758 nan 8.300 nan 0.000 0.468 139 Q N 7.171 126.511 119.800 -0.765 0.000 2.281 139 Q HA 0.418 4.758 4.340 0.002 0.000 0.263 139 Q C -2.943 172.521 176.000 -0.894 0.000 0.989 139 Q CA -2.326 53.149 55.803 -0.547 0.000 0.852 139 Q CB 2.835 31.544 28.738 -0.049 0.000 1.337 139 Q HN 0.341 nan 8.270 nan 0.000 0.418 140 P HA 0.014 nan 4.420 nan 0.000 0.275 140 P C -0.261 176.954 177.300 -0.141 0.000 1.228 140 P CA -0.022 62.856 63.100 -0.370 0.000 0.786 140 P CB 0.600 32.225 31.700 -0.126 0.000 0.927 141 Y N 1.460 121.696 120.300 -0.107 0.000 2.314 141 Y HA -0.049 4.502 4.550 0.002 0.000 0.293 141 Y C 1.467 177.337 175.900 -0.049 0.000 1.129 141 Y CA 1.031 59.092 58.100 -0.065 0.000 1.201 141 Y CB -0.358 38.070 38.460 -0.053 0.000 0.999 141 Y HN 0.449 nan 8.280 nan 0.000 0.541 142 K N -2.547 117.918 120.400 0.108 0.000 2.571 142 K HA 0.447 4.768 4.320 0.002 0.000 0.289 142 K C -0.744 175.862 176.600 0.011 0.000 1.028 142 K CA -0.895 55.421 56.287 0.048 0.000 0.895 142 K CB 1.327 33.851 32.500 0.040 0.000 1.534 142 K HN -0.271 nan 8.250 nan 0.000 0.421 143 S N 0.507 116.209 115.700 0.003 0.000 2.531 143 S HA 0.240 4.711 4.470 0.002 0.000 0.279 143 S C 0.166 174.755 174.600 -0.018 0.000 1.305 143 S CA -0.751 57.443 58.200 -0.010 0.000 1.058 143 S CB -0.193 63.006 63.200 -0.003 0.000 0.899 143 S HN 0.529 nan 8.310 nan 0.000 0.493 144 L N 4.884 126.087 121.223 -0.034 0.000 3.034 144 L HA 0.224 4.565 4.340 0.002 0.000 0.245 144 L C 1.507 178.366 176.870 -0.018 0.000 1.295 144 L CA -0.272 54.557 54.840 -0.019 0.000 1.068 144 L CB -0.027 42.025 42.059 -0.011 0.000 1.426 144 L HN 0.604 nan 8.230 nan 0.000 0.531 145 S N 0.483 116.171 115.700 -0.020 0.000 2.469 145 S HA -0.168 4.303 4.470 0.002 0.000 0.238 145 S C 1.422 176.010 174.600 -0.020 0.000 0.998 145 S CA 1.704 59.891 58.200 -0.022 0.000 0.957 145 S CB -0.205 62.985 63.200 -0.016 0.000 0.764 145 S HN 0.729 nan 8.310 nan 0.000 0.514 146 D N 2.027 122.419 120.400 -0.013 0.000 2.183 146 D HA -0.084 4.557 4.640 0.002 0.000 0.203 146 D C 1.637 177.925 176.300 -0.019 0.000 0.969 146 D CA 1.004 54.997 54.000 -0.012 0.000 0.842 146 D CB -0.353 40.444 40.800 -0.003 0.000 0.957 146 D HN 0.652 nan 8.370 nan 0.000 0.484 147 I N -3.759 116.802 120.570 -0.016 0.000 4.139 147 I HA 0.259 4.430 4.170 0.002 0.000 0.320 147 I C 0.436 176.519 176.117 -0.057 0.000 1.290 147 I CA -0.211 61.072 61.300 -0.027 0.000 1.253 147 I CB 0.790 38.796 38.000 0.011 0.000 1.122 147 I HN -0.086 nan 8.210 nan 0.000 0.421 148 T N 1.712 116.235 114.554 -0.053 0.000 2.993 148 T HA 0.323 4.674 4.350 0.002 0.000 0.312 148 T C -0.180 174.477 174.700 -0.071 0.000 1.115 148 T CA -0.763 61.289 62.100 -0.080 0.000 1.027 148 T CB 1.694 70.509 68.868 -0.087 0.000 1.116 148 T HN 0.422 nan 8.240 nan 0.000 0.464 149 K N 2.550 122.907 120.400 -0.073 0.000 2.469 149 K HA 0.574 4.895 4.320 0.002 0.000 0.201 149 K C 0.617 177.194 176.600 -0.038 0.000 1.028 149 K CA -0.405 55.851 56.287 -0.051 0.000 1.170 149 K CB 0.299 32.770 32.500 -0.048 0.000 0.874 149 K HN 0.450 nan 8.250 nan 0.000 0.507 150 A N 2.212 124.998 122.820 -0.057 0.000 2.473 150 A HA -0.028 4.293 4.320 0.002 0.000 0.282 150 A C 0.650 178.231 177.584 -0.005 0.000 1.163 150 A CA 0.005 52.028 52.037 -0.023 0.000 0.827 150 A CB -0.192 18.760 19.000 -0.079 0.000 1.098 150 A HN 0.547 nan 8.150 nan 0.000 0.515 151 D N 2.749 123.191 120.400 0.070 0.000 2.149 151 D HA -0.301 4.340 4.640 0.002 0.000 0.194 151 D C 1.341 177.730 176.300 0.149 0.000 1.001 151 D CA 2.470 56.527 54.000 0.095 0.000 0.849 151 D CB -0.265 40.605 40.800 0.117 0.000 0.939 151 D HN 0.769 nan 8.370 nan 0.000 0.449 152 F N -0.292 119.683 119.950 0.043 0.000 2.494 152 F HA 0.074 4.603 4.527 0.003 0.000 0.298 152 F C 1.176 177.073 175.800 0.161 0.000 1.106 152 F CA 0.640 58.709 58.000 0.114 0.000 1.452 152 F CB -0.439 38.616 39.000 0.091 0.000 1.085 152 F HN 0.052 nan 8.300 nan 0.000 0.569 153 L N 0.447 121.451 121.223 -0.365 0.000 2.808 153 L HA 0.182 4.523 4.340 0.002 0.000 0.246 153 L C 2.019 178.812 176.870 -0.128 0.000 1.153 153 L CA 0.524 55.163 54.840 -0.334 0.000 0.956 153 L CB -0.138 41.576 42.059 -0.576 0.000 1.270 153 L HN 0.313 nan 8.230 nan 0.000 0.528 154 S N -2.183 113.482 115.700 -0.057 0.000 2.470 154 S HA 0.001 4.472 4.470 0.002 0.000 0.225 154 S C 0.476 175.076 174.600 -0.001 0.000 1.006 154 S CA 0.086 58.273 58.200 -0.022 0.000 0.934 154 S CB 0.118 63.319 63.200 0.002 0.000 0.778 154 S HN 0.348 nan 8.310 nan 0.000 0.517 155 D N 0.886 121.295 120.400 0.014 0.000 2.936 155 D HA 0.360 5.000 4.640 0.002 0.000 0.238 155 D C -2.350 173.963 176.300 0.022 0.000 1.248 155 D CA -2.136 51.876 54.000 0.021 0.000 0.903 155 D CB 2.226 43.045 40.800 0.032 0.000 1.544 155 D HN -0.140 nan 8.370 nan 0.000 0.543 156 P HA -0.086 nan 4.420 nan 0.000 0.222 156 P C 0.438 177.753 177.300 0.026 0.000 1.147 156 P CA 0.574 63.687 63.100 0.021 0.000 0.790 156 P CB 0.450 32.174 31.700 0.040 0.000 0.780 157 N N 0.039 118.757 118.700 0.031 0.000 2.461 157 N HA -0.018 4.723 4.740 0.002 0.000 0.188 157 N C 0.648 176.183 175.510 0.042 0.000 1.134 157 N CA 0.414 53.483 53.050 0.032 0.000 0.878 157 N CB 0.002 38.505 38.487 0.027 0.000 0.972 157 N HN 0.346 nan 8.380 nan 0.000 0.456 158 K N 1.635 122.072 120.400 0.060 0.000 2.316 158 K HA 0.263 4.584 4.320 0.002 0.000 0.267 158 K C -0.523 176.155 176.600 0.131 0.000 1.025 158 K CA -0.640 55.705 56.287 0.095 0.000 0.896 158 K CB 0.517 33.081 32.500 0.106 0.000 1.124 158 K HN -0.053 nan 8.250 nan 0.000 0.451 159 I N 0.797 121.447 120.570 0.133 0.000 2.498 159 I HA 0.466 4.637 4.170 0.002 0.000 0.301 159 I C -0.903 175.379 176.117 0.275 0.000 0.984 159 I CA 0.115 61.532 61.300 0.196 0.000 1.204 159 I CB 2.312 40.368 38.000 0.092 0.000 1.362 159 I HN 0.406 nan 8.210 nan 0.000 0.471 160 T N 6.352 121.158 114.554 0.421 0.000 2.812 160 T HA 0.504 4.855 4.350 0.002 0.000 0.282 160 T C -2.670 172.297 174.700 0.445 0.000 0.990 160 T CA -1.068 61.308 62.100 0.461 0.000 0.960 160 T CB 1.600 70.862 68.868 0.656 0.000 0.948 160 T HN 0.480 nan 8.240 nan 0.000 0.438 161 P HA 0.178 nan 4.420 nan 0.000 0.263 161 P C -0.564 176.995 177.300 0.431 0.000 1.195 161 P CA -0.271 63.044 63.100 0.358 0.000 0.762 161 P CB 0.384 32.226 31.700 0.237 0.000 0.799 162 V N 1.552 121.641 119.914 0.293 0.000 3.046 162 V HA 0.716 4.837 4.120 0.002 0.000 0.316 162 V C -1.022 175.249 176.094 0.295 0.000 1.104 162 V CA -0.985 61.388 62.300 0.122 0.000 1.006 162 V CB 2.144 33.809 31.823 -0.262 0.000 1.058 162 V HN 0.267 nan 8.190 nan 0.000 0.440 163 F N 2.019 121.981 119.950 0.020 0.000 2.529 163 F HA 0.851 5.378 4.527 0.000 0.000 0.320 163 F C -0.813 174.915 175.800 -0.121 0.000 1.118 163 F CA -0.928 57.053 58.000 -0.032 0.000 0.915 163 F CB 1.982 41.032 39.000 0.084 0.000 1.161 163 F HN 0.511 nan 8.300 nan 0.000 0.445 164 V N 6.463 125.898 119.914 -0.799 0.000 2.656 164 V HA 0.574 4.695 4.120 0.002 0.000 0.307 164 V C -0.817 174.661 176.094 -1.025 0.000 1.051 164 V CA -0.877 60.921 62.300 -0.837 0.000 0.893 164 V CB 2.091 33.421 31.823 -0.821 0.000 0.999 164 V HN 0.742 nan 8.190 nan 0.000 0.426 165 R N 3.279 123.160 120.500 -1.031 0.000 2.439 165 R HA 0.621 4.962 4.340 0.002 0.000 0.310 165 R C -1.639 174.122 176.300 -0.898 0.000 0.955 165 R CA -0.429 55.201 56.100 -0.784 0.000 0.853 165 R CB 1.109 31.124 30.300 -0.475 0.000 1.171 165 R HN 0.534 nan 8.270 nan 0.000 0.449 166 F N 1.848 121.431 119.950 -0.613 0.000 2.399 166 F HA 0.501 5.029 4.527 0.002 0.000 0.328 166 F C 0.636 176.104 175.800 -0.555 0.000 1.084 166 F CA -0.121 57.395 58.000 -0.807 0.000 1.053 166 F CB 1.989 40.076 39.000 -1.521 0.000 1.209 166 F HN 0.570 nan 8.300 nan 0.000 0.502 167 S N -0.960 114.646 115.700 -0.157 0.000 2.625 167 S HA 0.744 5.215 4.470 0.002 0.000 0.271 167 S C -0.547 174.163 174.600 0.185 0.000 1.161 167 S CA -0.706 57.540 58.200 0.076 0.000 0.820 167 S CB 1.511 64.807 63.200 0.160 0.000 1.137 167 S HN 0.729 nan 8.310 nan 0.000 0.470 168 T N -1.680 112.991 114.554 0.196 0.000 2.893 168 T HA 0.719 5.070 4.350 0.002 0.000 0.281 168 T C 0.717 175.385 174.700 -0.054 0.000 1.027 168 T CA -0.147 62.037 62.100 0.140 0.000 0.953 168 T CB 0.414 69.366 68.868 0.139 0.000 1.434 168 T HN 0.616 nan 8.240 nan 0.000 0.597 169 V N -0.235 119.596 119.914 -0.138 0.000 3.029 169 V HA 0.139 4.260 4.120 0.002 0.000 0.230 169 V C 2.697 178.693 176.094 -0.164 0.000 1.254 169 V CA 0.254 62.343 62.300 -0.351 0.000 1.276 169 V CB -0.188 31.520 31.823 -0.192 0.000 1.080 169 V HN 0.835 nan 8.190 nan 0.000 0.495 170 Q N 1.137 120.881 119.800 -0.093 0.000 2.033 170 Q HA 0.069 4.410 4.340 0.002 0.000 0.196 170 Q C 1.287 177.250 176.000 -0.063 0.000 0.970 170 Q CA 1.450 57.197 55.803 -0.093 0.000 0.828 170 Q CB -0.307 28.363 28.738 -0.113 0.000 0.895 170 Q HN 0.581 nan 8.270 nan 0.000 0.440 171 G N -0.157 108.624 108.800 -0.031 0.000 2.569 171 G HA2 0.397 4.358 3.960 0.002 0.000 0.249 171 G HA3 0.397 4.358 3.960 0.002 0.000 0.249 171 G C 0.153 175.052 174.900 -0.002 0.000 1.216 171 G CA 0.075 45.163 45.100 -0.019 0.000 0.845 171 G HN 0.339 nan 8.290 nan 0.000 0.568 172 G N -0.998 107.799 108.800 -0.004 0.000 2.611 172 G HA2 0.468 4.429 3.960 0.002 0.000 0.273 172 G HA3 0.468 4.429 3.960 0.002 0.000 0.273 172 G C 1.347 176.273 174.900 0.044 0.000 1.305 172 G CA 0.404 45.513 45.100 0.014 0.000 1.010 172 G HN 1.090 nan 8.290 nan 0.000 0.509 173 A N -0.988 121.870 122.820 0.064 0.000 2.125 173 A HA 0.133 4.454 4.320 0.002 0.000 0.219 173 A C 2.245 179.873 177.584 0.074 0.000 1.156 173 A CA 1.912 54.007 52.037 0.098 0.000 0.671 173 A CB -0.391 18.687 19.000 0.130 0.000 0.794 173 A HN 1.047 nan 8.150 nan 0.000 0.459 174 G N -0.180 108.644 108.800 0.040 0.000 3.042 174 G HA2 0.283 4.244 3.960 0.002 0.000 0.212 174 G HA3 0.283 4.244 3.960 0.002 0.000 0.212 174 G C 0.772 175.680 174.900 0.013 0.000 1.166 174 G CA 0.630 45.740 45.100 0.018 0.000 0.767 174 G HN 0.648 nan 8.290 nan 0.000 0.546 175 S N -0.097 115.617 115.700 0.024 0.000 2.624 175 S HA 0.687 5.158 4.470 0.002 0.000 0.263 175 S C 0.494 175.113 174.600 0.031 0.000 1.287 175 S CA -0.135 58.076 58.200 0.019 0.000 0.990 175 S CB 1.599 64.811 63.200 0.020 0.000 0.950 175 S HN 0.546 nan 8.310 nan 0.000 0.561 176 A N 0.558 123.391 122.820 0.022 0.000 2.371 176 A HA 0.335 4.656 4.320 0.002 0.000 0.257 176 A C 0.791 178.406 177.584 0.053 0.000 1.089 176 A CA -0.524 51.527 52.037 0.023 0.000 0.794 176 A CB -0.156 18.841 19.000 -0.004 0.000 1.029 176 A HN 0.887 nan 8.150 nan 0.000 0.488 177 D N 0.680 121.109 120.400 0.049 0.000 2.103 177 D HA -0.076 4.565 4.640 0.002 0.000 0.199 177 D C 1.471 177.775 176.300 0.007 0.000 0.978 177 D CA 2.268 56.315 54.000 0.078 0.000 0.829 177 D CB -0.294 40.532 40.800 0.043 0.000 0.981 177 D HN 0.678 nan 8.370 nan 0.000 0.464 178 T N 0.151 114.634 114.554 -0.119 0.000 3.467 178 T HA 0.311 4.662 4.350 0.002 0.000 0.232 178 T C 0.792 175.493 174.700 0.001 0.000 0.876 178 T CA -0.584 61.433 62.100 -0.139 0.000 0.939 178 T CB -0.851 67.845 68.868 -0.287 0.000 1.165 178 T HN -0.065 nan 8.240 nan 0.000 0.615 179 V N -1.362 118.603 119.914 0.085 0.000 3.264 179 V HA 0.493 4.614 4.120 0.002 0.000 0.304 179 V C 0.632 176.858 176.094 0.219 0.000 1.086 179 V CA -1.552 60.838 62.300 0.150 0.000 1.090 179 V CB 0.689 32.584 31.823 0.119 0.000 1.112 179 V HN 0.534 nan 8.190 nan 0.000 0.472 180 R N 1.533 122.194 120.500 0.268 0.000 2.216 180 R HA 0.484 4.825 4.340 0.002 0.000 0.332 180 R C -0.977 175.381 176.300 0.096 0.000 1.056 180 R CA 0.017 56.219 56.100 0.171 0.000 0.901 180 R CB 0.028 30.330 30.300 0.004 0.000 1.039 180 R HN 1.068 nan 8.270 nan 0.000 0.456 181 D N 3.128 123.600 120.400 0.119 0.000 2.764 181 D HA 0.169 4.810 4.640 0.002 0.000 0.293 181 D C -0.976 175.419 176.300 0.159 0.000 1.287 181 D CA -0.617 53.445 54.000 0.104 0.000 0.768 181 D CB 1.089 41.941 40.800 0.087 0.000 1.288 181 D HN 0.221 nan 8.370 nan 0.000 0.426 182 I N 1.635 122.308 120.570 0.172 0.000 2.575 182 I HA 0.287 4.458 4.170 0.002 0.000 0.285 182 I C 0.812 177.056 176.117 0.211 0.000 1.085 182 I CA -0.186 61.234 61.300 0.200 0.000 1.403 182 I CB 0.163 38.305 38.000 0.238 0.000 1.409 182 I HN 0.237 nan 8.210 nan 0.000 0.557 183 R N 3.523 124.170 120.500 0.245 0.000 2.474 183 R HA 0.577 4.918 4.340 0.002 0.000 0.295 183 R C 0.143 176.612 176.300 0.281 0.000 0.980 183 R CA -0.667 55.589 56.100 0.259 0.000 0.934 183 R CB 1.450 31.919 30.300 0.283 0.000 1.101 183 R HN 0.812 nan 8.270 nan 0.000 0.469 184 G N 0.635 109.618 108.800 0.305 0.000 2.504 184 G HA2 0.482 4.443 3.960 0.002 0.000 0.288 184 G HA3 0.482 4.443 3.960 0.002 0.000 0.288 184 G C -1.291 173.632 174.900 0.039 0.000 1.182 184 G CA -0.061 45.158 45.100 0.199 0.000 0.894 184 G HN 0.359 nan 8.290 nan 0.000 0.521 185 F N 1.061 120.839 119.950 -0.287 0.000 3.228 185 F HA 0.608 5.135 4.527 0.001 0.000 0.385 185 F C -0.221 175.205 175.800 -0.624 0.000 1.247 185 F CA -1.664 56.032 58.000 -0.506 0.000 1.211 185 F CB 0.942 39.759 39.000 -0.306 0.000 1.719 185 F HN 0.672 nan 8.300 nan 0.000 0.630 186 A N 3.242 125.704 122.820 -0.595 0.000 2.303 186 A HA 0.800 5.121 4.320 0.002 0.000 0.320 186 A C -0.580 176.500 177.584 -0.840 0.000 1.192 186 A CA -0.418 51.127 52.037 -0.821 0.000 0.821 186 A CB 0.814 18.982 19.000 -1.386 0.000 1.188 186 A HN 0.517 nan 8.150 nan 0.000 0.492 187 T N 2.306 116.529 114.554 -0.551 0.000 2.812 187 T HA 0.392 4.743 4.350 0.002 0.000 0.282 187 T C -0.377 174.125 174.700 -0.330 0.000 0.990 187 T CA -0.495 61.314 62.100 -0.485 0.000 0.960 187 T CB 1.154 69.690 68.868 -0.552 0.000 0.948 187 T HN 0.631 nan 8.240 nan 0.000 0.438 188 K N 3.257 123.553 120.400 -0.173 0.000 2.263 188 K HA 0.455 4.776 4.320 0.002 0.000 0.272 188 K C -1.310 175.009 176.600 -0.469 0.000 1.033 188 K CA -0.598 55.547 56.287 -0.236 0.000 0.884 188 K CB 0.365 32.767 32.500 -0.162 0.000 1.107 188 K HN 0.414 nan 8.250 nan 0.000 0.460 189 F N 4.508 124.182 119.950 -0.459 0.000 2.361 189 F HA 0.236 4.764 4.527 0.001 0.000 0.364 189 F C -0.474 175.126 175.800 -0.334 0.000 1.120 189 F CA -0.643 57.155 58.000 -0.336 0.000 1.102 189 F CB 0.686 39.431 39.000 -0.425 0.000 1.183 189 F HN 0.459 nan 8.300 nan 0.000 0.476 190 Y N 1.778 122.164 120.300 0.143 0.000 2.570 190 Y HA 0.188 4.737 4.550 -0.000 0.000 0.336 190 Y C 1.095 177.075 175.900 0.134 0.000 1.284 190 Y CA -0.790 57.371 58.100 0.103 0.000 1.761 190 Y CB -0.475 38.033 38.460 0.080 0.000 1.724 190 Y HN 0.496 nan 8.280 nan 0.000 0.455 191 T N -2.528 112.139 114.554 0.188 0.000 2.902 191 T HA 0.190 4.541 4.350 0.002 0.000 0.280 191 T C 0.988 175.787 174.700 0.164 0.000 0.992 191 T CA -0.706 61.504 62.100 0.182 0.000 1.015 191 T CB 1.159 70.086 68.868 0.098 0.000 1.044 191 T HN 0.617 nan 8.240 nan 0.000 0.520 192 E N 0.070 120.368 120.200 0.163 0.000 2.472 192 E HA -0.034 4.317 4.350 0.002 0.000 0.200 192 E C 1.011 177.679 176.600 0.113 0.000 1.046 192 E CA 0.702 57.181 56.400 0.131 0.000 0.871 192 E CB 0.128 29.900 29.700 0.120 0.000 0.806 192 E HN 0.717 nan 8.360 nan 0.000 0.533 193 E N -0.275 119.992 120.200 0.110 0.000 2.734 193 E HA 0.265 4.616 4.350 0.002 0.000 0.211 193 E C 0.085 176.733 176.600 0.079 0.000 0.991 193 E CA -0.172 56.285 56.400 0.096 0.000 1.065 193 E CB 1.420 31.177 29.700 0.096 0.000 1.047 193 E HN 0.181 nan 8.360 nan 0.000 0.470 194 G N 1.076 109.918 108.800 0.070 0.000 2.355 194 G HA2 -0.070 3.891 3.960 0.002 0.000 0.619 194 G HA3 -0.070 3.891 3.960 0.002 0.000 0.619 194 G C -1.197 173.708 174.900 0.008 0.000 1.337 194 G CA -1.087 44.031 45.100 0.030 0.000 0.993 194 G HN 0.007 nan 8.290 nan 0.000 0.599 195 I N 0.723 121.263 120.570 -0.051 0.000 2.395 195 I HA 0.451 4.622 4.170 0.002 0.000 0.289 195 I C -0.196 175.916 176.117 -0.008 0.000 1.023 195 I CA -0.274 60.971 61.300 -0.092 0.000 1.350 195 I CB 0.975 38.854 38.000 -0.202 0.000 1.409 195 I HN 0.466 nan 8.210 nan 0.000 0.507 196 F N 6.653 126.479 119.950 -0.207 0.000 2.427 196 F HA 0.442 4.970 4.527 0.002 0.000 0.348 196 F C -0.466 175.269 175.800 -0.109 0.000 1.125 196 F CA -1.301 56.551 58.000 -0.247 0.000 0.989 196 F CB 0.691 39.336 39.000 -0.591 0.000 1.165 196 F HN 0.331 nan 8.300 nan 0.000 0.442 197 D N 6.580 126.798 120.400 -0.305 0.000 2.317 197 D HA 0.229 4.870 4.640 0.002 0.000 0.234 197 D C -0.866 174.998 176.300 -0.726 0.000 1.112 197 D CA -0.019 53.760 54.000 -0.369 0.000 0.840 197 D CB 1.804 42.568 40.800 -0.060 0.000 1.078 197 D HN 0.494 nan 8.370 nan 0.000 0.486 198 L N 4.296 125.036 121.223 -0.804 0.000 2.272 198 L HA 0.292 4.633 4.340 0.002 0.000 0.284 198 L C -1.124 175.499 176.870 -0.412 0.000 1.045 198 L CA -0.650 53.769 54.840 -0.701 0.000 0.842 198 L CB 1.211 42.823 42.059 -0.745 0.000 1.224 198 L HN 0.052 nan 8.230 nan 0.000 0.430 199 V N 6.147 125.862 119.914 -0.331 0.000 2.288 199 V HA 0.778 4.899 4.120 0.002 0.000 0.266 199 V C 0.752 176.727 176.094 -0.198 0.000 1.048 199 V CA 0.114 62.238 62.300 -0.294 0.000 0.842 199 V CB 0.332 31.984 31.823 -0.285 0.000 1.064 199 V HN 0.907 nan 8.190 nan 0.000 0.472 200 G N 3.995 112.688 108.800 -0.179 0.000 3.015 200 G HA2 0.625 4.586 3.960 0.002 0.000 0.281 200 G HA3 0.625 4.586 3.960 0.002 0.000 0.281 200 G C -1.017 173.871 174.900 -0.019 0.000 1.386 200 G CA -0.674 44.373 45.100 -0.089 0.000 0.959 200 G HN 0.476 nan 8.290 nan 0.000 0.522 201 N N -0.662 118.077 118.700 0.065 0.000 2.890 201 N HA 0.222 4.963 4.740 0.002 0.000 0.317 201 N C 0.114 175.783 175.510 0.266 0.000 1.355 201 N CA -0.715 52.438 53.050 0.172 0.000 0.803 201 N CB 1.142 39.740 38.487 0.184 0.000 1.465 201 N HN 0.575 nan 8.380 nan 0.000 0.591 202 N N -0.953 117.931 118.700 0.307 0.000 2.313 202 N HA -0.009 4.732 4.740 0.002 0.000 0.207 202 N C -0.577 175.182 175.510 0.415 0.000 1.141 202 N CA -0.132 53.167 53.050 0.414 0.000 0.830 202 N CB -0.207 38.498 38.487 0.363 0.000 1.008 202 N HN 0.547 nan 8.380 nan 0.000 0.481 203 T N -3.812 110.769 114.554 0.045 0.000 2.906 203 T HA 0.478 4.829 4.350 0.002 0.000 0.295 203 T C -2.693 171.317 174.700 -1.150 0.000 1.075 203 T CA -1.467 60.206 62.100 -0.713 0.000 1.005 203 T CB 2.872 71.259 68.868 -0.803 0.000 1.136 203 T HN -0.211 nan 8.240 nan 0.000 0.498 204 P HA 0.257 nan 4.420 nan 0.000 0.261 204 P C 0.244 177.061 177.300 -0.804 0.000 1.268 204 P CA -0.040 62.237 63.100 -1.373 0.000 0.833 204 P CB 0.110 30.913 31.700 -1.494 0.000 1.231 205 I N -4.443 115.625 120.570 -0.837 0.000 3.042 205 I HA 0.550 4.721 4.170 0.002 0.000 0.310 205 I C -1.166 174.675 176.117 -0.460 0.000 1.117 205 I CA -1.552 59.400 61.300 -0.580 0.000 1.003 205 I CB 1.558 39.173 38.000 -0.642 0.000 1.228 205 I HN -0.284 nan 8.210 nan 0.000 0.443 206 F N 1.735 121.429 119.950 -0.427 0.000 2.535 206 F HA 0.568 5.096 4.527 0.002 0.000 0.367 206 F C 0.282 175.860 175.800 -0.371 0.000 1.096 206 F CA -1.115 56.677 58.000 -0.347 0.000 1.088 206 F CB 1.245 40.169 39.000 -0.127 0.000 1.387 206 F HN 0.377 nan 8.300 nan 0.000 0.494 207 F N 1.028 120.209 119.950 -1.281 0.000 2.664 207 F HA 0.275 4.803 4.527 0.001 0.000 0.296 207 F C 0.313 175.774 175.800 -0.565 0.000 1.125 207 F CA 0.476 57.910 58.000 -0.944 0.000 1.444 207 F CB -0.011 38.127 39.000 -1.437 0.000 1.114 207 F HN -0.017 nan 8.300 nan 0.000 0.576 208 I N -1.048 119.457 120.570 -0.107 0.000 2.730 208 I HA 0.183 4.354 4.170 0.002 0.000 0.298 208 I C 0.646 176.904 176.117 0.235 0.000 1.089 208 I CA -0.294 61.074 61.300 0.113 0.000 1.041 208 I CB 2.198 40.302 38.000 0.174 0.000 1.235 208 I HN -0.148 nan 8.210 nan 0.000 0.423 209 Q N 1.247 121.180 119.800 0.221 0.000 2.259 209 Q HA 0.099 4.440 4.340 0.002 0.000 0.201 209 Q C -0.252 175.916 176.000 0.279 0.000 0.938 209 Q CA 0.660 56.630 55.803 0.278 0.000 0.872 209 Q CB 0.461 29.421 28.738 0.371 0.000 0.971 209 Q HN 0.482 nan 8.270 nan 0.000 0.494 210 D N -1.142 119.402 120.400 0.240 0.000 2.362 210 D HA 0.312 4.953 4.640 0.002 0.000 0.247 210 D C -0.045 176.388 176.300 0.221 0.000 1.050 210 D CA -0.202 53.917 54.000 0.199 0.000 0.839 210 D CB 1.852 42.751 40.800 0.164 0.000 1.283 210 D HN 0.056 nan 8.370 nan 0.000 0.477 211 A N 3.318 126.241 122.820 0.173 0.000 2.070 211 A HA -0.227 4.094 4.320 0.002 0.000 0.220 211 A C 1.767 179.484 177.584 0.222 0.000 1.159 211 A CA 1.504 53.642 52.037 0.168 0.000 0.656 211 A CB -0.667 18.379 19.000 0.077 0.000 0.800 211 A HN 0.791 nan 8.150 nan 0.000 0.453 212 H N 0.166 119.310 119.070 0.124 0.000 2.422 212 H HA -0.032 4.525 4.556 0.002 0.000 0.298 212 H C 1.425 176.840 175.328 0.146 0.000 1.098 212 H CA 1.780 57.893 56.048 0.107 0.000 1.315 212 H CB 0.187 29.988 29.762 0.064 0.000 1.382 212 H HN 0.244 nan 8.280 nan 0.000 0.523 213 K N -0.353 120.162 120.400 0.192 0.000 2.444 213 K HA -0.050 4.271 4.320 0.002 0.000 0.193 213 K C 1.567 178.295 176.600 0.213 0.000 1.024 213 K CA 0.035 56.433 56.287 0.185 0.000 1.077 213 K CB -0.270 32.395 32.500 0.276 0.000 0.833 213 K HN 0.282 nan 8.250 nan 0.000 0.517 214 F N 3.025 123.036 119.950 0.103 0.000 2.095 214 F HA -0.110 4.416 4.527 -0.001 0.000 0.298 214 F C -0.992 174.833 175.800 0.042 0.000 1.104 214 F CA 0.965 59.056 58.000 0.152 0.000 1.232 214 F CB -1.021 38.066 39.000 0.146 0.000 0.987 214 F HN 0.028 nan 8.300 nan 0.000 0.475 215 P HA -0.168 nan 4.420 nan 0.000 0.216 215 P C 1.128 178.118 177.300 -0.517 0.000 1.150 215 P CA 2.042 64.932 63.100 -0.349 0.000 0.843 215 P CB -0.068 31.468 31.700 -0.273 0.000 0.787 216 D N -1.688 118.532 120.400 -0.299 0.000 2.123 216 D HA -0.112 4.528 4.640 0.002 0.000 0.200 216 D C 1.778 177.757 176.300 -0.535 0.000 0.976 216 D CA 0.854 54.702 54.000 -0.254 0.000 0.831 216 D CB -0.801 40.016 40.800 0.028 0.000 0.974 216 D HN 0.136 nan 8.370 nan 0.000 0.469 217 F N 2.206 121.722 119.950 -0.724 0.000 2.075 217 F HA -0.212 4.315 4.527 0.001 0.000 0.297 217 F C 2.211 177.635 175.800 -0.627 0.000 1.113 217 F CA 1.106 58.527 58.000 -0.965 0.000 1.218 217 F CB -0.418 38.209 39.000 -0.620 0.000 0.984 217 F HN -0.255 nan 8.300 nan 0.000 0.472 218 V N 0.285 119.724 119.914 -0.791 0.000 2.407 218 V HA -0.331 3.790 4.120 0.002 0.000 0.248 218 V C 2.376 178.249 176.094 -0.367 0.000 1.055 218 V CA 2.356 64.264 62.300 -0.652 0.000 1.049 218 V CB -1.101 30.388 31.823 -0.556 0.000 0.662 218 V HN 0.478 nan 8.190 nan 0.000 0.455 219 H N -0.165 118.665 119.070 -0.400 0.000 2.387 219 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 219 H C 2.326 177.507 175.328 -0.245 0.000 1.099 219 H CA 1.174 57.068 56.048 -0.257 0.000 1.315 219 H CB 0.083 29.740 29.762 -0.175 0.000 1.380 219 H HN 0.494 nan 8.280 nan 0.000 0.513 220 A N 0.697 123.357 122.820 -0.267 0.000 1.929 220 A HA -0.109 4.212 4.320 0.002 0.000 0.216 220 A C 2.616 180.100 177.584 -0.168 0.000 1.176 220 A CA 1.418 53.317 52.037 -0.230 0.000 0.628 220 A CB -0.582 18.168 19.000 -0.417 0.000 0.816 220 A HN 0.260 nan 8.150 nan 0.000 0.444 221 V N -1.311 118.358 119.914 -0.409 0.000 2.379 221 V HA -0.060 4.061 4.120 0.002 0.000 0.245 221 V C 1.047 177.100 176.094 -0.069 0.000 1.044 221 V CA 0.719 62.821 62.300 -0.330 0.000 1.036 221 V CB -0.965 30.509 31.823 -0.580 0.000 0.664 221 V HN 0.226 nan 8.190 nan 0.000 0.453 222 K N 0.868 121.180 120.400 -0.147 0.000 2.344 222 K HA 0.167 4.488 4.320 0.002 0.000 0.260 222 K C -2.271 174.242 176.600 -0.144 0.000 0.988 222 K CA -1.490 54.720 56.287 -0.128 0.000 0.909 222 K CB -0.536 31.881 32.500 -0.139 0.000 0.968 222 K HN 0.205 nan 8.250 nan 0.000 0.505 223 P HA -0.084 nan 4.420 nan 0.000 0.263 223 P C -0.440 176.777 177.300 -0.137 0.000 1.175 223 P CA 0.638 63.593 63.100 -0.241 0.000 0.761 223 P CB 0.330 31.911 31.700 -0.198 0.000 0.794 224 E N 5.791 125.955 120.200 -0.059 0.000 2.392 224 E HA -0.004 4.347 4.350 0.002 0.000 0.264 224 E C -1.231 175.453 176.600 0.138 0.000 1.024 224 E CA -1.347 55.132 56.400 0.130 0.000 0.903 224 E CB 0.065 29.973 29.700 0.347 0.000 0.963 224 E HN 0.414 nan 8.360 nan 0.000 0.432 225 P HA -0.237 nan 4.420 nan 0.000 0.216 225 P C 1.064 178.445 177.300 0.135 0.000 1.150 225 P CA 1.616 64.768 63.100 0.087 0.000 0.837 225 P CB -0.027 31.705 31.700 0.052 0.000 0.786 226 H N -1.119 117.989 119.070 0.063 0.000 2.333 226 H HA -0.070 4.487 4.556 0.001 0.000 0.302 226 H C 1.511 176.947 175.328 0.180 0.000 1.075 226 H CA 1.408 57.487 56.048 0.051 0.000 1.348 226 H CB -1.444 28.279 29.762 -0.064 0.000 1.393 226 H HN 0.330 nan 8.280 nan 0.000 0.509 227 W N -0.155 120.783 121.300 -0.604 0.000 2.870 227 W HA 0.717 5.377 4.660 0.000 0.000 0.358 227 W C 0.483 176.844 176.519 -0.263 0.000 1.043 227 W CA -1.343 55.767 57.345 -0.390 0.000 1.692 227 W CB -0.807 28.376 29.460 -0.463 0.000 1.100 227 W HN 0.427 nan 8.180 nan 0.000 0.557 228 A N 1.176 123.967 122.820 -0.049 0.000 2.687 228 A HA -0.194 4.127 4.320 0.002 0.000 0.299 228 A C -0.317 177.044 177.584 -0.371 0.000 1.497 228 A CA 1.479 53.413 52.037 -0.170 0.000 0.751 228 A CB -2.380 16.543 19.000 -0.129 0.000 1.048 228 A HN 0.470 nan 8.150 nan 0.000 0.464 229 I N 0.637 120.842 120.570 -0.608 0.000 2.646 229 I HA 0.556 4.727 4.170 0.002 0.000 0.299 229 I C -2.198 173.652 176.117 -0.445 0.000 1.036 229 I CA -2.471 58.415 61.300 -0.690 0.000 1.074 229 I CB 2.740 39.912 38.000 -1.379 0.000 1.258 229 I HN 0.225 nan 8.210 nan 0.000 0.430 230 P HA 0.313 nan 4.420 nan 0.000 0.287 230 P C -1.755 175.401 177.300 -0.240 0.000 1.292 230 P CA -0.832 62.088 63.100 -0.299 0.000 0.879 230 P CB 1.655 33.258 31.700 -0.162 0.000 1.214 231 Q N -0.132 119.569 119.800 -0.165 0.000 2.290 231 Q HA 0.519 4.860 4.340 0.002 0.000 0.259 231 Q C 0.819 176.786 176.000 -0.055 0.000 0.941 231 Q CA 0.442 56.177 55.803 -0.114 0.000 0.912 231 Q CB 0.032 28.709 28.738 -0.102 0.000 1.244 231 Q HN 0.809 nan 8.270 nan 0.000 0.441 232 G N 3.236 112.007 108.800 -0.049 0.000 2.249 232 G HA2 -0.285 3.676 3.960 0.002 0.000 0.273 232 G HA3 -0.285 3.676 3.960 0.002 0.000 0.273 232 G C -0.494 174.414 174.900 0.012 0.000 1.036 232 G CA 0.640 45.733 45.100 -0.012 0.000 0.824 232 G HN 0.548 nan 8.290 nan 0.000 0.504 233 Q N -1.248 118.550 119.800 -0.004 0.000 2.379 233 Q HA 0.584 4.925 4.340 0.002 0.000 0.278 233 Q C 0.590 176.611 176.000 0.034 0.000 1.068 233 Q CA -0.254 55.574 55.803 0.042 0.000 0.816 233 Q CB 1.830 30.637 28.738 0.115 0.000 1.387 233 Q HN 0.428 nan 8.270 nan 0.000 0.413 234 S N -0.827 114.810 115.700 -0.105 0.000 2.540 234 S HA 0.245 4.716 4.470 0.002 0.000 0.218 234 S C 0.866 175.427 174.600 -0.064 0.000 0.977 234 S CA -0.087 57.851 58.200 -0.436 0.000 0.918 234 S CB 0.458 62.866 63.200 -1.320 0.000 0.806 234 S HN 0.619 nan 8.310 nan 0.000 0.496 235 A N 2.637 125.614 122.820 0.262 0.000 3.026 235 A HA 0.504 4.825 4.320 0.002 0.000 0.272 235 A C 0.086 177.912 177.584 0.403 0.000 1.782 235 A CA -0.420 51.863 52.037 0.411 0.000 1.451 235 A CB -1.302 17.889 19.000 0.318 0.000 1.081 235 A HN 0.857 nan 8.150 nan 0.000 0.611 236 H N -3.230 116.064 119.070 0.373 0.000 3.037 236 H HA 0.469 5.026 4.556 0.002 0.000 0.336 236 H C -0.266 175.277 175.328 0.358 0.000 1.323 236 H CA -0.688 55.528 56.048 0.281 0.000 1.159 236 H CB 0.205 30.081 29.762 0.190 0.000 1.882 236 H HN 0.103 nan 8.280 nan 0.000 0.535 237 D N 0.518 121.093 120.400 0.291 0.000 2.126 237 D HA -0.230 4.410 4.640 0.002 0.000 0.190 237 D C 2.062 178.445 176.300 0.138 0.000 1.001 237 D CA 3.272 57.386 54.000 0.191 0.000 0.841 237 D CB -0.362 40.524 40.800 0.142 0.000 0.949 237 D HN 0.809 nan 8.370 nan 0.000 0.446 238 T N -1.610 113.029 114.554 0.142 0.000 2.833 238 T HA -0.191 4.160 4.350 0.002 0.000 0.269 238 T C 1.863 176.548 174.700 -0.025 0.000 1.054 238 T CA 0.652 62.807 62.100 0.091 0.000 1.135 238 T CB -0.664 68.302 68.868 0.164 0.000 0.869 238 T HN 0.128 nan 8.240 nan 0.000 0.466 239 F N 1.088 120.799 119.950 -0.398 0.000 2.051 239 F HA 0.058 4.586 4.527 0.001 0.000 0.296 239 F C 1.870 177.462 175.800 -0.347 0.000 1.122 239 F CA 0.634 58.302 58.000 -0.554 0.000 1.201 239 F CB -0.808 37.642 39.000 -0.917 0.000 0.978 239 F HN 0.158 nan 8.300 nan 0.000 0.472 240 W N 0.522 121.706 121.300 -0.193 0.000 2.525 240 W HA -0.095 4.566 4.660 0.003 0.000 0.259 240 W C 2.228 178.646 176.519 -0.169 0.000 1.253 240 W CA 0.846 58.069 57.345 -0.203 0.000 1.262 240 W CB -0.456 28.986 29.460 -0.029 0.000 1.122 240 W HN 0.104 nan 8.180 nan 0.000 0.607 241 D N -0.711 119.723 120.400 0.057 0.000 2.097 241 D HA -0.269 4.372 4.640 0.002 0.000 0.197 241 D C 1.853 178.152 176.300 -0.002 0.000 0.984 241 D CA 1.329 55.345 54.000 0.027 0.000 0.826 241 D CB -0.439 40.390 40.800 0.048 0.000 0.973 241 D HN 0.179 nan 8.370 nan 0.000 0.460 242 Y N 0.425 120.624 120.300 -0.169 0.000 2.200 242 Y HA -0.108 4.444 4.550 0.003 0.000 0.290 242 Y C 2.181 177.950 175.900 -0.218 0.000 1.137 242 Y CA 1.146 59.143 58.100 -0.171 0.000 1.163 242 Y CB -0.400 37.944 38.460 -0.193 0.000 0.988 242 Y HN -0.134 nan 8.280 nan 0.000 0.518 243 V N 0.290 120.082 119.914 -0.203 0.000 2.282 243 V HA -0.370 3.751 4.120 0.002 0.000 0.249 243 V C 2.608 178.651 176.094 -0.084 0.000 1.057 243 V CA 2.425 64.610 62.300 -0.193 0.000 1.032 243 V CB -1.336 30.313 31.823 -0.290 0.000 0.645 243 V HN 0.660 nan 8.190 nan 0.000 0.447 244 S N -0.405 115.283 115.700 -0.019 0.000 2.442 244 S HA -0.051 4.420 4.470 0.002 0.000 0.236 244 S C 1.690 176.253 174.600 -0.061 0.000 1.007 244 S CA 1.311 59.513 58.200 0.003 0.000 0.965 244 S CB -0.453 62.768 63.200 0.036 0.000 0.773 244 S HN 0.554 nan 8.310 nan 0.000 0.504 245 L N 0.057 121.200 121.223 -0.133 0.000 2.607 245 L HA 0.310 4.651 4.340 0.002 0.000 0.228 245 L C 0.564 177.269 176.870 -0.274 0.000 1.123 245 L CA 0.169 54.905 54.840 -0.173 0.000 0.890 245 L CB 0.059 42.013 42.059 -0.175 0.000 1.103 245 L HN 0.263 nan 8.230 nan 0.000 0.468 246 Q N 0.422 120.029 119.800 -0.322 0.000 3.244 246 Q HA 0.220 4.561 4.340 0.002 0.000 0.249 246 Q C -1.869 173.927 176.000 -0.339 0.000 0.951 246 Q CA -1.394 54.176 55.803 -0.387 0.000 0.740 246 Q CB 1.494 29.901 28.738 -0.552 0.000 1.334 246 Q HN 0.019 nan 8.270 nan 0.000 0.448 247 P HA -0.234 nan 4.420 nan 0.000 0.222 247 P C 0.990 177.981 177.300 -0.515 0.000 1.142 247 P CA 1.196 64.052 63.100 -0.406 0.000 0.788 247 P CB 0.297 31.750 31.700 -0.410 0.000 0.767 248 E N 0.868 120.642 120.200 -0.709 0.000 2.204 248 E HA -0.149 4.202 4.350 0.002 0.000 0.194 248 E C 1.484 178.022 176.600 -0.103 0.000 0.989 248 E CA 1.851 58.063 56.400 -0.313 0.000 0.824 248 E CB -1.239 28.343 29.700 -0.196 0.000 0.756 248 E HN 0.280 nan 8.360 nan 0.000 0.477 249 T N -0.384 114.122 114.554 -0.079 0.000 3.007 249 T HA -0.017 4.334 4.350 0.002 0.000 0.270 249 T C 2.030 176.794 174.700 0.107 0.000 1.107 249 T CA 0.599 62.728 62.100 0.049 0.000 1.118 249 T CB -0.359 68.568 68.868 0.098 0.000 0.889 249 T HN 0.136 nan 8.240 nan 0.000 0.506 250 L N 0.016 121.295 121.223 0.093 0.000 2.083 250 L HA -0.061 4.280 4.340 0.002 0.000 0.209 250 L C 2.838 179.858 176.870 0.250 0.000 1.083 250 L CA 1.761 56.719 54.840 0.196 0.000 0.752 250 L CB -0.797 41.385 42.059 0.206 0.000 0.899 250 L HN 0.456 nan 8.230 nan 0.000 0.433 251 H N 0.074 119.188 119.070 0.074 0.000 2.290 251 H HA -0.218 4.339 4.556 0.002 0.000 0.298 251 H C 2.190 177.544 175.328 0.043 0.000 1.087 251 H CA 1.908 58.010 56.048 0.089 0.000 1.291 251 H CB 0.224 30.003 29.762 0.028 0.000 1.369 251 H HN 0.365 nan 8.280 nan 0.000 0.492 252 N N -0.281 118.286 118.700 -0.222 0.000 2.270 252 N HA -0.118 4.623 4.740 0.002 0.000 0.181 252 N C 1.949 177.279 175.510 -0.301 0.000 1.016 252 N CA 0.684 53.388 53.050 -0.577 0.000 0.870 252 N CB 0.306 38.009 38.487 -1.306 0.000 0.979 252 N HN 0.113 nan 8.380 nan 0.000 0.431 253 V N 1.762 121.697 119.914 0.034 0.000 2.332 253 V HA -0.270 3.851 4.120 0.002 0.000 0.248 253 V C 2.532 178.740 176.094 0.190 0.000 1.055 253 V CA 1.305 63.765 62.300 0.267 0.000 1.038 253 V CB -0.407 31.630 31.823 0.357 0.000 0.651 253 V HN 0.433 nan 8.190 nan 0.000 0.450 254 M N -1.683 118.068 119.600 0.252 0.000 2.106 254 M HA -0.239 4.242 4.480 0.002 0.000 0.259 254 M C 2.055 178.351 176.300 -0.007 0.000 1.068 254 M CA 2.000 57.451 55.300 0.252 0.000 1.100 254 M CB -1.077 31.711 32.600 0.314 0.000 1.351 254 M HN 0.491 nan 8.290 nan 0.000 0.404 255 W N 0.164 121.221 121.300 -0.404 0.000 2.381 255 W HA -0.074 4.587 4.660 0.002 0.000 0.301 255 W C 2.754 179.189 176.519 -0.140 0.000 1.205 255 W CA 1.719 58.797 57.345 -0.445 0.000 1.285 255 W CB -0.828 28.300 29.460 -0.553 0.000 1.133 255 W HN 0.266 nan 8.180 nan 0.000 0.521 256 A N -0.676 122.220 122.820 0.126 0.000 1.969 256 A HA -0.170 4.151 4.320 0.002 0.000 0.218 256 A C 1.917 179.535 177.584 0.057 0.000 1.169 256 A CA 1.522 53.625 52.037 0.110 0.000 0.635 256 A CB -0.576 18.507 19.000 0.138 0.000 0.810 256 A HN 0.092 nan 8.150 nan 0.000 0.445 257 M N 0.801 120.400 119.600 -0.000 0.000 2.394 257 M HA 0.002 4.483 4.480 0.002 0.000 0.264 257 M C 1.428 177.760 176.300 0.054 0.000 1.073 257 M CA 0.792 56.038 55.300 -0.091 0.000 1.111 257 M CB -1.414 30.940 32.600 -0.409 0.000 1.401 257 M HN 0.538 nan 8.290 nan 0.000 0.448 258 S N -0.017 115.772 115.700 0.150 0.000 2.624 258 S HA 0.072 4.543 4.470 0.002 0.000 0.263 258 S C 0.750 175.464 174.600 0.191 0.000 1.287 258 S CA -0.441 57.888 58.200 0.215 0.000 0.990 258 S CB 0.982 64.352 63.200 0.283 0.000 0.950 258 S HN 0.150 nan 8.310 nan 0.000 0.561 259 D N 0.239 120.774 120.400 0.226 0.000 2.315 259 D HA -0.083 4.558 4.640 0.002 0.000 0.211 259 D C 1.867 178.298 176.300 0.219 0.000 0.977 259 D CA 0.849 54.996 54.000 0.246 0.000 0.894 259 D CB -0.181 40.822 40.800 0.339 0.000 0.910 259 D HN 0.520 nan 8.370 nan 0.000 0.490 260 R N -0.472 120.150 120.500 0.203 0.000 2.193 260 R HA 0.002 4.342 4.340 0.002 0.000 0.229 260 R C 1.998 178.445 176.300 0.244 0.000 1.110 260 R CA 1.193 57.437 56.100 0.239 0.000 0.988 260 R CB -0.428 30.050 30.300 0.296 0.000 0.871 260 R HN 0.192 nan 8.270 nan 0.000 0.458 261 G N -0.330 108.596 108.800 0.210 0.000 2.880 261 G HA2 0.080 4.040 3.960 0.002 0.000 0.209 261 G HA3 0.080 4.040 3.960 0.002 0.000 0.209 261 G C 0.551 175.577 174.900 0.210 0.000 1.157 261 G CA 0.148 45.363 45.100 0.191 0.000 0.779 261 G HN 0.395 nan 8.290 nan 0.000 0.539 262 I N -1.336 119.372 120.570 0.229 0.000 2.925 262 I HA 0.369 4.540 4.170 0.002 0.000 0.296 262 I C -2.772 173.498 176.117 0.255 0.000 1.413 262 I CA -2.602 58.844 61.300 0.243 0.000 0.932 262 I CB 1.589 39.734 38.000 0.242 0.000 1.873 262 I HN -0.240 nan 8.210 nan 0.000 0.619 263 P HA 0.069 nan 4.420 nan 0.000 0.272 263 P C 0.393 177.867 177.300 0.290 0.000 1.230 263 P CA -0.188 63.055 63.100 0.238 0.000 0.788 263 P CB 1.435 33.237 31.700 0.169 0.000 0.949 264 R N 1.425 122.072 120.500 0.245 0.000 2.115 264 R HA 0.063 4.404 4.340 0.002 0.000 0.226 264 R C 0.524 177.000 176.300 0.294 0.000 1.100 264 R CA 1.253 57.541 56.100 0.313 0.000 0.980 264 R CB -0.419 30.039 30.300 0.262 0.000 0.875 264 R HN 0.566 nan 8.270 nan 0.000 0.445 265 S N -2.703 112.972 115.700 -0.042 0.000 2.567 265 S HA 0.217 4.688 4.470 0.002 0.000 0.270 265 S C -0.522 173.803 174.600 -0.458 0.000 1.152 265 S CA -0.857 57.131 58.200 -0.353 0.000 0.835 265 S CB 0.155 63.265 63.200 -0.150 0.000 1.115 265 S HN 0.093 nan 8.310 nan 0.000 0.459 266 Y N 1.931 121.866 120.300 -0.607 0.000 2.497 266 Y HA 0.123 4.674 4.550 0.002 0.000 0.292 266 Y C 2.188 177.776 175.900 -0.520 0.000 1.137 266 Y CA 0.788 58.411 58.100 -0.795 0.000 1.285 266 Y CB -0.315 37.281 38.460 -1.440 0.000 0.991 266 Y HN 0.547 nan 8.280 nan 0.000 0.556 267 R N -1.640 118.753 120.500 -0.178 0.000 2.299 267 R HA 0.061 4.402 4.340 0.002 0.000 0.197 267 R C 0.900 177.199 176.300 -0.002 0.000 0.971 267 R CA 0.901 56.952 56.100 -0.082 0.000 1.030 267 R CB 0.061 30.291 30.300 -0.117 0.000 0.932 267 R HN -0.037 nan 8.270 nan 0.000 0.477 268 T N 1.009 115.582 114.554 0.032 0.000 3.339 268 T HA 0.273 4.624 4.350 0.002 0.000 0.292 268 T C -0.522 174.254 174.700 0.127 0.000 1.012 268 T CA -0.291 61.849 62.100 0.067 0.000 0.937 268 T CB 0.257 69.143 68.868 0.029 0.000 1.164 268 T HN 0.155 nan 8.240 nan 0.000 0.509 269 M N -0.903 118.816 119.600 0.199 0.000 2.550 269 M HA 0.709 5.190 4.480 0.002 0.000 0.292 269 M C -1.163 175.346 176.300 0.349 0.000 1.221 269 M CA -0.923 54.530 55.300 0.256 0.000 0.873 269 M CB 2.185 34.928 32.600 0.237 0.000 1.727 269 M HN -0.248 nan 8.290 nan 0.000 0.459 270 E N 0.555 120.935 120.200 0.300 0.000 2.345 270 E HA 0.672 5.023 4.350 0.002 0.000 0.259 270 E C -0.281 176.358 176.600 0.065 0.000 1.117 270 E CA -0.537 55.954 56.400 0.152 0.000 0.913 270 E CB 1.700 31.393 29.700 -0.012 0.000 1.057 270 E HN 0.857 nan 8.360 nan 0.000 0.432 271 G N 0.720 109.364 108.800 -0.260 0.000 2.574 271 G HA2 0.655 4.615 3.960 0.002 0.000 0.299 271 G HA3 0.655 4.615 3.960 0.002 0.000 0.299 271 G C -1.511 173.030 174.900 -0.599 0.000 1.298 271 G CA -0.507 44.428 45.100 -0.275 0.000 0.952 271 G HN 0.305 nan 8.290 nan 0.000 0.477 272 F N -0.655 119.224 119.950 -0.119 0.000 2.628 272 F HA 0.478 5.005 4.527 0.001 0.000 0.309 272 F C 1.020 176.716 175.800 -0.173 0.000 1.108 272 F CA -0.504 57.369 58.000 -0.212 0.000 0.971 272 F CB 2.531 41.377 39.000 -0.257 0.000 1.279 272 F HN 0.633 nan 8.300 nan 0.000 0.441 273 G N 1.317 110.144 108.800 0.044 0.000 2.650 273 G HA2 0.069 4.030 3.960 0.002 0.000 0.214 273 G HA3 0.069 4.030 3.960 0.002 0.000 0.214 273 G C 1.332 176.227 174.900 -0.008 0.000 1.136 273 G CA 0.698 45.859 45.100 0.101 0.000 0.789 273 G HN 0.816 nan 8.290 nan 0.000 0.536 274 I N -0.678 119.821 120.570 -0.119 0.000 4.043 274 I HA -0.349 3.822 4.170 0.002 0.000 0.120 274 I C 0.681 176.570 176.117 -0.381 0.000 0.493 274 I CA 1.568 62.682 61.300 -0.310 0.000 1.177 274 I CB -1.257 36.499 38.000 -0.405 0.000 1.039 274 I HN 0.310 nan 8.210 nan 0.000 0.202 275 H N 1.510 120.598 119.070 0.029 0.000 2.547 275 H HA 0.315 4.872 4.556 0.001 0.000 0.362 275 H C 0.263 175.554 175.328 -0.062 0.000 1.181 275 H CA 0.034 56.017 56.048 -0.109 0.000 1.376 275 H CB 0.511 30.066 29.762 -0.347 0.000 1.488 275 H HN 0.031 nan 8.280 nan 0.000 0.583 276 T N 2.982 117.509 114.554 -0.046 0.000 2.794 276 T HA 0.254 4.605 4.350 0.002 0.000 0.296 276 T C 0.052 174.705 174.700 -0.078 0.000 0.949 276 T CA 0.055 62.126 62.100 -0.047 0.000 1.101 276 T CB -0.197 68.592 68.868 -0.132 0.000 0.905 276 T HN 0.216 nan 8.240 nan 0.000 0.516 277 F N 1.387 121.329 119.950 -0.013 0.000 2.671 277 F HA 0.647 5.175 4.527 0.000 0.000 0.373 277 F C 0.950 176.710 175.800 -0.067 0.000 1.122 277 F CA -1.220 56.781 58.000 0.003 0.000 1.082 277 F CB 1.422 40.412 39.000 -0.017 0.000 1.399 277 F HN 0.172 nan 8.300 nan 0.000 0.509 278 R N 0.742 121.292 120.500 0.084 0.000 2.750 278 R HA 0.643 4.984 4.340 0.002 0.000 0.281 278 R C -1.725 174.449 176.300 -0.210 0.000 0.972 278 R CA -0.924 55.076 56.100 -0.167 0.000 0.912 278 R CB 2.136 32.251 30.300 -0.309 0.000 1.187 278 R HN 0.468 nan 8.270 nan 0.000 0.464 279 L N 4.009 125.064 121.223 -0.280 0.000 2.296 279 L HA 0.515 4.856 4.340 0.002 0.000 0.286 279 L C -0.546 176.170 176.870 -0.256 0.000 1.023 279 L CA -0.787 53.903 54.840 -0.249 0.000 0.812 279 L CB 1.476 43.389 42.059 -0.244 0.000 1.223 279 L HN 0.366 nan 8.230 nan 0.000 0.421 280 I N 3.309 123.749 120.570 -0.217 0.000 2.389 280 I HA 0.283 4.454 4.170 0.002 0.000 0.288 280 I C -0.198 175.833 176.117 -0.143 0.000 0.999 280 I CA -0.651 60.522 61.300 -0.212 0.000 1.129 280 I CB 1.453 39.328 38.000 -0.208 0.000 1.288 280 I HN 0.615 nan 8.210 nan 0.000 0.444 281 N N 4.963 123.593 118.700 -0.117 0.000 2.476 281 N HA 0.339 5.080 4.740 0.002 0.000 0.287 281 N C 0.787 176.258 175.510 -0.065 0.000 1.262 281 N CA -0.506 52.495 53.050 -0.081 0.000 0.980 281 N CB 0.568 39.017 38.487 -0.064 0.000 1.163 281 N HN 0.526 nan 8.380 nan 0.000 0.592 282 A N -0.973 121.818 122.820 -0.048 0.000 2.172 282 A HA -0.092 4.229 4.320 0.002 0.000 0.216 282 A C 1.191 178.756 177.584 -0.032 0.000 1.154 282 A CA 0.951 52.965 52.037 -0.039 0.000 0.701 282 A CB -0.729 18.255 19.000 -0.028 0.000 0.789 282 A HN 0.795 nan 8.150 nan 0.000 0.465 283 E N -1.814 118.367 120.200 -0.030 0.000 2.474 283 E HA 0.317 4.668 4.350 0.002 0.000 0.195 283 E C 1.073 177.664 176.600 -0.016 0.000 1.039 283 E CA 0.276 56.663 56.400 -0.021 0.000 0.881 283 E CB 0.194 29.884 29.700 -0.018 0.000 0.970 283 E HN 0.651 nan 8.360 nan 0.000 0.486 284 G N 2.518 111.305 108.800 -0.021 0.000 2.179 284 G HA2 -0.261 3.700 3.960 0.002 0.000 0.220 284 G HA3 -0.261 3.700 3.960 0.002 0.000 0.220 284 G C 0.345 175.254 174.900 0.016 0.000 0.990 284 G CA -0.029 45.074 45.100 0.006 0.000 0.646 284 G HN 0.137 nan 8.290 nan 0.000 0.517 285 K N 1.285 121.666 120.400 -0.032 0.000 2.379 285 K HA 0.651 4.972 4.320 0.002 0.000 0.284 285 K C 0.183 176.678 176.600 -0.175 0.000 1.044 285 K CA 0.445 56.695 56.287 -0.063 0.000 0.974 285 K CB 0.906 33.373 32.500 -0.055 0.000 0.962 285 K HN 0.834 nan 8.250 nan 0.000 0.474 286 A N 4.044 126.681 122.820 -0.304 0.000 2.290 286 A HA 0.448 4.769 4.320 0.002 0.000 0.310 286 A C -0.597 176.708 177.584 -0.465 0.000 1.202 286 A CA -0.531 51.168 52.037 -0.562 0.000 0.837 286 A CB 0.645 18.934 19.000 -1.184 0.000 1.139 286 A HN 0.746 nan 8.150 nan 0.000 0.509 287 T N 2.866 117.173 114.554 -0.413 0.000 2.792 287 T HA 0.518 4.869 4.350 0.002 0.000 0.280 287 T C -0.417 174.079 174.700 -0.340 0.000 0.990 287 T CA -0.027 61.887 62.100 -0.310 0.000 0.960 287 T CB 0.248 69.014 68.868 -0.169 0.000 0.939 287 T HN 0.350 nan 8.240 nan 0.000 0.439 288 F N 2.094 121.955 119.950 -0.148 0.000 2.506 288 F HA 0.478 5.005 4.527 0.001 0.000 0.351 288 F C 0.673 176.350 175.800 -0.206 0.000 1.136 288 F CA -0.272 57.631 58.000 -0.161 0.000 1.298 288 F CB 0.494 39.420 39.000 -0.125 0.000 1.145 288 F HN 0.212 nan 8.300 nan 0.000 0.593 289 V N 3.857 123.726 119.914 -0.075 0.000 2.971 289 V HA 0.613 4.734 4.120 0.002 0.000 0.309 289 V C -1.062 174.798 176.094 -0.390 0.000 1.130 289 V CA -0.812 61.282 62.300 -0.344 0.000 0.964 289 V CB 2.203 33.566 31.823 -0.767 0.000 1.029 289 V HN 0.764 nan 8.190 nan 0.000 0.427 290 R N 4.358 124.664 120.500 -0.325 0.000 2.599 290 R HA 0.539 4.880 4.340 0.002 0.000 0.295 290 R C -1.670 174.474 176.300 -0.261 0.000 0.963 290 R CA -0.442 55.496 56.100 -0.270 0.000 0.883 290 R CB 2.073 32.336 30.300 -0.061 0.000 1.171 290 R HN 0.617 nan 8.270 nan 0.000 0.450 291 F N 2.341 122.264 119.950 -0.044 0.000 2.385 291 F HA 0.367 4.895 4.527 0.002 0.000 0.336 291 F C 1.087 176.722 175.800 -0.275 0.000 1.100 291 F CA -0.079 57.868 58.000 -0.089 0.000 1.116 291 F CB 0.808 39.682 39.000 -0.210 0.000 1.166 291 F HN 0.198 nan 8.300 nan 0.000 0.511 292 H N 0.732 119.774 119.070 -0.047 0.000 2.797 292 H HA 0.307 4.864 4.556 0.002 0.000 0.372 292 H C -1.583 173.491 175.328 -0.423 0.000 1.168 292 H CA -1.048 54.876 56.048 -0.208 0.000 1.163 292 H CB 2.136 31.856 29.762 -0.069 0.000 1.778 292 H HN 0.678 nan 8.280 nan 0.000 0.551 293 W N 1.850 123.027 121.300 -0.206 0.000 2.647 293 W HA 0.303 4.963 4.660 0.001 0.000 0.328 293 W C -0.523 176.006 176.519 0.017 0.000 1.018 293 W CA -0.787 56.469 57.345 -0.147 0.000 1.245 293 W CB 1.506 30.664 29.460 -0.503 0.000 1.356 293 W HN 0.099 nan 8.180 nan 0.000 0.443 294 K N 4.433 125.112 120.400 0.464 0.000 2.265 294 K HA 0.344 4.665 4.320 0.002 0.000 0.267 294 K C -2.481 174.382 176.600 0.440 0.000 0.994 294 K CA -2.113 54.388 56.287 0.356 0.000 0.860 294 K CB 1.554 34.201 32.500 0.245 0.000 1.099 294 K HN 0.126 nan 8.250 nan 0.000 0.448 295 P HA 0.089 nan 4.420 nan 0.000 0.279 295 P C 0.424 177.779 177.300 0.091 0.000 1.318 295 P CA -0.483 62.769 63.100 0.253 0.000 0.819 295 P CB 0.629 32.492 31.700 0.273 0.000 0.927 296 L N 3.310 124.532 121.223 -0.001 0.000 2.642 296 L HA -0.084 4.257 4.340 0.002 0.000 0.236 296 L C 2.070 178.936 176.870 -0.006 0.000 1.169 296 L CA 1.346 56.194 54.840 0.013 0.000 0.851 296 L CB -1.306 40.755 42.059 0.002 0.000 0.968 296 L HN 0.405 nan 8.230 nan 0.000 0.453 297 A N -1.845 120.962 122.820 -0.022 0.000 2.390 297 A HA 0.604 4.925 4.320 0.002 0.000 0.232 297 A C 1.114 178.718 177.584 0.034 0.000 1.233 297 A CA 0.410 52.443 52.037 -0.006 0.000 0.907 297 A CB -0.131 18.849 19.000 -0.035 0.000 0.967 297 A HN 0.416 nan 8.150 nan 0.000 0.512 298 G N -0.239 108.596 108.800 0.060 0.000 2.707 298 G HA2 -0.087 3.874 3.960 0.002 0.000 0.686 298 G HA3 -0.087 3.874 3.960 0.002 0.000 0.686 298 G C -0.772 174.183 174.900 0.092 0.000 1.315 298 G CA -0.638 44.513 45.100 0.085 0.000 0.832 298 G HN 0.395 nan 8.290 nan 0.000 0.573 299 K N 0.200 120.661 120.400 0.102 0.000 2.183 299 K HA 0.716 5.037 4.320 0.002 0.000 0.274 299 K C 0.201 176.837 176.600 0.060 0.000 1.009 299 K CA 0.189 56.531 56.287 0.091 0.000 0.888 299 K CB 1.753 34.299 32.500 0.076 0.000 1.078 299 K HN 1.387 nan 8.250 nan 0.000 0.459 300 A N 1.822 124.662 122.820 0.035 0.000 2.547 300 A HA 0.618 4.939 4.320 0.002 0.000 0.297 300 A C -1.120 176.527 177.584 0.106 0.000 1.056 300 A CA -0.695 51.305 52.037 -0.062 0.000 0.688 300 A CB 1.685 20.439 19.000 -0.409 0.000 1.282 300 A HN 0.532 nan 8.150 nan 0.000 0.400 301 S N 0.526 116.434 115.700 0.346 0.000 2.634 301 S HA 0.739 5.210 4.470 0.002 0.000 0.296 301 S C -0.567 174.337 174.600 0.507 0.000 1.104 301 S CA -0.604 57.831 58.200 0.391 0.000 0.920 301 S CB 1.116 64.530 63.200 0.356 0.000 1.111 301 S HN 0.599 nan 8.310 nan 0.000 0.493 302 L N 1.734 123.147 121.223 0.317 0.000 2.479 302 L HA 0.457 4.798 4.340 0.002 0.000 0.248 302 L C 0.142 177.114 176.870 0.170 0.000 1.205 302 L CA -0.113 54.832 54.840 0.175 0.000 0.817 302 L CB 0.260 42.343 42.059 0.039 0.000 1.162 302 L HN 0.579 nan 8.230 nan 0.000 0.486 303 V N -1.783 118.139 119.914 0.013 0.000 2.630 303 V HA 0.272 4.393 4.120 0.002 0.000 0.305 303 V C 0.912 176.961 176.094 -0.076 0.000 1.046 303 V CA -0.876 61.411 62.300 -0.022 0.000 0.934 303 V CB 1.356 33.144 31.823 -0.058 0.000 1.003 303 V HN 0.906 nan 8.190 nan 0.000 0.451 304 W N 2.370 123.557 121.300 -0.188 0.000 2.317 304 W HA -0.255 4.405 4.660 0.001 0.000 0.318 304 W C 1.800 178.183 176.519 -0.227 0.000 1.227 304 W CA 2.666 59.885 57.345 -0.210 0.000 1.269 304 W CB -0.110 29.206 29.460 -0.239 0.000 1.155 304 W HN 1.017 nan 8.180 nan 0.000 0.484 305 D N 0.115 120.245 120.400 -0.450 0.000 2.158 305 D HA -0.296 4.345 4.640 0.002 0.000 0.197 305 D C 2.128 178.125 176.300 -0.506 0.000 0.995 305 D CA 2.179 55.912 54.000 -0.444 0.000 0.846 305 D CB -0.444 40.333 40.800 -0.040 0.000 0.941 305 D HN 0.394 nan 8.370 nan 0.000 0.456 306 E N -0.480 119.295 120.200 -0.709 0.000 2.031 306 E HA -0.200 4.151 4.350 0.002 0.000 0.193 306 E C 2.032 178.299 176.600 -0.557 0.000 0.994 306 E CA 1.084 56.979 56.400 -0.842 0.000 0.800 306 E CB -0.237 28.830 29.700 -1.055 0.000 0.752 306 E HN 0.311 nan 8.360 nan 0.000 0.447 307 A N 1.016 123.532 122.820 -0.507 0.000 1.902 307 A HA -0.251 4.070 4.320 0.002 0.000 0.217 307 A C 2.165 179.425 177.584 -0.540 0.000 1.181 307 A CA 1.792 53.578 52.037 -0.418 0.000 0.623 307 A CB -0.643 18.230 19.000 -0.211 0.000 0.818 307 A HN 0.459 nan 8.150 nan 0.000 0.443 308 Q N -0.590 118.679 119.800 -0.884 0.000 2.083 308 Q HA -0.143 4.198 4.340 0.002 0.000 0.198 308 Q C 2.116 177.844 176.000 -0.454 0.000 0.969 308 Q CA 1.693 56.990 55.803 -0.843 0.000 0.838 308 Q CB -0.121 27.820 28.738 -1.329 0.000 0.900 308 Q HN 0.646 nan 8.270 nan 0.000 0.436 309 K N -0.050 120.111 120.400 -0.398 0.000 2.148 309 K HA -0.128 4.193 4.320 0.002 0.000 0.204 309 K C 2.021 178.492 176.600 -0.216 0.000 1.050 309 K CA 0.714 56.858 56.287 -0.237 0.000 0.942 309 K CB -0.034 32.364 32.500 -0.170 0.000 0.724 309 K HN 0.172 nan 8.250 nan 0.000 0.446 310 L N 1.215 122.267 121.223 -0.286 0.000 2.201 310 L HA -0.133 4.208 4.340 0.002 0.000 0.212 310 L C 2.104 178.841 176.870 -0.222 0.000 1.105 310 L CA 2.108 56.772 54.840 -0.293 0.000 0.775 310 L CB -0.846 40.940 42.059 -0.455 0.000 0.913 310 L HN 0.315 nan 8.230 nan 0.000 0.440 311 T N -4.253 110.180 114.554 -0.202 0.000 2.881 311 T HA -0.043 4.308 4.350 0.002 0.000 0.270 311 T C 1.856 176.500 174.700 -0.094 0.000 1.068 311 T CA 0.892 62.916 62.100 -0.127 0.000 1.131 311 T CB -0.995 67.809 68.868 -0.107 0.000 0.871 311 T HN 0.381 nan 8.240 nan 0.000 0.479 312 G N 1.117 109.855 108.800 -0.103 0.000 2.417 312 G HA2 -0.012 3.949 3.960 0.002 0.000 0.212 312 G HA3 -0.012 3.949 3.960 0.002 0.000 0.212 312 G C 1.804 176.664 174.900 -0.066 0.000 1.187 312 G CA 0.049 45.104 45.100 -0.075 0.000 0.804 312 G HN 0.378 nan 8.290 nan 0.000 0.534 313 R N -0.195 120.257 120.500 -0.081 0.000 2.096 313 R HA 0.035 4.376 4.340 0.002 0.000 0.235 313 R C -0.074 176.202 176.300 -0.041 0.000 1.127 313 R CA 1.334 57.397 56.100 -0.062 0.000 0.968 313 R CB 0.073 30.325 30.300 -0.081 0.000 0.861 313 R HN 0.317 nan 8.270 nan 0.000 0.440 314 D N -1.826 118.547 120.400 -0.046 0.000 2.337 314 D HA 0.132 4.773 4.640 0.002 0.000 0.238 314 D C -2.241 174.060 176.300 0.002 0.000 1.331 314 D CA -1.845 52.158 54.000 0.005 0.000 0.967 314 D CB 1.449 42.298 40.800 0.082 0.000 1.382 314 D HN -0.136 nan 8.370 nan 0.000 0.549 315 P HA -0.012 nan 4.420 nan 0.000 0.228 315 P C 0.017 177.328 177.300 0.019 0.000 1.151 315 P CA 0.732 63.828 63.100 -0.008 0.000 0.770 315 P CB 0.506 32.197 31.700 -0.014 0.000 0.786 316 D N -1.538 118.882 120.400 0.034 0.000 2.463 316 D HA 0.059 4.700 4.640 0.002 0.000 0.224 316 D C 1.178 177.515 176.300 0.062 0.000 1.174 316 D CA -0.447 53.575 54.000 0.037 0.000 0.829 316 D CB -0.351 40.446 40.800 -0.004 0.000 0.993 316 D HN 0.065 nan 8.370 nan 0.000 0.497 317 F N 1.654 121.549 119.950 -0.092 0.000 2.120 317 F HA -0.239 4.289 4.527 0.001 0.000 0.300 317 F C 1.994 177.756 175.800 -0.065 0.000 1.095 317 F CA 1.891 59.829 58.000 -0.104 0.000 1.249 317 F CB -0.114 38.777 39.000 -0.182 0.000 0.995 317 F HN 0.107 nan 8.300 nan 0.000 0.480 318 H N -1.365 117.631 119.070 -0.124 0.000 2.428 318 H HA -0.053 4.504 4.556 0.001 0.000 0.296 318 H C 2.376 177.571 175.328 -0.222 0.000 1.062 318 H CA 0.781 56.599 56.048 -0.384 0.000 1.350 318 H CB -0.028 29.368 29.762 -0.610 0.000 1.403 318 H HN 0.187 nan 8.280 nan 0.000 0.533 319 R N 1.199 121.756 120.500 0.094 0.000 2.075 319 R HA -0.101 4.239 4.340 0.002 0.000 0.232 319 R C 2.399 178.766 176.300 0.112 0.000 1.126 319 R CA 1.132 57.331 56.100 0.164 0.000 0.963 319 R CB 0.016 30.404 30.300 0.148 0.000 0.858 319 R HN 0.166 nan 8.270 nan 0.000 0.435 320 R N 0.402 120.903 120.500 0.001 0.000 2.070 320 R HA -0.182 4.159 4.340 0.002 0.000 0.233 320 R C 2.142 178.429 176.300 -0.022 0.000 1.137 320 R CA 2.059 58.148 56.100 -0.020 0.000 0.945 320 R CB -0.180 30.075 30.300 -0.075 0.000 0.845 320 R HN 0.303 nan 8.270 nan 0.000 0.430 321 E N 0.521 120.603 120.200 -0.197 0.000 2.208 321 E HA -0.171 4.180 4.350 0.002 0.000 0.193 321 E C 1.792 178.336 176.600 -0.093 0.000 0.988 321 E CA 0.918 57.188 56.400 -0.217 0.000 0.828 321 E CB -0.470 28.921 29.700 -0.516 0.000 0.763 321 E HN 0.341 nan 8.360 nan 0.000 0.478 322 L N -0.058 121.141 121.223 -0.040 0.000 2.056 322 L HA -0.003 4.338 4.340 0.002 0.000 0.207 322 L C 2.177 179.116 176.870 0.115 0.000 1.078 322 L CA 1.761 56.617 54.840 0.026 0.000 0.749 322 L CB -0.760 41.350 42.059 0.085 0.000 0.901 322 L HN 0.402 nan 8.230 nan 0.000 0.433 323 W N 0.847 122.158 121.300 0.018 0.000 2.363 323 W HA -0.184 4.476 4.660 0.000 0.000 0.296 323 W C 1.992 178.531 176.519 0.032 0.000 1.212 323 W CA 1.947 59.323 57.345 0.051 0.000 1.260 323 W CB -0.010 29.483 29.460 0.055 0.000 1.131 323 W HN 0.348 nan 8.180 nan 0.000 0.530 324 E N -0.193 120.160 120.200 0.256 0.000 2.230 324 E HA -0.047 4.304 4.350 0.002 0.000 0.192 324 E C 2.352 178.968 176.600 0.027 0.000 0.987 324 E CA 0.739 57.224 56.400 0.142 0.000 0.841 324 E CB -0.234 29.511 29.700 0.075 0.000 0.783 324 E HN 0.148 nan 8.360 nan 0.000 0.481 325 A N 1.447 124.274 122.820 0.011 0.000 1.898 325 A HA -0.149 4.172 4.320 0.002 0.000 0.216 325 A C 2.150 179.737 177.584 0.005 0.000 1.181 325 A CA 0.966 52.999 52.037 -0.007 0.000 0.620 325 A CB -0.510 18.487 19.000 -0.004 0.000 0.819 325 A HN 0.125 nan 8.150 nan 0.000 0.442 326 I N -0.520 120.084 120.570 0.056 0.000 2.394 326 I HA -0.213 3.958 4.170 0.002 0.000 0.251 326 I C 2.313 178.497 176.117 0.110 0.000 1.136 326 I CA 1.297 62.697 61.300 0.167 0.000 1.425 326 I CB -0.324 37.713 38.000 0.061 0.000 1.079 326 I HN 0.422 nan 8.210 nan 0.000 0.425 327 E N 0.782 120.992 120.200 0.018 0.000 2.285 327 E HA -0.053 4.298 4.350 0.002 0.000 0.194 327 E C 2.129 178.734 176.600 0.008 0.000 0.997 327 E CA 0.829 57.250 56.400 0.035 0.000 0.845 327 E CB 0.025 29.770 29.700 0.076 0.000 0.782 327 E HN 0.461 nan 8.360 nan 0.000 0.491 328 A N 0.259 123.054 122.820 -0.042 0.000 2.208 328 A HA 0.210 4.531 4.320 0.002 0.000 0.209 328 A C 1.747 179.240 177.584 -0.152 0.000 1.161 328 A CA 0.886 52.877 52.037 -0.077 0.000 0.782 328 A CB -0.203 18.729 19.000 -0.113 0.000 0.816 328 A HN 0.322 nan 8.150 nan 0.000 0.477 329 G N -0.385 108.232 108.800 -0.305 0.000 2.157 329 G HA2 -0.200 3.761 3.960 0.002 0.000 0.248 329 G HA3 -0.200 3.761 3.960 0.002 0.000 0.248 329 G C -0.270 174.036 174.900 -0.990 0.000 0.979 329 G CA 0.211 44.796 45.100 -0.859 0.000 0.650 329 G HN 0.478 nan 8.290 nan 0.000 0.529 330 D N 1.363 121.488 120.400 -0.458 0.000 2.713 330 D HA 0.322 4.963 4.640 0.002 0.000 0.229 330 D C 0.628 176.824 176.300 -0.173 0.000 1.136 330 D CA -0.233 53.610 54.000 -0.262 0.000 1.010 330 D CB -0.374 40.388 40.800 -0.064 0.000 1.084 330 D HN 0.152 nan 8.370 nan 0.000 0.495 331 F N 1.490 121.434 119.950 -0.010 0.000 2.629 331 F HA 0.095 4.623 4.527 0.002 0.000 0.377 331 F C -1.451 174.310 175.800 -0.064 0.000 1.101 331 F CA -2.086 55.897 58.000 -0.027 0.000 1.301 331 F CB -0.591 38.404 39.000 -0.009 0.000 1.062 331 F HN 0.022 nan 8.300 nan 0.000 0.583 332 P HA 0.144 nan 4.420 nan 0.000 0.271 332 P C -1.031 176.178 177.300 -0.152 0.000 1.220 332 P CA 0.009 63.065 63.100 -0.074 0.000 0.768 332 P CB 0.532 32.220 31.700 -0.020 0.000 0.848 333 E N 2.095 122.084 120.200 -0.352 0.000 2.293 333 E HA 0.517 4.867 4.350 0.002 0.000 0.270 333 E C -1.160 175.155 176.600 -0.476 0.000 0.879 333 E CA -0.562 55.682 56.400 -0.260 0.000 0.756 333 E CB 1.625 31.284 29.700 -0.068 0.000 1.208 333 E HN 0.364 nan 8.360 nan 0.000 0.428 334 Y N 0.126 120.513 120.300 0.145 0.000 2.524 334 Y HA 0.281 4.833 4.550 0.002 0.000 0.347 334 Y C -0.227 175.917 175.900 0.407 0.000 1.005 334 Y CA -0.989 57.276 58.100 0.275 0.000 1.025 334 Y CB 1.970 40.580 38.460 0.251 0.000 1.275 334 Y HN 0.369 nan 8.280 nan 0.000 0.460 335 E N 2.127 122.677 120.200 0.583 0.000 2.174 335 E HA 0.309 4.660 4.350 0.002 0.000 0.282 335 E C -1.305 175.526 176.600 0.385 0.000 0.992 335 E CA -1.003 55.658 56.400 0.434 0.000 0.803 335 E CB 1.799 31.681 29.700 0.303 0.000 1.090 335 E HN 0.364 nan 8.360 nan 0.000 0.396 336 L N 2.912 124.235 121.223 0.167 0.000 2.367 336 L HA 0.398 4.739 4.340 0.002 0.000 0.275 336 L C -0.030 176.734 176.870 -0.178 0.000 1.129 336 L CA 0.453 55.086 54.840 -0.346 0.000 0.839 336 L CB 0.808 42.670 42.059 -0.328 0.000 1.133 336 L HN 0.542 nan 8.230 nan 0.000 0.453 337 G N 4.397 113.128 108.800 -0.115 0.000 2.643 337 G HA2 0.534 4.495 3.960 0.002 0.000 0.305 337 G HA3 0.534 4.495 3.960 0.002 0.000 0.305 337 G C -1.466 173.577 174.900 0.238 0.000 1.387 337 G CA -0.406 44.691 45.100 -0.004 0.000 0.982 337 G HN 0.285 nan 8.290 nan 0.000 0.501 338 F N 0.397 120.363 119.950 0.027 0.000 2.421 338 F HA 0.464 4.992 4.527 0.001 0.000 0.337 338 F C 0.695 176.499 175.800 0.005 0.000 1.105 338 F CA -1.356 56.653 58.000 0.014 0.000 1.049 338 F CB 2.139 41.125 39.000 -0.023 0.000 1.139 338 F HN 0.284 nan 8.300 nan 0.000 0.479 339 Q N 3.175 123.095 119.800 0.201 0.000 2.430 339 Q HA 0.348 4.688 4.340 0.002 0.000 0.245 339 Q C -1.143 174.896 176.000 0.065 0.000 1.021 339 Q CA -0.729 55.142 55.803 0.113 0.000 0.867 339 Q CB 1.151 29.965 28.738 0.127 0.000 1.210 339 Q HN 0.292 nan 8.270 nan 0.000 0.487 340 L N 3.935 125.208 121.223 0.083 0.000 2.312 340 L HA 0.493 4.834 4.340 0.002 0.000 0.281 340 L C -0.327 176.593 176.870 0.084 0.000 1.070 340 L CA -0.240 54.632 54.840 0.053 0.000 0.805 340 L CB 1.085 43.187 42.059 0.073 0.000 1.174 340 L HN 0.530 nan 8.230 nan 0.000 0.434 341 I N 4.684 125.322 120.570 0.112 0.000 2.499 341 I HA 0.404 4.575 4.170 0.002 0.000 0.288 341 I C -2.247 173.991 176.117 0.203 0.000 1.048 341 I CA -1.598 59.804 61.300 0.170 0.000 1.062 341 I CB 2.106 40.211 38.000 0.174 0.000 1.238 341 I HN 0.435 nan 8.210 nan 0.000 0.426 342 P HA 0.091 nan 4.420 nan 0.000 0.272 342 P C 0.536 177.938 177.300 0.170 0.000 1.223 342 P CA -0.218 62.941 63.100 0.098 0.000 0.784 342 P CB 0.751 32.492 31.700 0.068 0.000 0.923 343 E N 0.989 121.228 120.200 0.066 0.000 2.209 343 E HA -0.262 4.089 4.350 0.002 0.000 0.196 343 E C 0.960 177.681 176.600 0.201 0.000 0.993 343 E CA 1.397 57.869 56.400 0.121 0.000 0.819 343 E CB 0.047 29.705 29.700 -0.069 0.000 0.745 343 E HN 0.429 nan 8.360 nan 0.000 0.477 344 E N 0.475 120.753 120.200 0.129 0.000 2.152 344 E HA -0.131 4.220 4.350 0.002 0.000 0.192 344 E C 0.968 177.636 176.600 0.113 0.000 0.983 344 E CA 1.149 57.620 56.400 0.117 0.000 0.818 344 E CB 0.077 29.822 29.700 0.075 0.000 0.758 344 E HN 0.236 nan 8.360 nan 0.000 0.467 345 D N 0.443 120.904 120.400 0.101 0.000 2.319 345 D HA -0.048 4.593 4.640 0.002 0.000 0.230 345 D C 1.147 177.460 176.300 0.022 0.000 1.094 345 D CA 0.138 54.167 54.000 0.048 0.000 0.856 345 D CB -0.068 40.759 40.800 0.045 0.000 0.915 345 D HN 0.267 nan 8.370 nan 0.000 0.517 346 E N -0.261 119.932 120.200 -0.011 0.000 2.169 346 E HA -0.216 4.135 4.350 0.002 0.000 0.202 346 E C 0.168 176.402 176.600 -0.610 0.000 1.016 346 E CA 1.041 57.227 56.400 -0.357 0.000 0.817 346 E CB 0.036 29.472 29.700 -0.439 0.000 0.736 346 E HN 0.279 nan 8.360 nan 0.000 0.462 347 F N -0.912 119.035 119.950 -0.005 0.000 2.855 347 F HA 0.275 4.803 4.527 0.002 0.000 0.317 347 F C 0.958 176.692 175.800 -0.110 0.000 1.169 347 F CA -0.495 57.482 58.000 -0.038 0.000 1.299 347 F CB 0.741 39.728 39.000 -0.023 0.000 0.962 347 F HN -0.232 nan 8.300 nan 0.000 0.506 348 K N 0.179 120.500 120.400 -0.132 0.000 2.365 348 K HA 0.156 4.477 4.320 0.002 0.000 0.197 348 K C -0.119 176.110 176.600 -0.617 0.000 1.042 348 K CA 0.512 56.566 56.287 -0.390 0.000 0.987 348 K CB -0.128 32.027 32.500 -0.576 0.000 0.779 348 K HN 0.092 nan 8.250 nan 0.000 0.484 349 F N 0.297 120.087 119.950 -0.266 0.000 2.509 349 F HA 0.171 4.699 4.527 0.002 0.000 0.334 349 F C 0.727 176.361 175.800 -0.276 0.000 1.060 349 F CA -1.479 56.294 58.000 -0.378 0.000 0.997 349 F CB 0.782 39.162 39.000 -1.034 0.000 1.271 349 F HN -0.038 nan 8.300 nan 0.000 0.488 350 D N -0.158 120.303 120.400 0.101 0.000 2.538 350 D HA 0.157 4.798 4.640 0.002 0.000 0.234 350 D C -0.807 175.622 176.300 0.215 0.000 1.191 350 D CA 0.005 54.084 54.000 0.132 0.000 0.828 350 D CB -0.962 39.931 40.800 0.155 0.000 0.981 350 D HN 0.225 nan 8.370 nan 0.000 0.490 351 F N -2.326 117.709 119.950 0.143 0.000 2.599 351 F HA 0.485 5.013 4.527 0.001 0.000 0.311 351 F C -0.567 175.217 175.800 -0.027 0.000 1.076 351 F CA -1.724 56.285 58.000 0.015 0.000 0.937 351 F CB 1.139 40.127 39.000 -0.020 0.000 1.282 351 F HN -0.305 nan 8.300 nan 0.000 0.460 352 D N 2.500 122.895 120.400 -0.008 0.000 2.312 352 D HA 0.194 4.835 4.640 0.002 0.000 0.252 352 D C 1.083 177.290 176.300 -0.154 0.000 1.150 352 D CA 0.014 53.954 54.000 -0.100 0.000 0.870 352 D CB 1.430 42.216 40.800 -0.023 0.000 1.153 352 D HN 0.783 nan 8.370 nan 0.000 0.457 353 L N 3.561 124.626 121.223 -0.263 0.000 2.127 353 L HA -0.185 4.156 4.340 0.002 0.000 0.211 353 L C 2.040 178.776 176.870 -0.223 0.000 1.089 353 L CA 0.866 55.539 54.840 -0.278 0.000 0.757 353 L CB -0.131 41.630 42.059 -0.497 0.000 0.899 353 L HN 0.500 nan 8.230 nan 0.000 0.434 354 L N -1.074 120.047 121.223 -0.169 0.000 2.599 354 L HA 0.015 4.355 4.340 0.002 0.000 0.230 354 L C 0.451 177.257 176.870 -0.108 0.000 1.141 354 L CA -0.117 54.699 54.840 -0.040 0.000 0.877 354 L CB -0.498 41.641 42.059 0.133 0.000 1.009 354 L HN 0.099 nan 8.230 nan 0.000 0.447 355 D N 2.296 122.397 120.400 -0.498 0.000 2.344 355 D HA 0.077 4.717 4.640 0.002 0.000 0.253 355 D C -1.288 174.809 176.300 -0.340 0.000 1.255 355 D CA -2.076 51.427 54.000 -0.829 0.000 0.894 355 D CB 1.374 41.548 40.800 -1.044 0.000 1.067 355 D HN -0.003 nan 8.370 nan 0.000 0.492 356 P HA -0.085 nan 4.420 nan 0.000 0.234 356 P C 0.749 177.966 177.300 -0.139 0.000 1.167 356 P CA 0.757 63.807 63.100 -0.083 0.000 0.763 356 P CB 0.041 31.790 31.700 0.081 0.000 0.835 357 T N -4.646 109.809 114.554 -0.164 0.000 3.086 357 T HA 0.177 4.528 4.350 0.002 0.000 0.250 357 T C 0.709 175.308 174.700 -0.169 0.000 1.074 357 T CA -0.180 61.826 62.100 -0.157 0.000 0.988 357 T CB -0.073 68.747 68.868 -0.080 0.000 0.988 357 T HN -0.124 nan 8.240 nan 0.000 0.530 358 K N 2.210 122.433 120.400 -0.296 0.000 2.244 358 K HA 0.575 4.896 4.320 0.002 0.000 0.260 358 K C -0.424 175.994 176.600 -0.303 0.000 0.951 358 K CA -0.880 55.097 56.287 -0.516 0.000 0.826 358 K CB 2.236 34.395 32.500 -0.567 0.000 1.108 358 K HN 0.303 nan 8.250 nan 0.000 0.433 359 L N -0.154 121.012 121.223 -0.095 0.000 2.360 359 L HA 0.639 4.980 4.340 0.002 0.000 0.271 359 L C -0.025 176.675 176.870 -0.284 0.000 1.057 359 L CA -0.445 54.325 54.840 -0.117 0.000 0.803 359 L CB 0.430 42.510 42.059 0.035 0.000 1.207 359 L HN 0.439 nan 8.230 nan 0.000 0.445 360 I N 2.240 122.709 120.570 -0.169 0.000 2.291 360 I HA 0.335 4.506 4.170 0.002 0.000 0.290 360 I C -2.027 174.083 176.117 -0.011 0.000 1.050 360 I CA -1.686 59.545 61.300 -0.114 0.000 1.245 360 I CB 0.869 38.851 38.000 -0.030 0.000 1.405 360 I HN 0.463 nan 8.210 nan 0.000 0.478 361 P HA -0.031 nan 4.420 nan 0.000 0.262 361 P C 0.396 177.749 177.300 0.089 0.000 1.182 361 P CA 0.248 63.375 63.100 0.045 0.000 0.761 361 P CB 0.545 32.264 31.700 0.030 0.000 0.795 362 E N 1.948 122.204 120.200 0.092 0.000 2.265 362 E HA -0.196 4.155 4.350 0.002 0.000 0.196 362 E C 1.410 178.055 176.600 0.075 0.000 0.996 362 E CA 0.778 57.223 56.400 0.075 0.000 0.832 362 E CB 0.018 29.758 29.700 0.066 0.000 0.756 362 E HN 0.528 nan 8.360 nan 0.000 0.491 363 E N 0.420 120.666 120.200 0.077 0.000 2.153 363 E HA -0.148 4.203 4.350 0.002 0.000 0.194 363 E C 2.133 178.792 176.600 0.099 0.000 0.988 363 E CA 0.741 57.185 56.400 0.074 0.000 0.811 363 E CB 0.049 29.786 29.700 0.061 0.000 0.746 363 E HN 0.359 nan 8.360 nan 0.000 0.466 364 L N -0.042 121.265 121.223 0.140 0.000 2.071 364 L HA 0.016 4.357 4.340 0.002 0.000 0.201 364 L C 0.893 177.879 176.870 0.193 0.000 1.076 364 L CA 0.589 55.551 54.840 0.203 0.000 0.755 364 L CB 0.008 42.279 42.059 0.354 0.000 0.915 364 L HN -0.177 nan 8.230 nan 0.000 0.445 365 V N 0.539 120.557 119.914 0.173 0.000 2.378 365 V HA 0.335 4.456 4.120 0.002 0.000 0.288 365 V C -2.412 173.732 176.094 0.083 0.000 1.016 365 V CA -1.616 60.768 62.300 0.140 0.000 0.840 365 V CB 1.147 33.059 31.823 0.148 0.000 0.994 365 V HN -0.010 nan 8.190 nan 0.000 0.431 366 P HA 0.160 nan 4.420 nan 0.000 0.271 366 P C -0.413 176.892 177.300 0.008 0.000 1.218 366 P CA -0.142 62.979 63.100 0.034 0.000 0.780 366 P CB 0.735 32.459 31.700 0.040 0.000 0.901 367 V N 3.965 123.849 119.914 -0.049 0.000 2.405 367 V HA 0.078 4.199 4.120 0.002 0.000 0.264 367 V C 0.637 176.724 176.094 -0.012 0.000 1.048 367 V CA 0.058 62.304 62.300 -0.090 0.000 0.966 367 V CB 0.134 31.812 31.823 -0.242 0.000 1.015 367 V HN 0.522 nan 8.190 nan 0.000 0.477 368 Q N 6.351 126.164 119.800 0.022 0.000 2.307 368 Q HA 0.246 4.587 4.340 0.002 0.000 0.259 368 Q C -0.224 175.770 176.000 -0.011 0.000 0.998 368 Q CA -0.721 55.095 55.803 0.021 0.000 0.923 368 Q CB 0.561 29.324 28.738 0.042 0.000 1.196 368 Q HN 0.550 nan 8.270 nan 0.000 0.416 369 R N 3.658 124.178 120.500 0.033 0.000 2.370 369 R HA 0.081 4.422 4.340 0.002 0.000 0.309 369 R C 0.131 176.486 176.300 0.093 0.000 1.059 369 R CA -0.051 56.101 56.100 0.086 0.000 0.981 369 R CB 0.856 31.289 30.300 0.221 0.000 0.972 369 R HN 0.620 nan 8.270 nan 0.000 0.437 370 V N 1.284 121.137 119.914 -0.101 0.000 3.523 370 V HA 0.258 4.379 4.120 0.002 0.000 0.255 370 V C 1.023 176.905 176.094 -0.353 0.000 1.226 370 V CA 1.333 63.488 62.300 -0.242 0.000 1.092 370 V CB 0.588 32.000 31.823 -0.685 0.000 0.817 370 V HN 0.965 nan 8.190 nan 0.000 0.458 371 G N -0.600 107.788 108.800 -0.687 0.000 2.342 371 G HA2 0.435 4.396 3.960 0.002 0.000 0.297 371 G HA3 0.435 4.396 3.960 0.002 0.000 0.297 371 G C -1.841 172.632 174.900 -0.712 0.000 1.313 371 G CA -0.508 43.928 45.100 -1.108 0.000 0.830 371 G HN -0.065 nan 8.290 nan 0.000 0.506 372 K N -0.232 119.866 120.400 -0.503 0.000 2.464 372 K HA 0.664 4.985 4.320 0.002 0.000 0.253 372 K C -1.324 175.351 176.600 0.125 0.000 0.933 372 K CA -0.799 55.478 56.287 -0.015 0.000 0.801 372 K CB 2.239 34.746 32.500 0.011 0.000 1.271 372 K HN 0.622 nan 8.250 nan 0.000 0.430 373 M N 4.230 124.013 119.600 0.305 0.000 2.311 373 M HA 0.378 4.859 4.480 0.002 0.000 0.325 373 M C -1.687 174.585 176.300 -0.046 0.000 1.061 373 M CA -0.793 54.606 55.300 0.166 0.000 0.957 373 M CB 1.699 34.436 32.600 0.229 0.000 1.646 373 M HN 0.286 nan 8.290 nan 0.000 0.434 374 V N 5.552 125.272 119.914 -0.323 0.000 2.531 374 V HA 0.461 4.582 4.120 0.002 0.000 0.301 374 V C -1.025 174.919 176.094 -0.250 0.000 1.034 374 V CA -0.834 61.296 62.300 -0.284 0.000 0.865 374 V CB 1.863 33.456 31.823 -0.384 0.000 0.995 374 V HN 0.657 nan 8.190 nan 0.000 0.424 375 L N 5.840 126.998 121.223 -0.108 0.000 2.262 375 L HA 0.520 4.861 4.340 0.002 0.000 0.288 375 L C 0.589 177.348 176.870 -0.184 0.000 1.035 375 L CA 0.124 54.911 54.840 -0.088 0.000 0.820 375 L CB 1.058 43.125 42.059 0.014 0.000 1.204 375 L HN 0.871 nan 8.230 nan 0.000 0.424 376 N N 2.466 120.974 118.700 -0.321 0.000 2.240 376 N HA 0.164 4.905 4.740 0.002 0.000 0.240 376 N C -0.046 175.257 175.510 -0.345 0.000 1.277 376 N CA -0.294 52.316 53.050 -0.734 0.000 0.873 376 N CB 0.723 38.461 38.487 -1.249 0.000 1.222 376 N HN 0.398 nan 8.380 nan 0.000 0.507 377 R N 0.270 120.697 120.500 -0.122 0.000 2.515 377 R HA 0.307 4.648 4.340 0.002 0.000 0.278 377 R C -1.272 175.024 176.300 -0.007 0.000 1.107 377 R CA -0.546 55.517 56.100 -0.061 0.000 0.945 377 R CB 1.260 31.538 30.300 -0.038 0.000 1.219 377 R HN 0.067 nan 8.270 nan 0.000 0.434 378 N N 3.308 121.899 118.700 -0.182 0.000 2.445 378 N HA 0.312 5.053 4.740 0.002 0.000 0.264 378 N C -2.281 173.235 175.510 0.011 0.000 1.227 378 N CA -1.250 51.604 53.050 -0.327 0.000 0.963 378 N CB 0.559 38.339 38.487 -1.179 0.000 1.188 378 N HN 0.326 nan 8.380 nan 0.000 0.491 379 P HA 0.112 nan 4.420 nan 0.000 0.273 379 P C -0.061 177.434 177.300 0.325 0.000 1.250 379 P CA -0.079 63.227 63.100 0.343 0.000 0.793 379 P CB 1.058 32.995 31.700 0.394 0.000 1.011 380 D N -0.979 119.580 120.400 0.266 0.000 2.240 380 D HA -0.007 4.634 4.640 0.002 0.000 0.206 380 D C 0.441 176.909 176.300 0.280 0.000 0.963 380 D CA 1.329 55.480 54.000 0.250 0.000 0.863 380 D CB 0.229 41.120 40.800 0.153 0.000 0.973 380 D HN 0.369 nan 8.370 nan 0.000 0.501 381 N N -0.192 118.672 118.700 0.273 0.000 2.480 381 N HA 0.004 4.745 4.740 0.002 0.000 0.289 381 N C -0.072 175.636 175.510 0.330 0.000 1.073 381 N CA -0.353 52.866 53.050 0.282 0.000 0.885 381 N CB 1.395 40.012 38.487 0.217 0.000 1.421 381 N HN -0.190 nan 8.380 nan 0.000 0.503 382 F N 4.366 124.459 119.950 0.238 0.000 2.069 382 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 382 F C 1.698 177.628 175.800 0.217 0.000 1.113 382 F CA 1.509 59.651 58.000 0.237 0.000 1.214 382 F CB -0.169 38.952 39.000 0.202 0.000 0.978 382 F HN 0.596 nan 8.300 nan 0.000 0.474 383 F N 0.841 120.959 119.950 0.280 0.000 2.075 383 F HA -0.135 4.385 4.527 -0.011 0.000 0.297 383 F C 2.347 178.165 175.800 0.029 0.000 1.113 383 F CA 1.864 59.953 58.000 0.148 0.000 1.218 383 F CB -1.052 38.045 39.000 0.161 0.000 0.984 383 F HN 0.012 nan 8.300 nan 0.000 0.472 384 A N -0.192 122.752 122.820 0.205 0.000 1.883 384 A HA -0.210 4.111 4.320 0.002 0.000 0.217 384 A C 2.113 179.637 177.584 -0.101 0.000 1.186 384 A CA 2.172 54.246 52.037 0.062 0.000 0.624 384 A CB -0.831 18.257 19.000 0.146 0.000 0.822 384 A HN 0.600 nan 8.150 nan 0.000 0.444 385 E N -1.363 118.798 120.200 -0.065 0.000 2.079 385 E HA -0.047 4.304 4.350 0.002 0.000 0.191 385 E C 2.038 178.568 176.600 -0.117 0.000 0.961 385 E CA 0.816 57.136 56.400 -0.135 0.000 0.823 385 E CB -0.128 29.556 29.700 -0.027 0.000 0.789 385 E HN 0.769 nan 8.360 nan 0.000 0.459 386 N N 0.460 119.082 118.700 -0.129 0.000 2.176 386 N HA -0.169 4.572 4.740 0.002 0.000 0.187 386 N C 1.934 177.254 175.510 -0.316 0.000 1.043 386 N CA 0.770 53.694 53.050 -0.210 0.000 0.851 386 N CB 0.176 38.234 38.487 -0.714 0.000 1.018 386 N HN -0.133 nan 8.380 nan 0.000 0.436 387 E N 0.733 120.655 120.200 -0.463 0.000 2.153 387 E HA -0.136 4.215 4.350 0.002 0.000 0.194 387 E C 1.267 177.626 176.600 -0.402 0.000 0.988 387 E CA 1.321 57.495 56.400 -0.377 0.000 0.811 387 E CB 0.013 29.489 29.700 -0.374 0.000 0.746 387 E HN 0.482 nan 8.360 nan 0.000 0.466 388 Q N -0.499 119.021 119.800 -0.468 0.000 2.365 388 Q HA 0.250 4.591 4.340 0.002 0.000 0.203 388 Q C -0.255 175.595 176.000 -0.249 0.000 0.929 388 Q CA 0.156 55.737 55.803 -0.371 0.000 0.948 388 Q CB 0.626 29.131 28.738 -0.388 0.000 1.043 388 Q HN 0.142 nan 8.270 nan 0.000 0.505 389 A N 1.124 123.816 122.820 -0.214 0.000 2.409 389 A HA 0.539 4.860 4.320 0.002 0.000 0.267 389 A C -0.190 177.213 177.584 -0.302 0.000 1.127 389 A CA -0.170 51.701 52.037 -0.276 0.000 0.795 389 A CB 0.370 19.246 19.000 -0.205 0.000 1.061 389 A HN 0.268 nan 8.150 nan 0.000 0.502 390 A N 2.826 125.432 122.820 -0.357 0.000 2.258 390 A HA 0.712 5.032 4.320 0.002 0.000 0.316 390 A C -0.824 176.593 177.584 -0.278 0.000 1.279 390 A CA -0.349 51.540 52.037 -0.248 0.000 0.876 390 A CB -0.024 18.844 19.000 -0.220 0.000 1.170 390 A HN 0.649 nan 8.150 nan 0.000 0.520 391 F N 1.901 121.853 119.950 0.003 0.000 2.469 391 F HA 0.501 5.030 4.527 0.002 0.000 0.332 391 F C 0.421 176.215 175.800 -0.009 0.000 1.103 391 F CA -0.162 57.828 58.000 -0.017 0.000 0.979 391 F CB 1.813 40.757 39.000 -0.093 0.000 1.137 391 F HN 0.693 nan 8.300 nan 0.000 0.463 392 H N 4.703 123.633 119.070 -0.232 0.000 2.877 392 H HA 0.224 4.784 4.556 0.006 0.000 0.347 392 H C -2.307 172.625 175.328 -0.660 0.000 1.042 392 H CA -2.165 53.505 56.048 -0.630 0.000 1.276 392 H CB 3.284 32.584 29.762 -0.770 0.000 1.681 392 H HN 0.324 nan 8.280 nan 0.000 0.521 393 P HA -0.080 nan 4.420 nan 0.000 0.223 393 P C 1.112 178.167 177.300 -0.409 0.000 1.144 393 P CA 1.263 64.008 63.100 -0.592 0.000 0.783 393 P CB -0.033 31.354 31.700 -0.521 0.000 0.771 394 G N -1.399 106.821 108.800 -0.967 0.000 2.848 394 G HA2 -0.108 3.853 3.960 0.002 0.000 0.208 394 G HA3 -0.108 3.853 3.960 0.002 0.000 0.208 394 G C 0.375 175.346 174.900 0.119 0.000 1.152 394 G CA -0.092 44.836 45.100 -0.287 0.000 0.789 394 G HN 0.442 nan 8.290 nan 0.000 0.531 395 H N 0.623 119.688 119.070 -0.008 0.000 2.923 395 H HA 0.345 4.900 4.556 -0.001 0.000 0.251 395 H C 0.367 175.755 175.328 0.101 0.000 1.741 395 H CA -0.790 55.283 56.048 0.041 0.000 1.387 395 H CB 0.027 29.797 29.762 0.013 0.000 1.740 395 H HN 0.372 nan 8.280 nan 0.000 0.544 396 I N -0.588 120.074 120.570 0.154 0.000 2.947 396 I HA 0.625 4.796 4.170 0.002 0.000 0.314 396 I C -0.060 176.024 176.117 -0.055 0.000 1.028 396 I CA -1.340 59.978 61.300 0.030 0.000 1.077 396 I CB 1.766 39.669 38.000 -0.161 0.000 1.274 396 I HN 0.044 nan 8.210 nan 0.000 0.485 397 V N -0.798 119.061 119.914 -0.091 0.000 3.019 397 V HA 0.674 4.795 4.120 0.002 0.000 0.317 397 V C -2.670 173.514 176.094 0.149 0.000 1.094 397 V CA -2.717 59.592 62.300 0.014 0.000 1.000 397 V CB 0.756 32.557 31.823 -0.037 0.000 1.060 397 V HN 0.661 nan 8.190 nan 0.000 0.443 398 P HA 0.220 nan 4.420 nan 0.000 0.259 398 P C 0.944 178.237 177.300 -0.011 0.000 1.155 398 P CA 2.239 65.400 63.100 0.101 0.000 0.759 398 P CB 0.185 31.927 31.700 0.070 0.000 0.753 399 G N 1.676 110.427 108.800 -0.082 0.000 2.218 399 G HA2 -0.176 3.785 3.960 0.002 0.000 0.216 399 G HA3 -0.176 3.785 3.960 0.002 0.000 0.216 399 G C -0.299 174.517 174.900 -0.139 0.000 0.994 399 G CA -0.435 44.602 45.100 -0.106 0.000 0.637 399 G HN 0.482 nan 8.290 nan 0.000 0.505 400 L N 0.183 121.333 121.223 -0.122 0.000 2.350 400 L HA 0.903 5.244 4.340 0.002 0.000 0.260 400 L C -0.641 176.168 176.870 -0.102 0.000 1.015 400 L CA -0.901 53.843 54.840 -0.159 0.000 0.821 400 L CB 2.324 44.216 42.059 -0.279 0.000 1.370 400 L HN 0.125 nan 8.230 nan 0.000 0.416 401 D N -0.667 119.648 120.400 -0.141 0.000 2.692 401 D HA 0.448 5.089 4.640 0.002 0.000 0.303 401 D C -1.473 174.721 176.300 -0.176 0.000 1.278 401 D CA -0.288 53.584 54.000 -0.212 0.000 0.852 401 D CB 1.966 42.719 40.800 -0.079 0.000 1.375 401 D HN 0.018 nan 8.370 nan 0.000 0.453 402 F N 0.020 120.091 119.950 0.201 0.000 2.461 402 F HA 0.552 5.080 4.527 0.002 0.000 0.332 402 F C 1.396 177.204 175.800 0.014 0.000 1.073 402 F CA -0.305 57.737 58.000 0.070 0.000 1.017 402 F CB 1.111 40.119 39.000 0.013 0.000 1.301 402 F HN 0.181 nan 8.300 nan 0.000 0.492 403 T N -2.947 111.689 114.554 0.138 0.000 2.773 403 T HA 0.348 4.699 4.350 0.002 0.000 0.278 403 T C 0.050 174.796 174.700 0.078 0.000 1.011 403 T CA -0.853 61.323 62.100 0.126 0.000 1.014 403 T CB 0.950 69.887 68.868 0.115 0.000 1.293 403 T HN 0.301 nan 8.240 nan 0.000 0.554 404 N N 1.346 120.096 118.700 0.082 0.000 2.421 404 N HA 0.097 4.838 4.740 0.002 0.000 0.201 404 N C -0.112 175.417 175.510 0.031 0.000 1.198 404 N CA -0.025 53.055 53.050 0.049 0.000 0.838 404 N CB -0.526 38.004 38.487 0.070 0.000 1.011 404 N HN 0.641 nan 8.380 nan 0.000 0.463 405 D N 1.814 122.218 120.400 0.006 0.000 2.581 405 D HA -0.062 4.579 4.640 0.002 0.000 0.238 405 D C -1.302 175.004 176.300 0.010 0.000 1.145 405 D CA -1.019 53.002 54.000 0.035 0.000 0.866 405 D CB 1.395 42.167 40.800 -0.047 0.000 1.151 405 D HN 0.142 nan 8.370 nan 0.000 0.500 406 P HA -0.119 nan 4.420 nan 0.000 0.221 406 P C 1.666 178.978 177.300 0.019 0.000 1.150 406 P CA 0.293 63.418 63.100 0.041 0.000 0.800 406 P CB 0.399 32.136 31.700 0.061 0.000 0.787 407 L N -0.613 120.634 121.223 0.039 0.000 2.068 407 L HA -0.015 4.326 4.340 0.002 0.000 0.204 407 L C 2.580 179.315 176.870 -0.226 0.000 1.076 407 L CA 1.288 56.129 54.840 0.002 0.000 0.753 407 L CB -1.312 40.834 42.059 0.146 0.000 0.910 407 L HN -0.186 nan 8.230 nan 0.000 0.439 408 L N -0.700 120.190 121.223 -0.555 0.000 1.990 408 L HA -0.284 4.057 4.340 0.002 0.000 0.213 408 L C 2.642 179.253 176.870 -0.432 0.000 1.072 408 L CA 1.668 56.025 54.840 -0.805 0.000 0.755 408 L CB -0.474 41.045 42.059 -0.901 0.000 0.889 408 L HN 0.457 nan 8.230 nan 0.000 0.432 409 Q N -0.599 119.032 119.800 -0.282 0.000 2.197 409 Q HA -0.189 4.152 4.340 0.002 0.000 0.207 409 Q C 1.987 177.908 176.000 -0.132 0.000 0.984 409 Q CA 1.752 57.431 55.803 -0.207 0.000 0.869 409 Q CB -0.516 28.153 28.738 -0.115 0.000 0.906 409 Q HN 0.674 nan 8.270 nan 0.000 0.426 410 G N 0.404 109.155 108.800 -0.081 0.000 2.396 410 G HA2 -0.188 3.773 3.960 0.002 0.000 0.214 410 G HA3 -0.188 3.773 3.960 0.002 0.000 0.214 410 G C 1.536 176.467 174.900 0.051 0.000 1.166 410 G CA 0.135 45.244 45.100 0.015 0.000 0.793 410 G HN 0.238 nan 8.290 nan 0.000 0.533 411 R N -0.546 119.925 120.500 -0.049 0.000 2.103 411 R HA -0.085 4.256 4.340 0.002 0.000 0.242 411 R C 2.435 178.806 176.300 0.118 0.000 1.142 411 R CA 0.972 57.093 56.100 0.035 0.000 0.960 411 R CB -0.510 29.743 30.300 -0.079 0.000 0.858 411 R HN 0.233 nan 8.270 nan 0.000 0.439 412 L N -0.015 121.165 121.223 -0.073 0.000 2.013 412 L HA -0.223 4.118 4.340 0.002 0.000 0.212 412 L C 2.119 179.096 176.870 0.178 0.000 1.073 412 L CA 1.656 56.453 54.840 -0.071 0.000 0.753 412 L CB -0.985 40.885 42.059 -0.315 0.000 0.890 412 L HN 0.105 nan 8.230 nan 0.000 0.432 413 F N -0.281 119.685 119.950 0.028 0.000 2.069 413 F HA -0.288 4.241 4.527 0.003 0.000 0.298 413 F C 2.890 178.712 175.800 0.036 0.000 1.113 413 F CA 1.895 59.912 58.000 0.027 0.000 1.214 413 F CB -0.892 38.111 39.000 0.005 0.000 0.978 413 F HN 0.105 nan 8.300 nan 0.000 0.474 414 S N -0.595 114.947 115.700 -0.264 0.000 2.372 414 S HA -0.264 4.207 4.470 0.002 0.000 0.227 414 S C 1.946 176.349 174.600 -0.329 0.000 1.044 414 S CA 1.915 59.898 58.200 -0.362 0.000 1.050 414 S CB -0.759 62.362 63.200 -0.132 0.000 0.901 414 S HN 0.522 nan 8.310 nan 0.000 0.447 415 Y N 1.421 121.517 120.300 -0.340 0.000 2.546 415 Y HA 0.255 4.807 4.550 0.003 0.000 0.287 415 Y C 2.610 178.096 175.900 -0.691 0.000 1.158 415 Y CA 0.160 58.013 58.100 -0.412 0.000 1.307 415 Y CB -1.663 36.746 38.460 -0.085 0.000 1.036 415 Y HN 0.221 nan 8.280 nan 0.000 0.532 416 T N -0.421 113.750 114.554 -0.639 0.000 2.851 416 T HA -0.140 4.211 4.350 0.002 0.000 0.262 416 T C 1.519 176.035 174.700 -0.306 0.000 1.043 416 T CA 1.554 63.424 62.100 -0.384 0.000 1.140 416 T CB -0.222 68.500 68.868 -0.243 0.000 0.872 416 T HN 0.291 nan 8.240 nan 0.000 0.446 417 D N 0.888 121.041 120.400 -0.411 0.000 2.097 417 D HA -0.114 4.527 4.640 0.002 0.000 0.195 417 D C 2.274 178.418 176.300 -0.259 0.000 0.989 417 D CA 1.424 55.209 54.000 -0.358 0.000 0.827 417 D CB -0.438 39.989 40.800 -0.623 0.000 0.966 417 D HN 0.205 nan 8.370 nan 0.000 0.456 418 T N -1.058 113.319 114.554 -0.295 0.000 2.849 418 T HA -0.164 4.186 4.350 0.002 0.000 0.270 418 T C 1.739 176.299 174.700 -0.233 0.000 1.066 418 T CA 1.356 63.315 62.100 -0.234 0.000 1.130 418 T CB -0.215 68.496 68.868 -0.262 0.000 0.864 418 T HN 0.157 nan 8.240 nan 0.000 0.481 419 Q N -0.159 119.440 119.800 -0.334 0.000 2.369 419 Q HA 0.071 4.412 4.340 0.002 0.000 0.206 419 Q C 2.019 177.913 176.000 -0.177 0.000 0.963 419 Q CA 0.712 56.277 55.803 -0.397 0.000 0.894 419 Q CB -0.010 28.153 28.738 -0.957 0.000 0.965 419 Q HN 0.467 nan 8.270 nan 0.000 0.475 420 I N -0.087 120.429 120.570 -0.089 0.000 2.315 420 I HA -0.208 3.962 4.170 0.002 0.000 0.248 420 I C 2.101 178.211 176.117 -0.011 0.000 1.117 420 I CA 1.549 62.851 61.300 0.004 0.000 1.404 420 I CB -1.325 36.684 38.000 0.013 0.000 1.071 420 I HN 0.210 nan 8.210 nan 0.000 0.419 421 S N 0.125 115.802 115.700 -0.040 0.000 2.441 421 S HA -0.010 4.461 4.470 0.002 0.000 0.224 421 S C 2.120 176.699 174.600 -0.035 0.000 1.043 421 S CA -0.047 58.137 58.200 -0.026 0.000 0.948 421 S CB -0.247 62.940 63.200 -0.021 0.000 0.810 421 S HN 0.290 nan 8.310 nan 0.000 0.504 422 R N 1.067 121.526 120.500 -0.068 0.000 2.073 422 R HA 0.144 4.485 4.340 0.002 0.000 0.234 422 R C 1.251 177.515 176.300 -0.060 0.000 1.134 422 R CA 1.417 57.475 56.100 -0.070 0.000 0.952 422 R CB -0.227 30.004 30.300 -0.115 0.000 0.850 422 R HN 0.421 nan 8.270 nan 0.000 0.433 423 L N -0.545 120.633 121.223 -0.075 0.000 2.910 423 L HA 0.306 4.647 4.340 0.002 0.000 0.252 423 L C 0.819 177.699 176.870 0.016 0.000 1.195 423 L CA 0.286 55.100 54.840 -0.043 0.000 1.003 423 L CB 1.022 43.037 42.059 -0.074 0.000 1.328 423 L HN 0.587 nan 8.230 nan 0.000 0.540 424 G N 0.289 109.097 108.800 0.014 0.000 2.168 424 G HA2 -0.185 3.776 3.960 0.002 0.000 0.263 424 G HA3 -0.185 3.776 3.960 0.002 0.000 0.263 424 G C 0.494 175.431 174.900 0.061 0.000 0.977 424 G CA 0.223 45.342 45.100 0.031 0.000 0.659 424 G HN 0.770 nan 8.290 nan 0.000 0.533 425 G N -1.819 107.044 108.800 0.105 0.000 2.341 425 G HA2 0.604 4.565 3.960 0.002 0.000 0.293 425 G HA3 0.604 4.565 3.960 0.002 0.000 0.293 425 G C -2.300 172.733 174.900 0.222 0.000 1.298 425 G CA 0.317 45.494 45.100 0.128 0.000 0.868 425 G HN 0.452 nan 8.290 nan 0.000 0.540 426 P HA 0.137 nan 4.420 nan 0.000 0.253 426 P C 0.082 177.368 177.300 -0.023 0.000 1.281 426 P CA 0.415 63.581 63.100 0.110 0.000 0.792 426 P CB 0.101 31.843 31.700 0.069 0.000 1.193 427 N N 0.001 118.700 118.700 -0.002 0.000 2.416 427 N HA 0.102 4.843 4.740 0.002 0.000 0.267 427 N C 0.848 176.233 175.510 -0.209 0.000 1.294 427 N CA -0.283 52.702 53.050 -0.110 0.000 0.891 427 N CB -0.227 38.222 38.487 -0.063 0.000 1.238 427 N HN 0.193 nan 8.380 nan 0.000 0.508 428 F N 0.676 120.620 119.950 -0.010 0.000 2.365 428 F HA -0.048 4.474 4.527 -0.008 0.000 0.300 428 F C 2.268 178.004 175.800 -0.107 0.000 1.090 428 F CA 0.774 58.731 58.000 -0.071 0.000 1.408 428 F CB -0.760 38.212 39.000 -0.047 0.000 1.060 428 F HN 0.149 nan 8.300 nan 0.000 0.534 429 H N 0.522 119.334 119.070 -0.431 0.000 2.561 429 H HA 0.059 4.615 4.556 -0.000 0.000 0.278 429 H C 0.781 175.972 175.328 -0.227 0.000 1.014 429 H CA 1.354 57.201 56.048 -0.335 0.000 1.211 429 H CB -0.681 28.742 29.762 -0.565 0.000 1.365 429 H HN 0.539 nan 8.280 nan 0.000 0.594 430 E N 0.795 120.591 120.200 -0.673 0.000 2.452 430 E HA 0.191 4.542 4.350 0.002 0.000 0.197 430 E C 0.373 176.854 176.600 -0.197 0.000 1.022 430 E CA -0.319 55.833 56.400 -0.414 0.000 0.890 430 E CB 0.661 30.147 29.700 -0.356 0.000 0.918 430 E HN 0.392 nan 8.360 nan 0.000 0.496 431 I N 2.990 123.464 120.570 -0.162 0.000 2.668 431 I HA -0.062 4.109 4.170 0.002 0.000 0.285 431 I C -1.564 174.488 176.117 -0.108 0.000 1.168 431 I CA -1.293 59.938 61.300 -0.115 0.000 1.424 431 I CB 0.683 38.628 38.000 -0.092 0.000 1.377 431 I HN -0.173 nan 8.210 nan 0.000 0.560 432 P HA -0.230 nan 4.420 nan 0.000 0.216 432 P C 1.671 178.896 177.300 -0.126 0.000 1.153 432 P CA 1.158 64.202 63.100 -0.093 0.000 0.858 432 P CB 0.170 31.824 31.700 -0.076 0.000 0.789 433 I N -0.959 119.509 120.570 -0.171 0.000 2.567 433 I HA -0.155 4.016 4.170 0.002 0.000 0.257 433 I C 1.182 177.218 176.117 -0.135 0.000 1.184 433 I CA 1.633 62.783 61.300 -0.250 0.000 1.451 433 I CB -0.514 37.238 38.000 -0.414 0.000 1.089 433 I HN -0.115 nan 8.210 nan 0.000 0.441 434 N N 0.394 119.037 118.700 -0.096 0.000 2.299 434 N HA 0.113 4.854 4.740 0.002 0.000 0.187 434 N C 0.144 175.650 175.510 -0.006 0.000 1.099 434 N CA 0.105 53.125 53.050 -0.049 0.000 0.867 434 N CB 0.114 38.578 38.487 -0.040 0.000 0.974 434 N HN 0.321 nan 8.380 nan 0.000 0.477 435 R N 1.665 122.158 120.500 -0.013 0.000 2.442 435 R HA 0.186 4.527 4.340 0.002 0.000 0.291 435 R C -2.271 174.074 176.300 0.076 0.000 1.069 435 R CA -1.361 54.729 56.100 -0.018 0.000 1.022 435 R CB -0.044 30.264 30.300 0.012 0.000 0.976 435 R HN -0.021 nan 8.270 nan 0.000 0.443 436 P HA -0.094 nan 4.420 nan 0.000 0.263 436 P C 0.540 177.954 177.300 0.189 0.000 1.175 436 P CA 0.547 63.727 63.100 0.133 0.000 0.761 436 P CB 0.554 32.303 31.700 0.081 0.000 0.794 437 T N -1.570 113.093 114.554 0.181 0.000 3.100 437 T HA 0.072 4.423 4.350 0.002 0.000 0.253 437 T C 0.834 175.604 174.700 0.116 0.000 1.118 437 T CA -0.020 62.140 62.100 0.100 0.000 1.058 437 T CB -0.919 67.980 68.868 0.051 0.000 0.953 437 T HN 0.576 nan 8.240 nan 0.000 0.515 438 C N 0.449 119.841 119.300 0.153 0.000 2.407 438 C HA 0.832 5.293 4.460 0.002 0.000 0.366 438 C C -2.722 172.362 174.990 0.157 0.000 1.213 438 C CA -2.805 56.292 59.018 0.132 0.000 2.011 438 C CB 0.688 28.506 27.740 0.130 0.000 2.306 438 C HN 0.111 nan 8.230 nan 0.000 0.527 439 P HA 0.332 nan 4.420 nan 0.000 0.268 439 P C -1.317 176.040 177.300 0.094 0.000 1.205 439 P CA 0.425 63.546 63.100 0.036 0.000 0.771 439 P CB -0.090 31.675 31.700 0.108 0.000 0.858 440 Y N -0.609 119.593 120.300 -0.164 0.000 2.396 440 Y HA 0.724 5.275 4.550 0.002 0.000 0.332 440 Y C -0.941 174.731 175.900 -0.379 0.000 1.034 440 Y CA -1.168 56.837 58.100 -0.158 0.000 1.057 440 Y CB 1.165 39.549 38.460 -0.126 0.000 1.220 440 Y HN 0.374 nan 8.280 nan 0.000 0.440 441 H N 2.511 121.565 119.070 -0.025 0.000 2.865 441 H HA 0.652 5.210 4.556 0.003 0.000 0.362 441 H C -0.950 174.310 175.328 -0.113 0.000 1.114 441 H CA -0.847 55.130 56.048 -0.117 0.000 1.208 441 H CB 1.912 31.585 29.762 -0.149 0.000 1.727 441 H HN 0.885 nan 8.280 nan 0.000 0.534 442 N N 0.147 118.773 118.700 -0.122 0.000 3.517 442 N HA 0.206 4.947 4.740 0.002 0.000 0.329 442 N C -1.350 173.961 175.510 -0.332 0.000 1.569 442 N CA -0.824 52.114 53.050 -0.186 0.000 0.852 442 N CB 0.836 39.322 38.487 -0.000 0.000 1.955 442 N HN 0.300 nan 8.380 nan 0.000 0.555 443 F N -0.303 119.680 119.950 0.055 0.000 2.735 443 F HA 0.399 4.926 4.527 0.000 0.000 0.304 443 F C 0.057 175.891 175.800 0.057 0.000 1.119 443 F CA -0.381 57.651 58.000 0.054 0.000 1.280 443 F CB 0.325 39.352 39.000 0.045 0.000 0.994 443 F HN 0.155 nan 8.300 nan 0.000 0.520 444 Q N 1.804 121.698 119.800 0.157 0.000 2.304 444 Q HA 0.415 4.756 4.340 0.002 0.000 0.260 444 Q C 0.058 176.118 176.000 0.099 0.000 0.965 444 Q CA -0.140 55.730 55.803 0.112 0.000 0.898 444 Q CB 1.234 30.007 28.738 0.059 0.000 1.196 444 Q HN 0.086 nan 8.270 nan 0.000 0.402 445 R N 1.993 122.552 120.500 0.098 0.000 2.854 445 R HA 0.373 4.714 4.340 0.002 0.000 0.271 445 R C -0.425 175.917 176.300 0.069 0.000 0.994 445 R CA -0.620 55.531 56.100 0.086 0.000 0.945 445 R CB 1.193 31.553 30.300 0.099 0.000 1.194 445 R HN 0.690 nan 8.270 nan 0.000 0.476 446 D N -0.064 120.371 120.400 0.059 0.000 3.369 446 D HA -0.191 4.450 4.640 0.002 0.000 0.217 446 D C 0.250 176.580 176.300 0.049 0.000 1.532 446 D CA 2.001 56.030 54.000 0.049 0.000 1.126 446 D CB -1.012 39.816 40.800 0.047 0.000 0.683 446 D HN 0.881 nan 8.370 nan 0.000 0.827 447 G N -1.319 107.509 108.800 0.047 0.000 2.728 447 G HA2 0.110 4.071 3.960 0.002 0.000 0.686 447 G HA3 0.110 4.071 3.960 0.002 0.000 0.686 447 G C -0.150 174.783 174.900 0.054 0.000 1.337 447 G CA 0.061 45.191 45.100 0.051 0.000 0.861 447 G HN 0.747 nan 8.290 nan 0.000 0.597 448 M N 1.469 121.105 119.600 0.061 0.000 2.255 448 M HA 0.257 4.738 4.480 0.002 0.000 0.356 448 M C 1.185 177.560 176.300 0.126 0.000 1.338 448 M CA 1.428 56.775 55.300 0.079 0.000 0.962 448 M CB -0.780 31.865 32.600 0.075 0.000 1.877 448 M HN 1.297 nan 8.290 nan 0.000 0.463 449 H N 1.264 120.339 119.070 0.008 0.000 2.496 449 H HA -0.208 4.344 4.556 -0.006 0.000 0.323 449 H C -0.544 174.775 175.328 -0.014 0.000 1.054 449 H CA 0.458 56.507 56.048 0.001 0.000 1.095 449 H CB -0.463 29.302 29.762 0.005 0.000 1.595 449 H HN 0.586 nan 8.280 nan 0.000 0.388 450 R N 2.545 123.092 120.500 0.079 0.000 2.296 450 R HA 0.054 4.395 4.340 0.002 0.000 0.323 450 R C 0.837 177.152 176.300 0.026 0.000 1.067 450 R CA -0.125 56.002 56.100 0.044 0.000 0.946 450 R CB 0.290 30.607 30.300 0.027 0.000 0.991 450 R HN 0.431 nan 8.270 nan 0.000 0.448 451 M N 2.478 122.103 119.600 0.043 0.000 2.357 451 M HA 0.214 4.695 4.480 0.002 0.000 0.266 451 M C 0.915 177.218 176.300 0.005 0.000 1.095 451 M CA 0.842 56.160 55.300 0.030 0.000 1.156 451 M CB -0.616 32.010 32.600 0.044 0.000 1.365 451 M HN 0.663 nan 8.290 nan 0.000 0.447 452 G N 1.479 110.283 108.800 0.006 0.000 2.370 452 G HA2 0.504 4.464 3.960 0.002 0.000 0.272 452 G HA3 0.504 4.464 3.960 0.002 0.000 0.272 452 G C -0.581 174.319 174.900 -0.001 0.000 1.208 452 G CA -0.447 44.652 45.100 -0.003 0.000 0.856 452 G HN 0.252 nan 8.290 nan 0.000 0.500 453 I N 2.459 123.024 120.570 -0.008 0.000 2.307 453 I HA 0.116 4.287 4.170 0.002 0.000 0.289 453 I C -0.363 175.753 176.117 -0.001 0.000 1.021 453 I CA -0.502 60.797 61.300 -0.002 0.000 1.224 453 I CB 1.270 39.267 38.000 -0.006 0.000 1.376 453 I HN 0.351 nan 8.210 nan 0.000 0.470 454 D N 5.328 125.733 120.400 0.009 0.000 2.325 454 D HA 0.071 4.712 4.640 0.002 0.000 0.251 454 D C 1.177 177.488 176.300 0.018 0.000 1.196 454 D CA 0.136 54.144 54.000 0.013 0.000 0.866 454 D CB 1.599 42.414 40.800 0.025 0.000 1.101 454 D HN 0.588 nan 8.370 nan 0.000 0.476 455 T N -0.620 113.941 114.554 0.011 0.000 3.107 455 T HA -0.082 4.269 4.350 0.002 0.000 0.249 455 T C 0.875 175.589 174.700 0.023 0.000 1.096 455 T CA -0.508 61.600 62.100 0.013 0.000 1.012 455 T CB 0.089 68.957 68.868 -0.000 0.000 0.977 455 T HN 0.095 nan 8.240 nan 0.000 0.527 456 N N 3.435 122.152 118.700 0.028 0.000 2.411 456 N HA 0.088 4.829 4.740 0.002 0.000 0.265 456 N C -1.677 173.879 175.510 0.076 0.000 1.266 456 N CA -1.643 51.435 53.050 0.048 0.000 0.889 456 N CB 1.399 39.912 38.487 0.043 0.000 1.069 456 N HN 0.086 nan 8.380 nan 0.000 0.476 457 P HA -0.006 nan 4.420 nan 0.000 0.221 457 P C -0.574 176.798 177.300 0.119 0.000 1.145 457 P CA 0.844 63.997 63.100 0.088 0.000 0.795 457 P CB 0.238 31.983 31.700 0.075 0.000 0.775 458 A N 0.774 123.664 122.820 0.117 0.000 2.312 458 A HA 0.494 4.815 4.320 0.002 0.000 0.328 458 A C 0.190 177.921 177.584 0.245 0.000 1.158 458 A CA -0.701 51.377 52.037 0.070 0.000 0.821 458 A CB 0.188 19.072 19.000 -0.193 0.000 1.170 458 A HN 0.276 nan 8.150 nan 0.000 0.490 459 N N -0.042 118.826 118.700 0.280 0.000 2.571 459 N HA 0.429 5.170 4.740 0.002 0.000 0.298 459 N C -1.147 174.512 175.510 0.248 0.000 1.671 459 N CA -0.420 52.903 53.050 0.455 0.000 0.900 459 N CB 0.501 39.178 38.487 0.317 0.000 1.365 459 N HN 0.658 nan 8.380 nan 0.000 0.493 460 Y N -1.460 118.608 120.300 -0.387 0.000 2.565 460 Y HA 0.619 5.169 4.550 0.000 0.000 0.330 460 Y C -1.720 173.550 175.900 -1.049 0.000 1.150 460 Y CA -1.355 56.380 58.100 -0.609 0.000 1.055 460 Y CB 0.808 39.115 38.460 -0.255 0.000 1.337 460 Y HN 0.112 nan 8.280 nan 0.000 0.457 461 E N 1.998 121.669 120.200 -0.882 0.000 2.343 461 E HA 0.730 5.080 4.350 0.002 0.000 0.270 461 E C -3.105 173.388 176.600 -0.179 0.000 0.895 461 E CA -2.098 53.936 56.400 -0.610 0.000 0.767 461 E CB 1.628 31.004 29.700 -0.540 0.000 1.248 461 E HN 0.561 nan 8.360 nan 0.000 0.440 462 P HA 0.266 nan 4.420 nan 0.000 0.275 462 P C -1.281 175.964 177.300 -0.092 0.000 1.227 462 P CA -0.431 62.607 63.100 -0.104 0.000 0.781 462 P CB 0.489 32.161 31.700 -0.048 0.000 0.906 463 N N -1.101 117.480 118.700 -0.199 0.000 2.235 463 N HA 0.297 5.038 4.740 0.002 0.000 0.293 463 N C 0.293 175.755 175.510 -0.080 0.000 1.083 463 N CA -0.762 52.178 53.050 -0.183 0.000 0.801 463 N CB 1.526 39.633 38.487 -0.633 0.000 1.559 463 N HN 0.162 nan 8.380 nan 0.000 0.472 464 S N 1.324 117.025 115.700 0.000 0.000 2.492 464 S HA -0.023 4.448 4.470 0.002 0.000 0.218 464 S C 1.589 176.201 174.600 0.019 0.000 1.016 464 S CA 0.163 58.364 58.200 0.002 0.000 0.916 464 S CB -0.822 62.390 63.200 0.020 0.000 0.791 464 S HN 0.729 nan 8.310 nan 0.000 0.513 465 I N -0.338 120.253 120.570 0.035 0.000 2.676 465 I HA 0.193 4.364 4.170 0.002 0.000 0.259 465 I C 1.290 177.442 176.117 0.058 0.000 1.194 465 I CA 1.324 62.657 61.300 0.054 0.000 1.473 465 I CB -0.380 37.670 38.000 0.084 0.000 1.096 465 I HN 0.206 nan 8.210 nan 0.000 0.443 466 N N 1.327 120.059 118.700 0.053 0.000 2.416 466 N HA 0.047 4.788 4.740 0.002 0.000 0.267 466 N C -0.192 175.408 175.510 0.150 0.000 1.294 466 N CA -0.164 52.954 53.050 0.114 0.000 0.891 466 N CB -0.081 38.486 38.487 0.132 0.000 1.238 466 N HN 0.243 nan 8.380 nan 0.000 0.508 467 D N 0.765 121.207 120.400 0.069 0.000 2.686 467 D HA -0.265 4.376 4.640 0.002 0.000 0.235 467 D C -0.062 176.127 176.300 -0.185 0.000 1.160 467 D CA 1.044 55.048 54.000 0.006 0.000 0.645 467 D CB -1.443 39.424 40.800 0.113 0.000 1.039 467 D HN 0.509 nan 8.370 nan 0.000 0.423 468 N N -1.364 117.239 118.700 -0.161 0.000 2.678 468 N HA -0.255 4.486 4.740 0.002 0.000 0.250 468 N C -0.855 174.483 175.510 -0.287 0.000 1.136 468 N CA 1.433 54.343 53.050 -0.233 0.000 0.757 468 N CB -1.057 37.259 38.487 -0.284 0.000 1.135 468 N HN 0.569 nan 8.380 nan 0.000 0.565 469 W N 0.963 122.305 121.300 0.071 0.000 2.316 469 W HA 0.378 5.038 4.660 0.000 0.000 0.321 469 W C -1.653 174.891 176.519 0.042 0.000 1.203 469 W CA -1.630 55.740 57.345 0.042 0.000 1.214 469 W CB 0.547 29.988 29.460 -0.032 0.000 1.169 469 W HN -0.010 nan 8.180 nan 0.000 0.561 470 P HA 0.171 nan 4.420 nan 0.000 0.275 470 P C -0.498 176.921 177.300 0.199 0.000 1.227 470 P CA -0.158 63.104 63.100 0.271 0.000 0.781 470 P CB 0.991 32.717 31.700 0.042 0.000 0.906 471 R N 1.885 122.456 120.500 0.119 0.000 2.536 471 R HA 0.336 4.677 4.340 0.002 0.000 0.279 471 R C 0.369 176.691 176.300 0.035 0.000 1.001 471 R CA -0.850 55.196 56.100 -0.089 0.000 1.027 471 R CB 0.796 30.852 30.300 -0.407 0.000 1.096 471 R HN 0.523 nan 8.270 nan 0.000 0.502 472 E N 0.901 121.111 120.200 0.016 0.000 2.413 472 E HA 0.045 4.396 4.350 0.002 0.000 0.263 472 E C -0.460 176.164 176.600 0.039 0.000 1.015 472 E CA 0.616 57.042 56.400 0.044 0.000 0.916 472 E CB 0.643 30.361 29.700 0.030 0.000 0.947 472 E HN 0.298 nan 8.360 nan 0.000 0.440 473 T N 4.196 118.785 114.554 0.059 0.000 2.797 473 T HA 0.332 4.683 4.350 0.002 0.000 0.279 473 T C -2.291 172.433 174.700 0.039 0.000 0.991 473 T CA -1.626 60.506 62.100 0.053 0.000 0.979 473 T CB 1.286 70.196 68.868 0.071 0.000 0.943 473 T HN 0.259 nan 8.240 nan 0.000 0.444 474 P HA 0.189 nan 4.420 nan 0.000 0.268 474 P C -2.477 174.827 177.300 0.007 0.000 1.208 474 P CA -1.140 61.967 63.100 0.012 0.000 0.777 474 P CB -0.296 31.407 31.700 0.006 0.000 0.875 475 P HA 0.255 nan 4.420 nan 0.000 0.271 475 P C -0.145 177.141 177.300 -0.023 0.000 1.216 475 P CA 0.312 63.395 63.100 -0.030 0.000 0.776 475 P CB 0.940 32.602 31.700 -0.064 0.000 0.881 476 G N 2.217 111.004 108.800 -0.022 0.000 2.663 476 G HA2 0.452 4.412 3.960 0.002 0.000 0.299 476 G HA3 0.452 4.412 3.960 0.002 0.000 0.299 476 G C -2.290 172.599 174.900 -0.018 0.000 1.372 476 G CA -0.836 44.255 45.100 -0.015 0.000 0.781 476 G HN 0.174 nan 8.290 nan 0.000 0.491 477 P HA 0.019 nan 4.420 nan 0.000 0.218 477 P C 0.276 177.573 177.300 -0.005 0.000 1.149 477 P CA 1.213 64.305 63.100 -0.012 0.000 0.817 477 P CB 0.391 32.086 31.700 -0.009 0.000 0.785 478 K N -1.498 118.906 120.400 0.006 0.000 2.508 478 K HA 0.375 4.696 4.320 0.002 0.000 0.260 478 K C 0.031 176.647 176.600 0.026 0.000 0.949 478 K CA -0.717 55.581 56.287 0.018 0.000 0.834 478 K CB 1.125 33.637 32.500 0.020 0.000 1.365 478 K HN -0.363 nan 8.250 nan 0.000 0.437 479 R N -0.003 120.521 120.500 0.039 0.000 3.701 479 R HA -0.168 4.173 4.340 0.002 0.000 0.276 479 R C -0.004 176.325 176.300 0.048 0.000 1.150 479 R CA 1.155 57.285 56.100 0.049 0.000 0.763 479 R CB -2.565 27.764 30.300 0.049 0.000 1.147 479 R HN 0.817 nan 8.270 nan 0.000 0.489 480 G N -1.133 107.690 108.800 0.038 0.000 2.511 480 G HA2 0.615 4.576 3.960 0.002 0.000 0.316 480 G HA3 0.615 4.576 3.960 0.002 0.000 0.316 480 G C 0.336 175.265 174.900 0.048 0.000 1.210 480 G CA -0.011 45.109 45.100 0.033 0.000 0.969 480 G HN 0.275 nan 8.290 nan 0.000 0.492 481 G N -1.391 107.438 108.800 0.048 0.000 2.606 481 G HA2 0.396 4.357 3.960 0.002 0.000 0.252 481 G HA3 0.396 4.357 3.960 0.002 0.000 0.252 481 G C -0.771 174.168 174.900 0.065 0.000 1.206 481 G CA -0.512 44.636 45.100 0.080 0.000 0.861 481 G HN 0.421 nan 8.290 nan 0.000 0.561 482 F N 0.390 120.356 119.950 0.026 0.000 2.438 482 F HA 0.401 4.930 4.527 0.004 0.000 0.356 482 F C 0.520 176.336 175.800 0.027 0.000 1.099 482 F CA -0.289 57.723 58.000 0.020 0.000 1.185 482 F CB 0.936 39.950 39.000 0.025 0.000 1.115 482 F HN 0.414 nan 8.300 nan 0.000 0.526 483 E N 3.963 123.805 120.200 -0.598 0.000 2.256 483 E HA 0.327 4.678 4.350 0.002 0.000 0.268 483 E C -1.100 175.198 176.600 -0.503 0.000 0.877 483 E CA -0.735 55.465 56.400 -0.334 0.000 0.757 483 E CB 1.566 31.148 29.700 -0.197 0.000 1.183 483 E HN 0.620 nan 8.360 nan 0.000 0.418 484 S N 2.274 117.907 115.700 -0.112 0.000 2.592 484 S HA 0.054 4.525 4.470 0.002 0.000 0.271 484 S C -0.572 174.038 174.600 0.017 0.000 1.326 484 S CA -0.423 57.794 58.200 0.029 0.000 1.024 484 S CB 0.277 63.599 63.200 0.202 0.000 0.921 484 S HN 0.468 nan 8.310 nan 0.000 0.527 485 Y N 2.196 122.454 120.300 -0.070 0.000 2.544 485 Y HA 0.046 4.596 4.550 0.001 0.000 0.330 485 Y C 0.772 176.656 175.900 -0.027 0.000 1.136 485 Y CA -0.039 58.019 58.100 -0.070 0.000 1.417 485 Y CB 0.191 38.604 38.460 -0.078 0.000 1.229 485 Y HN 0.574 nan 8.280 nan 0.000 0.532 486 Q N 5.576 125.018 119.800 -0.596 0.000 3.254 486 Q HA 0.010 4.351 4.340 0.002 0.000 0.315 486 Q C -0.187 175.520 176.000 -0.488 0.000 1.405 486 Q CA -0.039 55.514 55.803 -0.417 0.000 0.966 486 Q CB -0.150 28.420 28.738 -0.281 0.000 1.706 486 Q HN 0.674 nan 8.270 nan 0.000 0.525 487 E N 1.545 121.508 120.200 -0.395 0.000 2.383 487 E HA 0.045 4.396 4.350 0.002 0.000 0.264 487 E C -0.361 176.188 176.600 -0.086 0.000 1.050 487 E CA -0.436 55.846 56.400 -0.197 0.000 0.896 487 E CB 0.755 30.472 29.700 0.028 0.000 0.982 487 E HN 0.235 nan 8.360 nan 0.000 0.424 488 R N 2.817 123.290 120.500 -0.045 0.000 2.390 488 R HA 0.276 4.617 4.340 0.002 0.000 0.291 488 R C -1.374 174.937 176.300 0.019 0.000 1.070 488 R CA -0.424 55.667 56.100 -0.015 0.000 1.014 488 R CB 0.939 31.235 30.300 -0.007 0.000 1.007 488 R HN 0.325 nan 8.270 nan 0.000 0.466 489 V N 5.491 125.413 119.914 0.013 0.000 2.407 489 V HA 0.304 4.425 4.120 0.002 0.000 0.291 489 V C -0.885 175.217 176.094 0.013 0.000 1.018 489 V CA -0.518 61.795 62.300 0.021 0.000 0.842 489 V CB 1.373 33.207 31.823 0.018 0.000 0.996 489 V HN 0.960 nan 8.190 nan 0.000 0.426 490 E N 3.968 124.177 120.200 0.015 0.000 2.290 490 E HA 0.859 5.210 4.350 0.002 0.000 0.274 490 E C -0.346 176.256 176.600 0.004 0.000 0.889 490 E CA -0.790 55.613 56.400 0.006 0.000 0.760 490 E CB 2.681 32.383 29.700 0.004 0.000 1.206 490 E HN 0.850 nan 8.360 nan 0.000 0.419 491 G N 1.878 110.676 108.800 -0.002 0.000 2.313 491 G HA2 0.164 4.125 3.960 0.002 0.000 0.296 491 G HA3 0.164 4.125 3.960 0.002 0.000 0.296 491 G C -1.593 173.301 174.900 -0.011 0.000 1.356 491 G CA -0.996 44.100 45.100 -0.007 0.000 0.833 491 G HN 0.422 nan 8.290 nan 0.000 0.552 492 N N 0.154 118.845 118.700 -0.015 0.000 2.482 492 N HA 0.364 5.105 4.740 0.002 0.000 0.279 492 N C -0.310 175.188 175.510 -0.021 0.000 1.182 492 N CA -0.407 52.633 53.050 -0.017 0.000 0.969 492 N CB 1.111 39.587 38.487 -0.018 0.000 1.201 492 N HN 0.476 nan 8.380 nan 0.000 0.523 493 K N 0.916 121.303 120.400 -0.022 0.000 2.351 493 K HA 0.192 4.513 4.320 0.002 0.000 0.287 493 K C -0.377 176.204 176.600 -0.032 0.000 1.068 493 K CA -0.143 56.128 56.287 -0.027 0.000 0.998 493 K CB -0.096 32.389 32.500 -0.025 0.000 0.968 493 K HN 0.377 nan 8.250 nan 0.000 0.464 494 V N 0.432 120.322 119.914 -0.039 0.000 2.760 494 V HA 0.465 4.585 4.120 0.002 0.000 0.309 494 V C -0.579 175.480 176.094 -0.058 0.000 1.077 494 V CA -1.260 61.013 62.300 -0.045 0.000 0.910 494 V CB 1.943 33.740 31.823 -0.043 0.000 1.008 494 V HN 0.631 nan 8.190 nan 0.000 0.424 495 R N 2.775 123.236 120.500 -0.065 0.000 2.369 495 R HA 0.644 4.985 4.340 0.002 0.000 0.310 495 R C -0.523 175.734 176.300 -0.072 0.000 1.141 495 R CA -0.136 55.914 56.100 -0.083 0.000 1.116 495 R CB 0.895 31.132 30.300 -0.105 0.000 1.135 495 R HN 0.955 nan 8.270 nan 0.000 0.529 496 E N 1.724 121.879 120.200 -0.075 0.000 2.352 496 E HA 0.246 4.597 4.350 0.002 0.000 0.280 496 E C -1.384 175.159 176.600 -0.095 0.000 0.930 496 E CA -0.970 55.389 56.400 -0.068 0.000 0.765 496 E CB 1.618 31.282 29.700 -0.059 0.000 1.219 496 E HN 0.124 nan 8.360 nan 0.000 0.434 497 R N 1.615 122.064 120.500 -0.085 0.000 2.357 497 R HA 0.299 4.640 4.340 0.002 0.000 0.296 497 R C -0.632 175.556 176.300 -0.187 0.000 1.052 497 R CA -0.039 55.977 56.100 -0.140 0.000 0.988 497 R CB 1.360 31.636 30.300 -0.041 0.000 1.025 497 R HN 0.388 nan 8.270 nan 0.000 0.469 498 S N 4.630 120.114 115.700 -0.361 0.000 2.549 498 S HA 0.106 4.576 4.470 0.002 0.000 0.286 498 S C -1.537 173.020 174.600 -0.071 0.000 1.314 498 S CA -1.208 56.844 58.200 -0.246 0.000 1.062 498 S CB 0.682 63.664 63.200 -0.363 0.000 0.865 498 S HN 0.532 nan 8.310 nan 0.000 0.498 499 P HA -0.105 nan 4.420 nan 0.000 0.219 499 P C 1.436 178.797 177.300 0.101 0.000 1.146 499 P CA 1.155 64.282 63.100 0.044 0.000 0.808 499 P CB -0.103 31.613 31.700 0.026 0.000 0.779 500 S N -2.235 113.566 115.700 0.167 0.000 2.528 500 S HA -0.113 4.358 4.470 0.002 0.000 0.244 500 S C 1.267 176.071 174.600 0.340 0.000 0.982 500 S CA 0.875 59.222 58.200 0.245 0.000 0.953 500 S CB -1.301 62.080 63.200 0.303 0.000 0.754 500 S HN -0.001 nan 8.310 nan 0.000 0.529 501 F N 1.629 121.570 119.950 -0.014 0.000 2.721 501 F HA 0.430 4.957 4.527 0.001 0.000 0.301 501 F C 2.120 177.852 175.800 -0.113 0.000 1.096 501 F CA -0.993 56.996 58.000 -0.018 0.000 1.308 501 F CB -0.579 38.443 39.000 0.037 0.000 1.086 501 F HN 0.339 nan 8.300 nan 0.000 0.587 502 G N -0.101 108.700 108.800 0.001 0.000 3.186 502 G HA2 -0.066 3.895 3.960 0.002 0.000 0.214 502 G HA3 -0.066 3.895 3.960 0.002 0.000 0.214 502 G C 0.353 174.800 174.900 -0.755 0.000 1.222 502 G CA 0.281 45.214 45.100 -0.278 0.000 0.921 502 G HN 0.093 nan 8.290 nan 0.000 0.504 503 E N -0.271 119.469 120.200 -0.768 0.000 2.234 503 E HA 0.347 4.698 4.350 0.002 0.000 0.266 503 E C -0.752 175.398 176.600 -0.750 0.000 0.877 503 E CA -0.844 55.167 56.400 -0.649 0.000 0.758 503 E CB 1.436 30.996 29.700 -0.233 0.000 1.170 503 E HN 0.163 nan 8.360 nan 0.000 0.415 504 Y N 2.755 122.863 120.300 -0.320 0.000 2.445 504 Y HA 0.193 4.744 4.550 0.002 0.000 0.247 504 Y C 0.531 176.101 175.900 -0.549 0.000 1.129 504 Y CA -0.073 57.699 58.100 -0.548 0.000 1.251 504 Y CB 0.435 38.390 38.460 -0.843 0.000 1.176 504 Y HN 0.452 nan 8.280 nan 0.000 0.522 505 Y N -2.188 118.178 120.300 0.110 0.000 2.441 505 Y HA 0.100 4.651 4.550 0.002 0.000 0.266 505 Y C 2.215 178.162 175.900 0.078 0.000 1.093 505 Y CA 0.143 58.304 58.100 0.102 0.000 1.246 505 Y CB -0.244 38.283 38.460 0.113 0.000 1.262 505 Y HN -0.069 nan 8.280 nan 0.000 0.518 506 S N -0.509 115.320 115.700 0.213 0.000 2.368 506 S HA -0.179 4.291 4.470 0.002 0.000 0.224 506 S C 1.351 176.012 174.600 0.102 0.000 1.029 506 S CA 1.732 60.026 58.200 0.156 0.000 0.988 506 S CB -0.532 62.757 63.200 0.149 0.000 0.838 506 S HN 0.432 nan 8.310 nan 0.000 0.462 507 H N 2.674 121.669 119.070 -0.125 0.000 2.389 507 H HA 0.081 4.638 4.556 0.002 0.000 0.299 507 H C -0.647 174.440 175.328 -0.402 0.000 1.081 507 H CA 1.173 57.019 56.048 -0.336 0.000 1.345 507 H CB -1.690 27.700 29.762 -0.621 0.000 1.393 507 H HN 0.386 nan 8.280 nan 0.000 0.520 508 P HA -0.178 nan 4.420 nan 0.000 0.216 508 P C 1.444 178.903 177.300 0.265 0.000 1.153 508 P CA 1.739 64.955 63.100 0.193 0.000 0.848 508 P CB 0.054 31.913 31.700 0.264 0.000 0.787 509 R N 0.003 120.618 120.500 0.193 0.000 2.115 509 R HA -0.095 4.246 4.340 0.002 0.000 0.230 509 R C 2.209 178.623 176.300 0.190 0.000 1.111 509 R CA 1.002 57.230 56.100 0.214 0.000 0.976 509 R CB -1.272 29.119 30.300 0.151 0.000 0.870 509 R HN 0.058 nan 8.270 nan 0.000 0.445 510 L N 0.548 121.828 121.223 0.094 0.000 2.083 510 L HA -0.064 4.277 4.340 0.002 0.000 0.209 510 L C 2.037 178.933 176.870 0.044 0.000 1.083 510 L CA 1.622 56.477 54.840 0.025 0.000 0.752 510 L CB -0.692 41.320 42.059 -0.077 0.000 0.899 510 L HN 0.291 nan 8.230 nan 0.000 0.433 511 F N -0.822 119.150 119.950 0.037 0.000 2.113 511 F HA -0.229 4.300 4.527 0.002 0.000 0.297 511 F C 2.318 178.128 175.800 0.016 0.000 1.103 511 F CA 1.938 59.943 58.000 0.009 0.000 1.248 511 F CB -0.845 38.204 39.000 0.082 0.000 0.999 511 F HN 0.350 nan 8.300 nan 0.000 0.475 512 W N 1.327 122.499 121.300 -0.213 0.000 2.338 512 W HA -0.222 4.439 4.660 0.001 0.000 0.304 512 W C 1.555 177.910 176.519 -0.272 0.000 1.212 512 W CA 1.631 58.830 57.345 -0.244 0.000 1.264 512 W CB -0.465 28.980 29.460 -0.024 0.000 1.142 512 W HN 0.088 nan 8.180 nan 0.000 0.512 513 L N 0.867 121.963 121.223 -0.212 0.000 2.395 513 L HA -0.088 4.253 4.340 0.002 0.000 0.218 513 L C 2.057 178.719 176.870 -0.346 0.000 1.130 513 L CA 0.727 55.380 54.840 -0.312 0.000 0.826 513 L CB -0.569 41.426 42.059 -0.107 0.000 0.941 513 L HN -0.169 nan 8.230 nan 0.000 0.451 514 S N -1.026 114.455 115.700 -0.364 0.000 2.605 514 S HA 0.088 4.559 4.470 0.002 0.000 0.217 514 S C 0.534 174.865 174.600 -0.449 0.000 0.958 514 S CA -0.046 57.950 58.200 -0.339 0.000 0.919 514 S CB -0.016 63.026 63.200 -0.262 0.000 0.780 514 S HN 0.270 nan 8.310 nan 0.000 0.507 515 Q N 2.279 121.722 119.800 -0.595 0.000 2.235 515 Q HA 0.293 4.634 4.340 0.002 0.000 0.250 515 Q C 0.608 176.253 176.000 -0.592 0.000 0.909 515 Q CA -0.198 55.226 55.803 -0.632 0.000 0.910 515 Q CB 0.807 29.107 28.738 -0.729 0.000 1.223 515 Q HN 0.423 nan 8.270 nan 0.000 0.432 516 T N -1.110 113.070 114.554 -0.623 0.000 2.734 516 T HA 0.093 4.444 4.350 0.002 0.000 0.314 516 T C -1.700 172.549 174.700 -0.751 0.000 1.057 516 T CA -1.005 60.674 62.100 -0.703 0.000 1.047 516 T CB 0.297 68.529 68.868 -1.060 0.000 0.991 516 T HN 0.245 nan 8.240 nan 0.000 0.540 517 P HA 0.008 nan 4.420 nan 0.000 0.217 517 P C 1.236 178.295 177.300 -0.401 0.000 1.150 517 P CA 0.930 63.782 63.100 -0.412 0.000 0.832 517 P CB -0.193 31.381 31.700 -0.210 0.000 0.787 518 F N -0.903 118.862 119.950 -0.308 0.000 2.512 518 F HA 0.172 4.700 4.527 0.001 0.000 0.296 518 F C 1.711 177.158 175.800 -0.588 0.000 1.110 518 F CA 0.450 58.205 58.000 -0.409 0.000 1.446 518 F CB -1.437 37.331 39.000 -0.387 0.000 1.092 518 F HN -0.117 nan 8.300 nan 0.000 0.554 519 E N 0.877 120.548 120.200 -0.883 0.000 2.072 519 E HA -0.196 4.155 4.350 0.002 0.000 0.191 519 E C 2.102 178.556 176.600 -0.242 0.000 0.985 519 E CA 1.487 57.601 56.400 -0.476 0.000 0.801 519 E CB -0.280 29.077 29.700 -0.571 0.000 0.750 519 E HN 0.633 nan 8.360 nan 0.000 0.452 520 Q N 0.350 119.932 119.800 -0.363 0.000 2.170 520 Q HA -0.156 4.185 4.340 0.002 0.000 0.203 520 Q C 2.213 178.273 176.000 0.099 0.000 0.976 520 Q CA 0.841 56.506 55.803 -0.230 0.000 0.858 520 Q CB -0.186 28.149 28.738 -0.671 0.000 0.907 520 Q HN 0.141 nan 8.270 nan 0.000 0.433 521 R N 0.458 120.970 120.500 0.020 0.000 2.083 521 R HA -0.178 4.163 4.340 0.002 0.000 0.237 521 R C 1.881 178.361 176.300 0.300 0.000 1.137 521 R CA 1.666 57.856 56.100 0.149 0.000 0.951 521 R CB -0.161 30.193 30.300 0.090 0.000 0.851 521 R HN 0.466 nan 8.270 nan 0.000 0.434 522 H N -0.523 118.659 119.070 0.186 0.000 2.353 522 H HA -0.113 4.444 4.556 0.002 0.000 0.300 522 H C 2.224 177.679 175.328 0.212 0.000 1.090 522 H CA 1.401 57.569 56.048 0.201 0.000 1.327 522 H CB -0.016 29.870 29.762 0.207 0.000 1.383 522 H HN 0.215 nan 8.280 nan 0.000 0.508 523 I N 0.082 120.880 120.570 0.381 0.000 2.179 523 I HA -0.265 3.906 4.170 0.002 0.000 0.242 523 I C 2.392 178.787 176.117 0.463 0.000 1.088 523 I CA 0.795 62.347 61.300 0.420 0.000 1.357 523 I CB -0.183 38.165 38.000 0.579 0.000 1.051 523 I HN 0.062 nan 8.210 nan 0.000 0.409 524 V N 0.665 120.831 119.914 0.421 0.000 2.332 524 V HA -0.330 3.791 4.120 0.002 0.000 0.248 524 V C 1.992 178.258 176.094 0.287 0.000 1.055 524 V CA 2.125 64.623 62.300 0.329 0.000 1.038 524 V CB -0.629 31.349 31.823 0.258 0.000 0.651 524 V HN 0.423 nan 8.190 nan 0.000 0.450 525 D N 0.116 120.676 120.400 0.266 0.000 2.224 525 D HA -0.056 4.585 4.640 0.002 0.000 0.205 525 D C 2.134 178.533 176.300 0.165 0.000 0.965 525 D CA 1.322 55.455 54.000 0.221 0.000 0.852 525 D CB -0.390 40.552 40.800 0.236 0.000 0.947 525 D HN 0.477 nan 8.370 nan 0.000 0.494 526 G N -0.037 108.838 108.800 0.125 0.000 2.414 526 G HA2 -0.234 3.726 3.960 0.002 0.000 0.215 526 G HA3 -0.234 3.726 3.960 0.002 0.000 0.215 526 G C 1.427 176.333 174.900 0.011 0.000 1.188 526 G CA 0.113 45.193 45.100 -0.033 0.000 0.783 526 G HN 0.180 nan 8.290 nan 0.000 0.537 527 F N 1.761 121.764 119.950 0.088 0.000 2.171 527 F HA -0.056 4.472 4.527 0.002 0.000 0.300 527 F C 3.114 178.866 175.800 -0.081 0.000 1.090 527 F CA 1.552 59.554 58.000 0.003 0.000 1.293 527 F CB -0.139 38.852 39.000 -0.015 0.000 1.013 527 F HN 0.083 nan 8.300 nan 0.000 0.486 528 S N -0.374 115.440 115.700 0.190 0.000 2.371 528 S HA -0.154 4.317 4.470 0.002 0.000 0.224 528 S C 1.839 176.478 174.600 0.066 0.000 1.029 528 S CA 0.821 59.078 58.200 0.096 0.000 0.978 528 S CB -0.646 62.626 63.200 0.120 0.000 0.833 528 S HN 0.356 nan 8.310 nan 0.000 0.466 529 F N 2.794 122.729 119.950 -0.025 0.000 2.075 529 F HA -0.114 4.413 4.527 0.001 0.000 0.297 529 F C 2.391 178.155 175.800 -0.060 0.000 1.113 529 F CA 1.531 59.509 58.000 -0.036 0.000 1.218 529 F CB -0.265 38.671 39.000 -0.106 0.000 0.984 529 F HN 0.113 nan 8.300 nan 0.000 0.472 530 E N -0.005 120.275 120.200 0.133 0.000 2.077 530 E HA -0.210 4.141 4.350 0.002 0.000 0.193 530 E C 2.163 178.651 176.600 -0.186 0.000 0.989 530 E CA 1.172 57.624 56.400 0.087 0.000 0.800 530 E CB -0.508 29.356 29.700 0.273 0.000 0.746 530 E HN 0.343 nan 8.360 nan 0.000 0.452 531 L N 1.165 122.178 121.223 -0.349 0.000 2.291 531 L HA -0.085 4.256 4.340 0.002 0.000 0.214 531 L C 2.496 179.218 176.870 -0.247 0.000 1.120 531 L CA 1.321 55.899 54.840 -0.437 0.000 0.799 531 L CB -0.580 41.233 42.059 -0.411 0.000 0.925 531 L HN 0.065 nan 8.230 nan 0.000 0.446 532 S N -1.570 114.006 115.700 -0.206 0.000 2.453 532 S HA -0.125 4.345 4.470 0.002 0.000 0.231 532 S C 1.775 176.278 174.600 -0.162 0.000 1.005 532 S CA 0.580 58.675 58.200 -0.175 0.000 0.949 532 S CB -0.282 62.800 63.200 -0.198 0.000 0.774 532 S HN 0.413 nan 8.310 nan 0.000 0.510 533 K N 0.894 121.190 120.400 -0.172 0.000 2.444 533 K HA 0.258 4.579 4.320 0.002 0.000 0.193 533 K C -0.423 176.181 176.600 0.007 0.000 1.024 533 K CA -0.061 56.177 56.287 -0.080 0.000 1.077 533 K CB 0.383 32.840 32.500 -0.073 0.000 0.833 533 K HN 0.254 nan 8.250 nan 0.000 0.517 534 V N 1.492 121.388 119.914 -0.031 0.000 2.498 534 V HA -0.010 4.111 4.120 0.002 0.000 0.279 534 V C 1.368 177.454 176.094 -0.014 0.000 1.048 534 V CA -0.043 62.258 62.300 0.001 0.000 0.967 534 V CB 1.659 33.441 31.823 -0.069 0.000 0.988 534 V HN -0.066 nan 8.190 nan 0.000 0.473 535 V N 4.666 124.590 119.914 0.017 0.000 2.599 535 V HA 0.056 4.177 4.120 0.002 0.000 0.245 535 V C 1.214 177.309 176.094 0.002 0.000 1.046 535 V CA 0.885 63.196 62.300 0.019 0.000 1.065 535 V CB -0.333 31.520 31.823 0.050 0.000 0.703 535 V HN 0.755 nan 8.190 nan 0.000 0.464 536 R N 1.195 121.680 120.500 -0.025 0.000 2.248 536 R HA 0.177 4.518 4.340 0.002 0.000 0.337 536 R C -1.766 174.458 176.300 -0.126 0.000 1.085 536 R CA -1.322 54.751 56.100 -0.045 0.000 0.934 536 R CB 0.551 30.778 30.300 -0.121 0.000 1.034 536 R HN 0.266 nan 8.270 nan 0.000 0.465 537 P HA -0.192 nan 4.420 nan 0.000 0.218 537 P C 0.719 178.005 177.300 -0.022 0.000 1.149 537 P CA 1.031 64.116 63.100 -0.026 0.000 0.817 537 P CB -0.006 31.708 31.700 0.023 0.000 0.785 538 Y N -0.963 119.335 120.300 -0.002 0.000 2.256 538 Y HA -0.127 4.423 4.550 0.001 0.000 0.288 538 Y C 1.924 177.827 175.900 0.004 0.000 1.155 538 Y CA 0.716 58.815 58.100 -0.001 0.000 1.203 538 Y CB -1.962 36.498 38.460 0.001 0.000 0.980 538 Y HN -0.094 nan 8.280 nan 0.000 0.530 539 I N 0.985 121.127 120.570 -0.714 0.000 2.315 539 I HA -0.236 3.935 4.170 0.002 0.000 0.248 539 I C 2.452 178.458 176.117 -0.186 0.000 1.117 539 I CA 1.385 62.408 61.300 -0.461 0.000 1.404 539 I CB -0.415 37.296 38.000 -0.482 0.000 1.071 539 I HN 0.242 nan 8.210 nan 0.000 0.419 540 R N 0.884 121.281 120.500 -0.171 0.000 2.092 540 R HA -0.136 4.205 4.340 0.002 0.000 0.231 540 R C 2.001 178.246 176.300 -0.092 0.000 1.119 540 R CA 1.194 57.208 56.100 -0.144 0.000 0.970 540 R CB -0.407 29.808 30.300 -0.140 0.000 0.864 540 R HN 0.463 nan 8.270 nan 0.000 0.440 541 E N 0.852 121.022 120.200 -0.051 0.000 2.047 541 E HA -0.144 4.207 4.350 0.002 0.000 0.191 541 E C 2.118 178.717 176.600 -0.001 0.000 0.987 541 E CA 0.931 57.321 56.400 -0.016 0.000 0.799 541 E CB -0.027 29.686 29.700 0.021 0.000 0.752 541 E HN 0.185 nan 8.360 nan 0.000 0.449 542 R N 0.178 120.689 120.500 0.018 0.000 2.117 542 R HA -0.141 4.200 4.340 0.002 0.000 0.243 542 R C 2.218 178.531 176.300 0.021 0.000 1.143 542 R CA 1.052 57.172 56.100 0.034 0.000 0.968 542 R CB -0.178 30.154 30.300 0.053 0.000 0.863 542 R HN 0.055 nan 8.270 nan 0.000 0.444 543 V N -0.576 119.341 119.914 0.004 0.000 2.591 543 V HA -0.131 3.990 4.120 0.002 0.000 0.249 543 V C 2.027 178.100 176.094 -0.035 0.000 1.053 543 V CA 1.157 63.473 62.300 0.028 0.000 1.068 543 V CB 0.062 31.911 31.823 0.043 0.000 0.689 543 V HN 0.123 nan 8.190 nan 0.000 0.462 544 V N 0.426 120.297 119.914 -0.071 0.000 2.427 544 V HA -0.269 3.852 4.120 0.002 0.000 0.248 544 V C 2.281 178.339 176.094 -0.059 0.000 1.051 544 V CA 2.322 64.560 62.300 -0.103 0.000 1.048 544 V CB -0.593 31.173 31.823 -0.095 0.000 0.666 544 V HN 0.616 nan 8.190 nan 0.000 0.456 545 D N -0.517 119.879 120.400 -0.007 0.000 2.116 545 D HA -0.217 4.423 4.640 0.002 0.000 0.193 545 D C 2.279 178.658 176.300 0.132 0.000 0.998 545 D CA 1.316 55.346 54.000 0.049 0.000 0.836 545 D CB -0.028 40.815 40.800 0.072 0.000 0.951 545 D HN 0.279 nan 8.370 nan 0.000 0.449 546 Q N -0.199 119.648 119.800 0.079 0.000 2.096 546 Q HA -0.117 4.224 4.340 0.002 0.000 0.204 546 Q C 2.549 178.585 176.000 0.060 0.000 0.982 546 Q CA 0.769 56.623 55.803 0.085 0.000 0.850 546 Q CB -0.420 28.378 28.738 0.099 0.000 0.901 546 Q HN 0.469 nan 8.270 nan 0.000 0.422 547 L N -0.168 121.026 121.223 -0.049 0.000 2.131 547 L HA -0.124 4.217 4.340 0.002 0.000 0.210 547 L C 2.291 179.056 176.870 -0.175 0.000 1.092 547 L CA 0.975 55.713 54.840 -0.169 0.000 0.759 547 L CB -0.648 41.212 42.059 -0.333 0.000 0.903 547 L HN 0.100 nan 8.230 nan 0.000 0.435 548 A N -0.761 121.980 122.820 -0.132 0.000 2.121 548 A HA -0.195 4.126 4.320 0.002 0.000 0.218 548 A C 1.679 179.112 177.584 -0.252 0.000 1.154 548 A CA 1.188 53.119 52.037 -0.177 0.000 0.679 548 A CB -0.708 18.197 19.000 -0.159 0.000 0.795 548 A HN 0.450 nan 8.150 nan 0.000 0.458 549 H N -1.289 117.592 119.070 -0.315 0.000 2.547 549 H HA 0.285 4.842 4.556 0.002 0.000 0.266 549 H C 1.487 176.543 175.328 -0.454 0.000 0.988 549 H CA 0.794 56.535 56.048 -0.511 0.000 1.147 549 H CB 0.049 29.164 29.762 -1.078 0.000 1.365 549 H HN 0.505 nan 8.280 nan 0.000 0.589 550 I N -1.200 119.264 120.570 -0.176 0.000 2.899 550 I HA 0.103 4.274 4.170 0.002 0.000 0.257 550 I C -0.180 175.871 176.117 -0.109 0.000 1.115 550 I CA 0.385 61.638 61.300 -0.078 0.000 1.451 550 I CB 0.771 38.751 38.000 -0.035 0.000 1.251 550 I HN 0.109 nan 8.210 nan 0.000 0.456 551 D N -0.931 119.351 120.400 -0.197 0.000 2.746 551 D HA 0.150 4.791 4.640 0.002 0.000 0.211 551 D C 0.096 176.275 176.300 -0.202 0.000 1.242 551 D CA -0.389 53.506 54.000 -0.176 0.000 0.790 551 D CB 1.130 41.790 40.800 -0.233 0.000 1.744 551 D HN -0.196 nan 8.370 nan 0.000 0.520 552 L N 2.583 123.737 121.223 -0.116 0.000 2.217 552 L HA 0.002 4.343 4.340 0.002 0.000 0.211 552 L C 1.768 178.590 176.870 -0.079 0.000 1.107 552 L CA 1.523 56.300 54.840 -0.104 0.000 0.783 552 L CB -0.971 41.046 42.059 -0.071 0.000 0.919 552 L HN 0.648 nan 8.230 nan 0.000 0.442 553 T N 0.113 114.654 114.554 -0.023 0.000 2.737 553 T HA -0.183 4.167 4.350 0.002 0.000 0.265 553 T C 1.995 176.685 174.700 -0.016 0.000 1.038 553 T CA 0.817 62.943 62.100 0.044 0.000 1.144 553 T CB -0.196 68.784 68.868 0.186 0.000 0.866 553 T HN 0.195 nan 8.240 nan 0.000 0.434 554 L N 0.915 122.019 121.223 -0.198 0.000 1.971 554 L HA -0.215 4.125 4.340 0.002 0.000 0.215 554 L C 2.869 179.547 176.870 -0.319 0.000 1.072 554 L CA 2.117 56.657 54.840 -0.501 0.000 0.758 554 L CB -0.896 40.515 42.059 -1.080 0.000 0.889 554 L HN 0.317 nan 8.230 nan 0.000 0.433 555 A N -0.577 122.070 122.820 -0.289 0.000 1.873 555 A HA -0.341 3.980 4.320 0.002 0.000 0.218 555 A C 2.031 179.530 177.584 -0.142 0.000 1.193 555 A CA 2.268 54.173 52.037 -0.220 0.000 0.629 555 A CB -0.790 18.100 19.000 -0.183 0.000 0.826 555 A HN 0.659 nan 8.150 nan 0.000 0.447 556 Q N -0.897 118.846 119.800 -0.095 0.000 2.135 556 Q HA -0.076 4.265 4.340 0.002 0.000 0.204 556 Q C 2.380 178.361 176.000 -0.032 0.000 0.981 556 Q CA 1.547 57.319 55.803 -0.052 0.000 0.856 556 Q CB -0.391 28.330 28.738 -0.027 0.000 0.902 556 Q HN 0.721 nan 8.270 nan 0.000 0.425 557 A N -0.096 122.710 122.820 -0.023 0.000 1.873 557 A HA -0.126 4.195 4.320 0.002 0.000 0.215 557 A C 2.289 179.876 177.584 0.005 0.000 1.186 557 A CA 1.320 53.366 52.037 0.015 0.000 0.616 557 A CB -0.702 18.333 19.000 0.058 0.000 0.823 557 A HN 0.212 nan 8.150 nan 0.000 0.442 558 V N 0.115 120.006 119.914 -0.039 0.000 2.295 558 V HA -0.259 3.862 4.120 0.002 0.000 0.246 558 V C 3.074 179.140 176.094 -0.047 0.000 1.049 558 V CA 1.974 64.248 62.300 -0.044 0.000 1.024 558 V CB -1.401 30.334 31.823 -0.146 0.000 0.648 558 V HN 0.609 nan 8.190 nan 0.000 0.447 559 A N -0.282 122.499 122.820 -0.065 0.000 1.917 559 A HA -0.318 4.003 4.320 0.002 0.000 0.219 559 A C 2.356 179.923 177.584 -0.028 0.000 1.182 559 A CA 2.435 54.440 52.037 -0.053 0.000 0.633 559 A CB -0.543 18.424 19.000 -0.055 0.000 0.819 559 A HN 0.544 nan 8.150 nan 0.000 0.448 560 K N -0.444 119.947 120.400 -0.015 0.000 2.026 560 K HA -0.175 4.146 4.320 0.002 0.000 0.208 560 K C 1.585 178.191 176.600 0.009 0.000 1.048 560 K CA 1.534 57.821 56.287 0.001 0.000 0.929 560 K CB -0.223 32.284 32.500 0.012 0.000 0.713 560 K HN 0.453 nan 8.250 nan 0.000 0.439 561 N N 0.772 119.482 118.700 0.016 0.000 2.364 561 N HA -0.138 4.602 4.740 0.002 0.000 0.183 561 N C 1.359 176.873 175.510 0.007 0.000 1.022 561 N CA 0.955 54.020 53.050 0.026 0.000 0.883 561 N CB 0.027 38.542 38.487 0.045 0.000 0.965 561 N HN 0.276 nan 8.380 nan 0.000 0.438 562 L N -0.786 120.431 121.223 -0.011 0.000 2.640 562 L HA 0.250 4.591 4.340 0.002 0.000 0.230 562 L C 0.925 177.784 176.870 -0.019 0.000 1.123 562 L CA -0.089 54.736 54.840 -0.025 0.000 0.900 562 L CB 0.010 42.041 42.059 -0.047 0.000 1.146 562 L HN 0.061 nan 8.230 nan 0.000 0.484 563 G N 1.570 110.364 108.800 -0.010 0.000 2.246 563 G HA2 -0.275 3.686 3.960 0.002 0.000 0.273 563 G HA3 -0.275 3.686 3.960 0.002 0.000 0.273 563 G C -0.074 174.819 174.900 -0.012 0.000 1.055 563 G CA 0.069 45.165 45.100 -0.007 0.000 0.851 563 G HN 0.305 nan 8.290 nan 0.000 0.500 564 I N -0.151 120.408 120.570 -0.018 0.000 2.530 564 I HA 0.434 4.605 4.170 0.002 0.000 0.297 564 I C 0.175 176.280 176.117 -0.020 0.000 1.011 564 I CA -0.857 60.431 61.300 -0.020 0.000 1.107 564 I CB 1.680 39.662 38.000 -0.031 0.000 1.285 564 I HN 0.054 nan 8.210 nan 0.000 0.436 565 E N 5.813 126.003 120.200 -0.017 0.000 2.191 565 E HA 0.493 4.844 4.350 0.002 0.000 0.274 565 E C -1.129 175.458 176.600 -0.022 0.000 0.948 565 E CA -0.801 55.589 56.400 -0.017 0.000 0.802 565 E CB 2.594 32.287 29.700 -0.012 0.000 1.137 565 E HN 0.392 nan 8.360 nan 0.000 0.397 566 L N 1.744 122.951 121.223 -0.028 0.000 2.326 566 L HA 0.219 4.560 4.340 0.002 0.000 0.278 566 L C 0.729 177.582 176.870 -0.029 0.000 1.092 566 L CA -0.358 54.462 54.840 -0.034 0.000 0.810 566 L CB 1.091 43.122 42.059 -0.047 0.000 1.153 566 L HN 0.406 nan 8.230 nan 0.000 0.439 567 T N 1.810 116.347 114.554 -0.028 0.000 2.888 567 T HA -0.042 4.309 4.350 0.002 0.000 0.301 567 T C 1.156 175.837 174.700 -0.031 0.000 1.001 567 T CA -0.394 61.691 62.100 -0.024 0.000 1.147 567 T CB 0.476 69.332 68.868 -0.020 0.000 0.931 567 T HN 0.760 nan 8.240 nan 0.000 0.541 568 D N 3.412 123.796 120.400 -0.026 0.000 2.220 568 D HA -0.213 4.428 4.640 0.002 0.000 0.198 568 D C 1.056 177.334 176.300 -0.036 0.000 1.001 568 D CA 1.513 55.495 54.000 -0.028 0.000 0.875 568 D CB -0.006 40.782 40.800 -0.021 0.000 0.921 568 D HN 0.609 nan 8.370 nan 0.000 0.454 569 D N 0.732 121.111 120.400 -0.035 0.000 2.117 569 D HA -0.140 4.501 4.640 0.002 0.000 0.198 569 D C 2.235 178.495 176.300 -0.067 0.000 0.982 569 D CA 0.786 54.760 54.000 -0.042 0.000 0.828 569 D CB -0.355 40.427 40.800 -0.030 0.000 0.967 569 D HN 0.402 nan 8.370 nan 0.000 0.464 570 Q N -0.010 119.749 119.800 -0.069 0.000 2.181 570 Q HA -0.098 4.243 4.340 0.002 0.000 0.205 570 Q C 1.968 177.902 176.000 -0.110 0.000 0.980 570 Q CA 0.593 56.335 55.803 -0.102 0.000 0.862 570 Q CB 0.094 28.785 28.738 -0.079 0.000 0.905 570 Q HN 0.170 nan 8.270 nan 0.000 0.429 571 L N 0.653 121.829 121.223 -0.078 0.000 2.465 571 L HA -0.071 4.270 4.340 0.002 0.000 0.224 571 L C 0.834 177.661 176.870 -0.072 0.000 1.145 571 L CA 1.267 56.065 54.840 -0.070 0.000 0.834 571 L CB -0.538 41.492 42.059 -0.049 0.000 0.944 571 L HN 0.271 nan 8.230 nan 0.000 0.451 572 N N -0.393 118.261 118.700 -0.077 0.000 2.275 572 N HA 0.214 4.955 4.740 0.002 0.000 0.236 572 N C 0.290 175.744 175.510 -0.094 0.000 1.154 572 N CA -0.031 52.977 53.050 -0.070 0.000 0.866 572 N CB 1.226 39.683 38.487 -0.051 0.000 1.093 572 N HN 0.222 nan 8.380 nan 0.000 0.515 573 I N 1.582 122.065 120.570 -0.145 0.000 2.496 573 I HA 0.009 4.179 4.170 0.002 0.000 0.285 573 I C 0.406 176.436 176.117 -0.146 0.000 1.080 573 I CA 0.124 61.303 61.300 -0.201 0.000 1.404 573 I CB 0.677 38.445 38.000 -0.386 0.000 1.403 573 I HN -0.107 nan 8.210 nan 0.000 0.539 574 T N 7.565 122.055 114.554 -0.108 0.000 2.814 574 T HA 0.203 4.554 4.350 0.002 0.000 0.297 574 T C -1.939 172.722 174.700 -0.065 0.000 0.956 574 T CA -1.044 61.017 62.100 -0.064 0.000 1.123 574 T CB 0.100 68.949 68.868 -0.032 0.000 0.902 574 T HN 0.446 nan 8.240 nan 0.000 0.528 575 P HA 0.165 nan 4.420 nan 0.000 0.268 575 P C -2.358 174.950 177.300 0.013 0.000 1.208 575 P CA -1.143 61.941 63.100 -0.027 0.000 0.777 575 P CB -0.267 31.428 31.700 -0.008 0.000 0.875 576 P HA 0.167 nan 4.420 nan 0.000 0.270 576 P C -2.212 175.134 177.300 0.076 0.000 1.223 576 P CA -1.060 62.095 63.100 0.093 0.000 0.785 576 P CB -0.908 30.887 31.700 0.159 0.000 0.923 577 P HA 0.082 nan 4.420 nan 0.000 0.271 577 P C -0.165 177.179 177.300 0.073 0.000 1.233 577 P CA 0.084 63.226 63.100 0.070 0.000 0.789 577 P CB 0.452 32.195 31.700 0.073 0.000 0.951 578 D N -0.441 119.996 120.400 0.061 0.000 2.369 578 D HA 0.122 4.763 4.640 0.002 0.000 0.241 578 D C -0.130 176.213 176.300 0.072 0.000 1.271 578 D CA 0.031 54.063 54.000 0.054 0.000 0.942 578 D CB 0.361 41.188 40.800 0.045 0.000 1.129 578 D HN 0.002 nan 8.370 nan 0.000 0.476 579 V N 1.708 121.653 119.914 0.052 0.000 2.311 579 V HA 0.091 4.212 4.120 0.002 0.000 0.275 579 V C 0.032 176.209 176.094 0.138 0.000 1.022 579 V CA -0.636 61.721 62.300 0.095 0.000 0.830 579 V CB 0.103 31.889 31.823 -0.063 0.000 1.012 579 V HN 0.552 nan 8.190 nan 0.000 0.452 580 N N 4.177 122.983 118.700 0.176 0.000 2.708 580 N HA -0.225 4.516 4.740 0.002 0.000 0.251 580 N C 1.181 176.747 175.510 0.092 0.000 1.017 580 N CA 1.183 54.319 53.050 0.144 0.000 0.742 580 N CB -0.866 37.744 38.487 0.206 0.000 0.943 580 N HN 1.365 nan 8.380 nan 0.000 0.539 581 G N -2.419 106.423 108.800 0.071 0.000 2.155 581 G HA2 -0.318 3.643 3.960 0.002 0.000 0.257 581 G HA3 -0.318 3.643 3.960 0.002 0.000 0.257 581 G C -0.053 174.871 174.900 0.041 0.000 0.983 581 G CA 0.277 45.406 45.100 0.048 0.000 0.676 581 G HN 0.410 nan 8.290 nan 0.000 0.528 582 L N -0.471 120.779 121.223 0.045 0.000 2.312 582 L HA 0.770 5.111 4.340 0.002 0.000 0.281 582 L C 1.177 178.054 176.870 0.011 0.000 1.070 582 L CA -0.111 54.747 54.840 0.029 0.000 0.805 582 L CB 1.633 43.713 42.059 0.034 0.000 1.174 582 L HN 0.050 nan 8.230 nan 0.000 0.434 583 K N 2.381 122.781 120.400 0.001 0.000 2.348 583 K HA 0.211 4.532 4.320 0.002 0.000 0.194 583 K C -0.720 175.864 176.600 -0.028 0.000 1.052 583 K CA 0.470 56.752 56.287 -0.008 0.000 1.004 583 K CB 0.361 32.856 32.500 -0.008 0.000 0.873 583 K HN 0.670 nan 8.250 nan 0.000 0.523 584 K N -1.275 119.104 120.400 -0.036 0.000 2.610 584 K HA 0.294 4.614 4.320 0.002 0.000 0.278 584 K C -1.959 174.616 176.600 -0.043 0.000 0.964 584 K CA -1.011 55.239 56.287 -0.061 0.000 0.859 584 K CB 1.287 33.733 32.500 -0.089 0.000 1.434 584 K HN -0.220 nan 8.250 nan 0.000 0.410 585 D N 1.895 122.268 120.400 -0.045 0.000 2.696 585 D HA 0.353 4.994 4.640 0.002 0.000 0.251 585 D C -2.178 174.104 176.300 -0.030 0.000 1.188 585 D CA -2.276 51.716 54.000 -0.014 0.000 0.876 585 D CB 2.365 43.176 40.800 0.018 0.000 1.334 585 D HN 0.291 nan 8.370 nan 0.000 0.540 586 P HA -0.002 nan 4.420 nan 0.000 0.241 586 P C 1.113 178.410 177.300 -0.005 0.000 1.191 586 P CA 0.437 63.511 63.100 -0.042 0.000 0.771 586 P CB 0.194 31.875 31.700 -0.032 0.000 0.929 587 S N -0.411 115.315 115.700 0.044 0.000 2.474 587 S HA -0.055 4.416 4.470 0.002 0.000 0.235 587 S C 1.623 176.312 174.600 0.148 0.000 0.997 587 S CA 0.798 59.059 58.200 0.102 0.000 0.949 587 S CB -1.376 61.903 63.200 0.131 0.000 0.766 587 S HN 0.157 nan 8.310 nan 0.000 0.517 588 L N 1.453 122.736 121.223 0.100 0.000 2.558 588 L HA 0.238 4.579 4.340 0.002 0.000 0.225 588 L C 1.366 178.187 176.870 -0.081 0.000 1.128 588 L CA 0.080 54.986 54.840 0.110 0.000 0.868 588 L CB -0.429 41.680 42.059 0.083 0.000 1.006 588 L HN 0.346 nan 8.230 nan 0.000 0.454 589 S N -0.450 115.177 115.700 -0.120 0.000 2.617 589 S HA 0.401 4.872 4.470 0.002 0.000 0.283 589 S C 0.887 175.397 174.600 -0.150 0.000 1.189 589 S CA -0.676 57.396 58.200 -0.214 0.000 1.036 589 S CB 1.864 64.917 63.200 -0.245 0.000 1.014 589 S HN 0.154 nan 8.310 nan 0.000 0.522 590 L N 2.087 123.131 121.223 -0.299 0.000 2.162 590 L HA 0.100 4.440 4.340 0.002 0.000 0.205 590 L C 1.125 177.777 176.870 -0.364 0.000 1.086 590 L CA 0.883 55.463 54.840 -0.433 0.000 0.778 590 L CB -0.264 41.252 42.059 -0.905 0.000 0.928 590 L HN 0.745 nan 8.230 nan 0.000 0.446 591 Y N -1.680 118.632 120.300 0.019 0.000 2.483 591 Y HA 0.307 4.858 4.550 0.002 0.000 0.258 591 Y C 2.315 178.243 175.900 0.047 0.000 1.083 591 Y CA -0.238 57.912 58.100 0.084 0.000 1.283 591 Y CB -0.780 37.761 38.460 0.135 0.000 1.178 591 Y HN -0.015 nan 8.280 nan 0.000 0.515 592 A N 0.899 123.754 122.820 0.059 0.000 1.884 592 A HA -0.160 4.161 4.320 0.002 0.000 0.219 592 A C 0.952 178.573 177.584 0.062 0.000 1.197 592 A CA 1.396 53.443 52.037 0.017 0.000 0.637 592 A CB -0.828 18.132 19.000 -0.068 0.000 0.827 592 A HN 0.160 nan 8.150 nan 0.000 0.450 593 I N 1.172 121.783 120.570 0.068 0.000 2.307 593 I HA 0.280 4.451 4.170 0.002 0.000 0.289 593 I C -2.406 173.778 176.117 0.113 0.000 1.021 593 I CA -2.791 58.555 61.300 0.076 0.000 1.224 593 I CB 0.585 38.623 38.000 0.063 0.000 1.376 593 I HN 0.172 nan 8.210 nan 0.000 0.470 594 P HA 0.328 nan 4.420 nan 0.000 0.279 594 P C -1.248 176.129 177.300 0.128 0.000 1.239 594 P CA -0.156 63.040 63.100 0.159 0.000 0.789 594 P CB 1.312 33.111 31.700 0.165 0.000 0.933 595 D N 0.534 121.017 120.400 0.138 0.000 2.990 595 D HA 0.547 5.187 4.640 0.002 0.000 0.227 595 D C -0.846 175.522 176.300 0.114 0.000 1.249 595 D CA -0.663 53.403 54.000 0.110 0.000 0.891 595 D CB 1.666 42.527 40.800 0.101 0.000 1.647 595 D HN 0.485 nan 8.370 nan 0.000 0.530 596 G N 1.253 110.108 108.800 0.092 0.000 2.734 596 G HA2 0.454 4.415 3.960 0.002 0.000 0.293 596 G HA3 0.454 4.415 3.960 0.002 0.000 0.293 596 G C -1.192 173.745 174.900 0.062 0.000 1.422 596 G CA -1.037 44.117 45.100 0.090 0.000 1.177 596 G HN 0.600 nan 8.290 nan 0.000 0.565 597 D N 1.693 122.124 120.400 0.052 0.000 2.348 597 D HA 0.047 4.688 4.640 0.002 0.000 0.253 597 D C 0.632 176.951 176.300 0.033 0.000 1.161 597 D CA -0.501 53.517 54.000 0.030 0.000 0.876 597 D CB 2.472 43.283 40.800 0.019 0.000 1.160 597 D HN 0.052 nan 8.370 nan 0.000 0.459 598 V N 2.084 122.007 119.914 0.016 0.000 3.590 598 V HA -0.026 4.095 4.120 0.002 0.000 0.265 598 V C 1.120 177.204 176.094 -0.018 0.000 1.239 598 V CA 0.220 62.525 62.300 0.007 0.000 1.117 598 V CB -0.407 31.415 31.823 -0.002 0.000 0.818 598 V HN 0.547 nan 8.190 nan 0.000 0.451 599 K N 0.170 120.554 120.400 -0.026 0.000 2.322 599 K HA 0.402 4.723 4.320 0.002 0.000 0.283 599 K C 1.035 177.610 176.600 -0.042 0.000 1.042 599 K CA 0.841 57.093 56.287 -0.057 0.000 0.958 599 K CB 0.611 33.081 32.500 -0.050 0.000 0.984 599 K HN 0.339 nan 8.250 nan 0.000 0.473 600 G N 3.093 111.846 108.800 -0.078 0.000 2.176 600 G HA2 -0.209 3.751 3.960 0.002 0.000 0.253 600 G HA3 -0.209 3.751 3.960 0.002 0.000 0.253 600 G C 0.143 175.093 174.900 0.083 0.000 0.979 600 G CA -0.208 44.913 45.100 0.035 0.000 0.641 600 G HN 0.562 nan 8.290 nan 0.000 0.530 601 R N -0.506 120.011 120.500 0.028 0.000 2.652 601 R HA 0.706 5.047 4.340 0.002 0.000 0.272 601 R C 0.140 176.494 176.300 0.090 0.000 1.162 601 R CA -0.172 55.969 56.100 0.068 0.000 1.199 601 R CB 0.660 30.989 30.300 0.048 0.000 1.166 601 R HN 0.358 nan 8.270 nan 0.000 0.597 602 V N 0.438 120.416 119.914 0.107 0.000 2.808 602 V HA 0.364 4.485 4.120 0.002 0.000 0.308 602 V C -0.487 175.665 176.094 0.097 0.000 1.099 602 V CA -0.847 61.532 62.300 0.131 0.000 0.920 602 V CB 2.450 34.366 31.823 0.155 0.000 1.014 602 V HN 0.357 nan 8.190 nan 0.000 0.425 603 V N 2.646 122.612 119.914 0.088 0.000 2.680 603 V HA 0.849 4.970 4.120 0.002 0.000 0.309 603 V C 0.241 176.386 176.094 0.085 0.000 1.052 603 V CA -0.535 61.807 62.300 0.070 0.000 0.908 603 V CB 2.105 33.954 31.823 0.043 0.000 1.001 603 V HN 1.057 nan 8.190 nan 0.000 0.431 604 A N 5.441 128.316 122.820 0.092 0.000 2.290 604 A HA 0.836 5.157 4.320 0.002 0.000 0.310 604 A C -0.666 176.931 177.584 0.021 0.000 1.202 604 A CA -0.373 51.710 52.037 0.077 0.000 0.837 604 A CB 0.307 19.379 19.000 0.120 0.000 1.139 604 A HN 0.748 nan 8.150 nan 0.000 0.509 605 I N 2.917 123.496 120.570 0.014 0.000 2.355 605 I HA 0.192 4.363 4.170 0.002 0.000 0.288 605 I C -0.994 175.125 176.117 0.002 0.000 0.999 605 I CA -0.607 60.700 61.300 0.011 0.000 1.163 605 I CB 1.573 39.592 38.000 0.031 0.000 1.316 605 I HN 0.407 nan 8.210 nan 0.000 0.454 606 L N 7.652 128.863 121.223 -0.020 0.000 2.295 606 L HA 0.250 4.590 4.340 0.002 0.000 0.288 606 L C -0.025 176.916 176.870 0.118 0.000 1.079 606 L CA 0.009 54.875 54.840 0.043 0.000 0.830 606 L CB 0.150 42.126 42.059 -0.138 0.000 1.200 606 L HN 0.382 nan 8.230 nan 0.000 0.438 607 L N 3.877 125.201 121.223 0.169 0.000 2.468 607 L HA 0.421 4.762 4.340 0.002 0.000 0.254 607 L C 0.325 177.295 176.870 0.166 0.000 1.171 607 L CA 0.017 54.902 54.840 0.074 0.000 0.809 607 L CB 0.771 42.782 42.059 -0.081 0.000 1.155 607 L HN 0.869 nan 8.230 nan 0.000 0.473 608 N N -2.310 116.392 118.700 0.003 0.000 2.972 608 N HA 0.305 5.046 4.740 0.002 0.000 0.262 608 N C -0.335 175.080 175.510 -0.158 0.000 1.478 608 N CA -0.510 52.598 53.050 0.096 0.000 0.841 608 N CB 0.416 38.999 38.487 0.160 0.000 1.512 608 N HN 0.424 nan 8.380 nan 0.000 0.548 609 D N -1.535 118.835 120.400 -0.048 0.000 2.347 609 D HA -0.053 4.588 4.640 0.002 0.000 0.215 609 D C -0.442 175.822 176.300 -0.059 0.000 0.976 609 D CA 1.042 54.987 54.000 -0.092 0.000 0.884 609 D CB -0.072 40.740 40.800 0.021 0.000 0.915 609 D HN 0.528 nan 8.370 nan 0.000 0.526 610 E N 0.806 120.988 120.200 -0.030 0.000 3.374 610 E HA 0.194 4.545 4.350 0.002 0.000 0.223 610 E C -1.053 175.531 176.600 -0.028 0.000 1.210 610 E CA -0.505 55.878 56.400 -0.027 0.000 0.987 610 E CB 1.615 31.309 29.700 -0.011 0.000 1.322 610 E HN 0.040 nan 8.360 nan 0.000 0.404 611 V N 1.960 121.847 119.914 -0.044 0.000 2.614 611 V HA 0.196 4.317 4.120 0.002 0.000 0.291 611 V C 0.541 176.617 176.094 -0.031 0.000 1.049 611 V CA -0.385 61.896 62.300 -0.032 0.000 1.038 611 V CB 0.974 32.772 31.823 -0.043 0.000 0.980 611 V HN 0.472 nan 8.190 nan 0.000 0.481 612 R N 4.625 125.110 120.500 -0.027 0.000 2.402 612 R HA 0.082 4.423 4.340 0.002 0.000 0.331 612 R C 1.221 177.500 176.300 -0.035 0.000 1.040 612 R CA 0.567 56.648 56.100 -0.032 0.000 0.980 612 R CB 0.364 30.642 30.300 -0.036 0.000 0.967 612 R HN 0.967 nan 8.270 nan 0.000 0.440 613 S N 3.661 119.341 115.700 -0.033 0.000 2.419 613 S HA -0.208 4.263 4.470 0.002 0.000 0.233 613 S C 1.964 176.544 174.600 -0.034 0.000 1.016 613 S CA 0.989 59.170 58.200 -0.031 0.000 0.974 613 S CB -0.071 63.113 63.200 -0.026 0.000 0.786 613 S HN 0.779 nan 8.310 nan 0.000 0.492 614 A N 2.639 125.435 122.820 -0.039 0.000 1.865 614 A HA -0.221 4.100 4.320 0.002 0.000 0.217 614 A C 1.913 179.460 177.584 -0.060 0.000 1.191 614 A CA 1.946 53.956 52.037 -0.046 0.000 0.623 614 A CB -0.923 18.046 19.000 -0.051 0.000 0.826 614 A HN 0.362 nan 8.150 nan 0.000 0.444 615 D N -0.192 120.162 120.400 -0.077 0.000 2.087 615 D HA -0.149 4.492 4.640 0.002 0.000 0.192 615 D C 1.935 178.199 176.300 -0.060 0.000 0.993 615 D CA 1.039 54.977 54.000 -0.103 0.000 0.828 615 D CB -0.486 40.249 40.800 -0.109 0.000 0.968 615 D HN 0.292 nan 8.370 nan 0.000 0.448 616 L N 1.020 122.220 121.223 -0.037 0.000 2.042 616 L HA -0.132 4.209 4.340 0.002 0.000 0.210 616 L C 2.182 179.046 176.870 -0.010 0.000 1.076 616 L CA 1.055 55.886 54.840 -0.016 0.000 0.749 616 L CB -0.344 41.704 42.059 -0.017 0.000 0.893 616 L HN 0.206 nan 8.230 nan 0.000 0.432 617 L N -1.755 119.459 121.223 -0.016 0.000 2.240 617 L HA 0.006 4.347 4.340 0.002 0.000 0.211 617 L C 2.402 179.270 176.870 -0.005 0.000 1.106 617 L CA 1.803 56.638 54.840 -0.009 0.000 0.793 617 L CB -1.751 40.301 42.059 -0.012 0.000 0.927 617 L HN 0.093 nan 8.230 nan 0.000 0.446 618 A N 1.160 123.973 122.820 -0.012 0.000 1.873 618 A HA -0.091 4.230 4.320 0.002 0.000 0.215 618 A C 2.312 179.909 177.584 0.022 0.000 1.186 618 A CA 1.755 53.790 52.037 -0.004 0.000 0.616 618 A CB -0.656 18.328 19.000 -0.026 0.000 0.823 618 A HN 0.448 nan 8.150 nan 0.000 0.442 619 I N -0.187 120.400 120.570 0.029 0.000 2.127 619 I HA -0.291 3.880 4.170 0.002 0.000 0.241 619 I C 2.321 178.465 176.117 0.045 0.000 1.075 619 I CA 1.427 62.767 61.300 0.066 0.000 1.334 619 I CB -0.306 37.739 38.000 0.075 0.000 1.040 619 I HN 0.283 nan 8.210 nan 0.000 0.405 620 L N -0.057 121.183 121.223 0.028 0.000 2.217 620 L HA -0.141 4.200 4.340 0.002 0.000 0.211 620 L C 2.526 179.406 176.870 0.016 0.000 1.107 620 L CA 0.928 55.782 54.840 0.023 0.000 0.783 620 L CB -0.554 41.516 42.059 0.018 0.000 0.919 620 L HN 0.176 nan 8.230 nan 0.000 0.442 621 K N 0.437 120.845 120.400 0.014 0.000 2.025 621 K HA -0.116 4.205 4.320 0.002 0.000 0.207 621 K C 2.284 178.890 176.600 0.010 0.000 1.049 621 K CA 1.366 57.659 56.287 0.010 0.000 0.933 621 K CB -0.205 32.300 32.500 0.008 0.000 0.714 621 K HN 0.262 nan 8.250 nan 0.000 0.438 622 A N 1.855 124.686 122.820 0.019 0.000 1.883 622 A HA -0.170 4.151 4.320 0.002 0.000 0.217 622 A C 2.232 179.820 177.584 0.006 0.000 1.186 622 A CA 1.388 53.437 52.037 0.020 0.000 0.624 622 A CB -0.761 18.264 19.000 0.042 0.000 0.822 622 A HN 0.168 nan 8.150 nan 0.000 0.444 623 L N -0.820 120.407 121.223 0.005 0.000 2.017 623 L HA -0.212 4.129 4.340 0.002 0.000 0.208 623 L C 2.700 179.549 176.870 -0.036 0.000 1.073 623 L CA 2.014 56.845 54.840 -0.015 0.000 0.745 623 L CB -0.532 41.524 42.059 -0.005 0.000 0.894 623 L HN 0.455 nan 8.230 nan 0.000 0.432 624 K N 0.367 120.754 120.400 -0.022 0.000 2.057 624 K HA -0.192 4.129 4.320 0.002 0.000 0.207 624 K C 2.142 178.724 176.600 -0.030 0.000 1.049 624 K CA 1.361 57.632 56.287 -0.027 0.000 0.931 624 K CB -0.076 32.420 32.500 -0.006 0.000 0.714 624 K HN 0.278 nan 8.250 nan 0.000 0.440 625 A N 1.355 124.164 122.820 -0.019 0.000 1.940 625 A HA -0.141 4.180 4.320 0.002 0.000 0.219 625 A C 1.801 179.370 177.584 -0.025 0.000 1.176 625 A CA 1.437 53.464 52.037 -0.016 0.000 0.631 625 A CB -0.193 18.803 19.000 -0.007 0.000 0.814 625 A HN 0.159 nan 8.150 nan 0.000 0.446 626 K N -1.716 118.664 120.400 -0.033 0.000 2.400 626 K HA 0.143 4.463 4.320 0.002 0.000 0.194 626 K C 1.079 177.638 176.600 -0.068 0.000 1.033 626 K CA 0.796 57.059 56.287 -0.041 0.000 1.021 626 K CB 0.014 32.493 32.500 -0.035 0.000 0.808 626 K HN 0.827 nan 8.250 nan 0.000 0.505 627 G N 1.194 109.933 108.800 -0.101 0.000 2.130 627 G HA2 -0.202 3.759 3.960 0.002 0.000 0.216 627 G HA3 -0.202 3.759 3.960 0.002 0.000 0.216 627 G C -0.061 174.658 174.900 -0.301 0.000 0.999 627 G CA 0.055 45.057 45.100 -0.164 0.000 0.686 627 G HN 0.070 nan 8.290 nan 0.000 0.515 628 V N 2.128 121.886 119.914 -0.260 0.000 2.481 628 V HA 0.534 4.655 4.120 0.002 0.000 0.286 628 V C 0.399 176.292 176.094 -0.335 0.000 1.042 628 V CA -1.119 61.022 62.300 -0.266 0.000 0.928 628 V CB 1.486 33.247 31.823 -0.102 0.000 0.986 628 V HN 0.334 nan 8.190 nan 0.000 0.462 629 H N 2.554 121.633 119.070 0.014 0.000 2.473 629 H HA 0.671 5.228 4.556 0.002 0.000 0.327 629 H C 0.166 175.510 175.328 0.027 0.000 1.105 629 H CA -0.163 55.895 56.048 0.018 0.000 1.280 629 H CB 1.869 31.642 29.762 0.018 0.000 1.450 629 H HN 0.798 nan 8.280 nan 0.000 0.492 630 A N 3.135 126.042 122.820 0.144 0.000 2.312 630 A HA 0.464 4.785 4.320 0.002 0.000 0.328 630 A C -0.066 177.572 177.584 0.091 0.000 1.158 630 A CA -0.717 51.377 52.037 0.095 0.000 0.821 630 A CB 0.848 19.887 19.000 0.065 0.000 1.170 630 A HN 0.663 nan 8.150 nan 0.000 0.490 631 K N 1.917 122.365 120.400 0.079 0.000 2.394 631 K HA 0.450 4.771 4.320 0.002 0.000 0.260 631 K C -1.347 175.283 176.600 0.051 0.000 0.967 631 K CA -0.199 56.128 56.287 0.068 0.000 0.855 631 K CB 1.406 33.958 32.500 0.086 0.000 1.101 631 K HN 0.641 nan 8.250 nan 0.000 0.433 632 L N 5.013 126.258 121.223 0.036 0.000 2.278 632 L HA 0.309 4.650 4.340 0.002 0.000 0.287 632 L C -0.552 176.335 176.870 0.027 0.000 1.072 632 L CA -0.719 54.135 54.840 0.024 0.000 0.819 632 L CB 0.097 42.159 42.059 0.006 0.000 1.176 632 L HN 0.285 nan 8.230 nan 0.000 0.435 633 L N 4.455 125.704 121.223 0.043 0.000 2.346 633 L HA 0.566 4.907 4.340 0.002 0.000 0.276 633 L C -0.569 176.331 176.870 0.049 0.000 1.006 633 L CA -0.127 54.737 54.840 0.041 0.000 0.817 633 L CB 1.582 43.676 42.059 0.058 0.000 1.272 633 L HN 0.318 nan 8.230 nan 0.000 0.421 634 Y N 0.071 120.138 120.300 -0.388 0.000 2.876 634 Y HA 0.346 4.897 4.550 0.001 0.000 0.317 634 Y C 1.014 176.242 175.900 -1.121 0.000 1.369 634 Y CA -0.817 56.900 58.100 -0.638 0.000 1.101 634 Y CB 1.687 39.986 38.460 -0.268 0.000 1.346 634 Y HN 0.571 nan 8.280 nan 0.000 0.505 635 S N 0.610 115.415 115.700 -1.492 0.000 2.603 635 S HA 0.270 4.741 4.470 0.002 0.000 0.220 635 S C 0.424 174.693 174.600 -0.552 0.000 0.967 635 S CA 0.024 57.617 58.200 -1.012 0.000 0.920 635 S CB 0.163 62.886 63.200 -0.794 0.000 0.773 635 S HN 0.517 nan 8.310 nan 0.000 0.529 636 R N -0.310 119.953 120.500 -0.395 0.000 2.710 636 R HA 0.447 4.788 4.340 0.002 0.000 0.270 636 R C -1.277 175.004 176.300 -0.032 0.000 1.021 636 R CA -0.758 55.254 56.100 -0.148 0.000 0.889 636 R CB 1.012 31.257 30.300 -0.092 0.000 1.243 636 R HN 0.073 nan 8.270 nan 0.000 0.464 637 M N 0.702 120.292 119.600 -0.017 0.000 2.336 637 M HA 0.483 4.964 4.480 0.002 0.000 0.256 637 M C 1.077 177.393 176.300 0.027 0.000 1.176 637 M CA 0.801 56.103 55.300 0.004 0.000 0.948 637 M CB 0.393 32.989 32.600 -0.008 0.000 1.393 637 M HN 0.952 nan 8.290 nan 0.000 0.528 638 G N 0.629 109.439 108.800 0.017 0.000 2.594 638 G HA2 -0.083 3.878 3.960 0.002 0.000 0.217 638 G HA3 -0.083 3.878 3.960 0.002 0.000 0.217 638 G C -0.908 173.995 174.900 0.004 0.000 1.163 638 G CA 0.005 45.113 45.100 0.013 0.000 1.074 638 G HN 0.959 nan 8.290 nan 0.000 0.589 639 E N -0.700 119.497 120.200 -0.004 0.000 2.390 639 E HA 0.621 4.972 4.350 0.002 0.000 0.277 639 E C -0.189 176.372 176.600 -0.064 0.000 0.939 639 E CA -0.371 56.009 56.400 -0.033 0.000 0.769 639 E CB 2.149 31.831 29.700 -0.029 0.000 1.251 639 E HN 1.702 nan 8.360 nan 0.000 0.450 640 V N -0.817 119.020 119.914 -0.130 0.000 3.267 640 V HA 0.786 4.907 4.120 0.002 0.000 0.317 640 V C -0.265 175.764 176.094 -0.108 0.000 1.131 640 V CA -0.508 61.695 62.300 -0.163 0.000 1.031 640 V CB 1.576 33.188 31.823 -0.352 0.000 1.159 640 V HN 0.748 nan 8.190 nan 0.000 0.454 641 T N 1.543 116.041 114.554 -0.093 0.000 2.841 641 T HA 0.774 5.125 4.350 0.002 0.000 0.285 641 T C 0.086 174.749 174.700 -0.063 0.000 0.991 641 T CA 0.253 62.315 62.100 -0.062 0.000 0.966 641 T CB 1.232 70.075 68.868 -0.042 0.000 0.962 641 T HN 1.329 nan 8.240 nan 0.000 0.438 642 A N 2.171 124.959 122.820 -0.054 0.000 2.366 642 A HA 0.309 4.629 4.320 0.002 0.000 0.250 642 A C 1.583 179.145 177.584 -0.036 0.000 1.099 642 A CA -0.136 51.873 52.037 -0.047 0.000 0.794 642 A CB 0.033 19.009 19.000 -0.039 0.000 1.056 642 A HN 0.933 nan 8.150 nan 0.000 0.499 643 D N -0.178 120.203 120.400 -0.031 0.000 2.311 643 D HA -0.177 4.464 4.640 0.002 0.000 0.212 643 D C 0.529 176.816 176.300 -0.021 0.000 0.972 643 D CA 1.460 55.446 54.000 -0.024 0.000 0.887 643 D CB -0.209 40.577 40.800 -0.023 0.000 0.915 643 D HN 0.593 nan 8.370 nan 0.000 0.497 644 D N -1.340 119.047 120.400 -0.022 0.000 2.368 644 D HA 0.192 4.833 4.640 0.002 0.000 0.218 644 D C 1.538 177.827 176.300 -0.018 0.000 1.112 644 D CA 0.272 54.261 54.000 -0.019 0.000 0.834 644 D CB -0.283 40.506 40.800 -0.018 0.000 0.953 644 D HN 0.310 nan 8.370 nan 0.000 0.505 645 G N 0.127 108.915 108.800 -0.021 0.000 2.143 645 G HA2 -0.263 3.697 3.960 0.002 0.000 0.249 645 G HA3 -0.263 3.697 3.960 0.002 0.000 0.249 645 G C 0.318 175.206 174.900 -0.021 0.000 0.981 645 G CA 0.348 45.437 45.100 -0.020 0.000 0.665 645 G HN 0.435 nan 8.290 nan 0.000 0.528 646 T N 0.468 115.008 114.554 -0.024 0.000 2.907 646 T HA 0.452 4.802 4.350 0.002 0.000 0.298 646 T C 0.587 175.270 174.700 -0.029 0.000 1.017 646 T CA -0.123 61.963 62.100 -0.024 0.000 1.118 646 T CB 2.306 71.160 68.868 -0.023 0.000 0.948 646 T HN 0.342 nan 8.240 nan 0.000 0.531 647 V N 4.994 124.893 119.914 -0.026 0.000 2.407 647 V HA 0.292 4.412 4.120 0.002 0.000 0.278 647 V C -0.504 175.570 176.094 -0.032 0.000 1.037 647 V CA -0.737 61.544 62.300 -0.031 0.000 0.900 647 V CB 1.080 32.889 31.823 -0.022 0.000 0.983 647 V HN 0.557 nan 8.190 nan 0.000 0.459 648 L N 8.575 129.770 121.223 -0.047 0.000 2.294 648 L HA 0.492 4.833 4.340 0.002 0.000 0.283 648 L C -2.209 174.633 176.870 -0.046 0.000 1.015 648 L CA -2.583 52.229 54.840 -0.046 0.000 0.831 648 L CB 1.489 43.510 42.059 -0.063 0.000 1.217 648 L HN 0.419 nan 8.230 nan 0.000 0.420 649 P HA 0.194 nan 4.420 nan 0.000 0.276 649 P C -0.152 177.138 177.300 -0.017 0.000 1.243 649 P CA -0.181 62.907 63.100 -0.019 0.000 0.768 649 P CB 1.070 32.765 31.700 -0.009 0.000 0.856 650 I N 2.848 123.411 120.570 -0.013 0.000 2.441 650 I HA 0.128 4.299 4.170 0.002 0.000 0.287 650 I C 1.659 177.779 176.117 0.004 0.000 1.049 650 I CA -0.184 61.114 61.300 -0.003 0.000 1.381 650 I CB 1.183 39.194 38.000 0.018 0.000 1.409 650 I HN 0.386 nan 8.210 nan 0.000 0.523 651 A N 5.256 128.082 122.820 0.010 0.000 1.911 651 A HA 0.607 4.928 4.320 0.002 0.000 0.212 651 A C 0.959 178.553 177.584 0.017 0.000 1.189 651 A CA 1.112 53.158 52.037 0.016 0.000 0.639 651 A CB 0.049 19.065 19.000 0.027 0.000 0.839 651 A HN 0.771 nan 8.150 nan 0.000 0.449 652 A N -1.758 121.070 122.820 0.015 0.000 2.588 652 A HA 0.634 4.955 4.320 0.002 0.000 0.290 652 A C 0.034 177.599 177.584 -0.032 0.000 1.136 652 A CA 0.165 52.209 52.037 0.012 0.000 0.681 652 A CB 0.022 19.052 19.000 0.051 0.000 1.282 652 A HN 0.668 nan 8.150 nan 0.000 0.421 653 T N -2.242 112.284 114.554 -0.047 0.000 2.884 653 T HA 0.568 4.919 4.350 0.002 0.000 0.277 653 T C 0.526 175.210 174.700 -0.026 0.000 0.976 653 T CA -0.138 61.865 62.100 -0.162 0.000 0.956 653 T CB 0.082 68.858 68.868 -0.154 0.000 1.113 653 T HN 0.392 nan 8.240 nan 0.000 0.554 654 F N 0.224 120.201 119.950 0.045 0.000 2.234 654 F HA 0.205 4.733 4.527 0.001 0.000 0.299 654 F C 2.762 178.701 175.800 0.232 0.000 1.087 654 F CA 0.627 58.706 58.000 0.131 0.000 1.340 654 F CB -1.307 37.752 39.000 0.100 0.000 1.031 654 F HN 0.722 nan 8.300 nan 0.000 0.500 655 A N -0.038 122.949 122.820 0.278 0.000 2.072 655 A HA 0.234 4.554 4.320 0.002 0.000 0.216 655 A C 2.508 180.164 177.584 0.119 0.000 1.156 655 A CA 1.098 53.242 52.037 0.178 0.000 0.701 655 A CB -1.287 17.776 19.000 0.104 0.000 0.816 655 A HN 0.361 nan 8.150 nan 0.000 0.458 656 G N -0.309 108.551 108.800 0.100 0.000 2.394 656 G HA2 0.271 4.232 3.960 0.002 0.000 0.214 656 G HA3 0.271 4.232 3.960 0.002 0.000 0.214 656 G C 0.771 175.728 174.900 0.096 0.000 1.176 656 G CA 0.884 46.025 45.100 0.068 0.000 0.786 656 G HN 0.945 nan 8.290 nan 0.000 0.533 657 A N 1.241 124.154 122.820 0.156 0.000 2.786 657 A HA 0.714 5.035 4.320 0.002 0.000 0.346 657 A C -2.509 175.238 177.584 0.272 0.000 1.265 657 A CA -1.296 50.848 52.037 0.178 0.000 0.858 657 A CB 0.929 20.032 19.000 0.172 0.000 1.118 657 A HN 0.161 nan 8.150 nan 0.000 0.482 658 P HA -0.017 nan 4.420 nan 0.000 0.270 658 P C 1.379 178.539 177.300 -0.233 0.000 1.221 658 P CA 0.428 63.495 63.100 -0.055 0.000 0.788 658 P CB 0.655 32.304 31.700 -0.086 0.000 0.904 659 S N 0.586 115.802 115.700 -0.806 0.000 2.419 659 S HA -0.177 4.293 4.470 0.002 0.000 0.235 659 S C 1.794 176.271 174.600 -0.204 0.000 1.019 659 S CA 1.172 59.027 58.200 -0.575 0.000 0.982 659 S CB -1.171 61.584 63.200 -0.743 0.000 0.789 659 S HN 0.206 nan 8.310 nan 0.000 0.490 660 L N 2.393 123.495 121.223 -0.202 0.000 2.197 660 L HA -0.074 4.267 4.340 0.002 0.000 0.215 660 L C 2.794 179.523 176.870 -0.235 0.000 1.095 660 L CA 2.229 56.950 54.840 -0.198 0.000 0.764 660 L CB -1.310 40.624 42.059 -0.207 0.000 0.897 660 L HN 0.803 nan 8.230 nan 0.000 0.436 661 T N -4.790 109.705 114.554 -0.100 0.000 3.069 661 T HA 0.270 4.621 4.350 0.002 0.000 0.252 661 T C 0.453 175.252 174.700 0.164 0.000 1.053 661 T CA 0.354 62.477 62.100 0.038 0.000 0.964 661 T CB -0.352 68.600 68.868 0.139 0.000 1.005 661 T HN 0.041 nan 8.240 nan 0.000 0.532 662 V N -1.982 117.992 119.914 0.101 0.000 3.234 662 V HA 0.590 4.711 4.120 0.002 0.000 0.317 662 V C 0.137 176.274 176.094 0.071 0.000 1.147 662 V CA -0.864 61.510 62.300 0.124 0.000 1.037 662 V CB 1.743 33.653 31.823 0.144 0.000 1.148 662 V HN -0.015 nan 8.190 nan 0.000 0.455 663 D N 0.440 120.880 120.400 0.066 0.000 2.388 663 D HA 0.493 5.134 4.640 0.002 0.000 0.208 663 D C 0.522 176.803 176.300 -0.032 0.000 1.035 663 D CA 1.440 55.450 54.000 0.016 0.000 0.875 663 D CB 1.483 42.309 40.800 0.043 0.000 0.984 663 D HN 0.935 nan 8.370 nan 0.000 0.508 664 A N 0.160 122.977 122.820 -0.004 0.000 2.610 664 A HA 0.553 4.874 4.320 0.002 0.000 0.291 664 A C -1.498 176.099 177.584 0.021 0.000 1.086 664 A CA -0.527 51.493 52.037 -0.027 0.000 0.677 664 A CB 1.601 20.574 19.000 -0.045 0.000 1.278 664 A HN -0.114 nan 8.150 nan 0.000 0.414 665 V N 1.354 121.274 119.914 0.011 0.000 2.588 665 V HA 0.581 4.702 4.120 0.002 0.000 0.304 665 V C -0.663 175.430 176.094 -0.002 0.000 1.042 665 V CA -0.245 62.075 62.300 0.033 0.000 0.877 665 V CB 1.527 33.385 31.823 0.059 0.000 0.996 665 V HN 0.687 nan 8.190 nan 0.000 0.425 666 I N 4.262 124.840 120.570 0.013 0.000 2.465 666 I HA 0.529 4.700 4.170 0.002 0.000 0.291 666 I C -0.870 175.271 176.117 0.041 0.000 1.014 666 I CA -0.938 60.393 61.300 0.052 0.000 1.093 666 I CB 2.258 40.317 38.000 0.099 0.000 1.267 666 I HN 0.257 nan 8.210 nan 0.000 0.431 667 V N 7.515 127.469 119.914 0.066 0.000 2.304 667 V HA 0.295 4.416 4.120 0.002 0.000 0.278 667 V C -1.950 174.208 176.094 0.108 0.000 1.018 667 V CA -1.532 60.799 62.300 0.052 0.000 0.814 667 V CB 1.061 32.892 31.823 0.014 0.000 1.021 667 V HN 0.589 nan 8.190 nan 0.000 0.440 668 P HA 0.112 nan 4.420 nan 0.000 0.273 668 P C 0.162 177.486 177.300 0.040 0.000 1.250 668 P CA -0.135 62.989 63.100 0.040 0.000 0.793 668 P CB 1.142 32.852 31.700 0.016 0.000 1.011 669 C N -0.405 118.895 119.300 -0.000 0.000 2.396 669 C HA 0.800 5.260 4.460 0.002 0.000 0.359 669 C C 1.071 176.064 174.990 0.006 0.000 1.307 669 C CA 1.367 60.390 59.018 0.007 0.000 2.392 669 C CB -0.244 27.483 27.740 -0.022 0.000 2.245 669 C HN 0.928 nan 8.230 nan 0.000 0.615 670 G N 1.852 110.657 108.800 0.008 0.000 2.347 670 G HA2 0.040 4.001 3.960 0.002 0.000 0.224 670 G HA3 0.040 4.001 3.960 0.002 0.000 0.224 670 G C -1.043 173.865 174.900 0.014 0.000 1.318 670 G CA -0.171 44.932 45.100 0.005 0.000 1.016 670 G HN 0.871 nan 8.290 nan 0.000 0.469 671 N N 1.746 120.459 118.700 0.021 0.000 2.671 671 N HA 0.195 4.936 4.740 0.002 0.000 0.274 671 N C 1.598 177.139 175.510 0.051 0.000 1.188 671 N CA -0.383 52.684 53.050 0.029 0.000 1.065 671 N CB -0.166 38.340 38.487 0.031 0.000 1.415 671 N HN 0.382 nan 8.380 nan 0.000 0.511 672 I N 1.376 121.967 120.570 0.034 0.000 2.493 672 I HA -0.154 4.016 4.170 0.002 0.000 0.254 672 I C 1.958 178.086 176.117 0.019 0.000 1.160 672 I CA 0.583 61.906 61.300 0.039 0.000 1.445 672 I CB -1.361 36.625 38.000 -0.022 0.000 1.086 672 I HN 0.502 nan 8.210 nan 0.000 0.433 673 A N 0.607 123.429 122.820 0.003 0.000 2.019 673 A HA -0.270 4.050 4.320 0.002 0.000 0.219 673 A C 2.071 179.677 177.584 0.037 0.000 1.164 673 A CA 1.996 54.031 52.037 -0.004 0.000 0.644 673 A CB -0.642 18.355 19.000 -0.004 0.000 0.805 673 A HN 0.407 nan 8.150 nan 0.000 0.449 674 D N 0.576 121.022 120.400 0.077 0.000 2.092 674 D HA -0.176 4.465 4.640 0.002 0.000 0.193 674 D C 1.689 178.083 176.300 0.155 0.000 0.994 674 D CA 1.990 56.064 54.000 0.122 0.000 0.828 674 D CB -0.228 40.670 40.800 0.164 0.000 0.963 674 D HN 0.616 nan 8.370 nan 0.000 0.450 675 I N -3.178 117.515 120.570 0.204 0.000 3.860 675 I HA 0.399 4.570 4.170 0.002 0.000 0.319 675 I C 1.947 178.207 176.117 0.238 0.000 1.279 675 I CA 0.205 61.655 61.300 0.250 0.000 1.220 675 I CB -0.054 38.146 38.000 0.333 0.000 1.027 675 I HN -0.058 nan 8.210 nan 0.000 0.428 676 A N 2.607 125.512 122.820 0.141 0.000 1.972 676 A HA -0.217 4.104 4.320 0.002 0.000 0.219 676 A C 1.943 179.561 177.584 0.055 0.000 1.169 676 A CA 1.985 54.025 52.037 0.005 0.000 0.635 676 A CB -0.647 18.233 19.000 -0.200 0.000 0.810 676 A HN 0.739 nan 8.150 nan 0.000 0.446 677 D N -1.378 119.058 120.400 0.060 0.000 2.349 677 D HA -0.034 4.607 4.640 0.002 0.000 0.214 677 D C 0.119 176.461 176.300 0.070 0.000 1.063 677 D CA -0.307 53.721 54.000 0.048 0.000 0.847 677 D CB -0.408 40.408 40.800 0.027 0.000 0.933 677 D HN 0.285 nan 8.370 nan 0.000 0.513 678 N N 1.270 120.030 118.700 0.101 0.000 2.408 678 N HA 0.083 4.824 4.740 0.002 0.000 0.257 678 N C 1.366 176.926 175.510 0.083 0.000 1.064 678 N CA 0.023 53.132 53.050 0.098 0.000 0.952 678 N CB 1.497 40.068 38.487 0.141 0.000 1.093 678 N HN 0.059 nan 8.380 nan 0.000 0.490 679 G N 3.198 112.041 108.800 0.071 0.000 2.475 679 G HA2 -0.268 3.693 3.960 0.002 0.000 0.220 679 G HA3 -0.268 3.693 3.960 0.002 0.000 0.220 679 G C 0.912 175.862 174.900 0.083 0.000 1.125 679 G CA 0.622 45.762 45.100 0.066 0.000 0.755 679 G HN 0.593 nan 8.290 nan 0.000 0.565 680 D N 0.665 121.121 120.400 0.094 0.000 2.123 680 D HA 0.077 4.718 4.640 0.002 0.000 0.200 680 D C 2.815 179.105 176.300 -0.017 0.000 0.976 680 D CA 1.117 55.199 54.000 0.136 0.000 0.831 680 D CB -0.459 40.521 40.800 0.300 0.000 0.974 680 D HN 0.287 nan 8.370 nan 0.000 0.469 681 A N 0.911 123.542 122.820 -0.315 0.000 1.930 681 A HA -0.163 4.158 4.320 0.002 0.000 0.217 681 A C 1.971 179.345 177.584 -0.349 0.000 1.175 681 A CA 1.187 52.789 52.037 -0.725 0.000 0.627 681 A CB -0.475 18.097 19.000 -0.714 0.000 0.815 681 A HN 0.170 nan 8.150 nan 0.000 0.443 682 N N -1.773 116.862 118.700 -0.108 0.000 2.216 682 N HA -0.150 4.591 4.740 0.002 0.000 0.183 682 N C 1.680 177.180 175.510 -0.017 0.000 1.017 682 N CA 1.562 54.590 53.050 -0.036 0.000 0.861 682 N CB -0.297 38.252 38.487 0.103 0.000 0.986 682 N HN 0.635 nan 8.380 nan 0.000 0.428 683 Y N 0.820 121.079 120.300 -0.069 0.000 2.293 683 Y HA -0.209 4.342 4.550 0.001 0.000 0.291 683 Y C 2.257 178.099 175.900 -0.096 0.000 1.137 683 Y CA 1.054 59.112 58.100 -0.071 0.000 1.202 683 Y CB -0.455 37.973 38.460 -0.053 0.000 0.990 683 Y HN 0.025 nan 8.280 nan 0.000 0.537 684 Y N -0.372 119.844 120.300 -0.141 0.000 2.114 684 Y HA -0.320 4.231 4.550 0.002 0.000 0.282 684 Y C 2.073 177.804 175.900 -0.282 0.000 1.165 684 Y CA 1.834 59.815 58.100 -0.198 0.000 1.148 684 Y CB -0.486 37.829 38.460 -0.241 0.000 0.972 684 Y HN 0.120 nan 8.280 nan 0.000 0.504 685 L N -0.609 120.549 121.223 -0.109 0.000 2.093 685 L HA -0.226 4.115 4.340 0.002 0.000 0.208 685 L C 2.347 179.086 176.870 -0.217 0.000 1.085 685 L CA 1.693 56.434 54.840 -0.165 0.000 0.755 685 L CB -1.259 40.656 42.059 -0.239 0.000 0.904 685 L HN 0.347 nan 8.230 nan 0.000 0.435 686 M N -1.194 118.212 119.600 -0.324 0.000 2.229 686 M HA -0.191 4.290 4.480 0.002 0.000 0.264 686 M C 2.136 178.167 176.300 -0.448 0.000 1.063 686 M CA 1.254 56.348 55.300 -0.343 0.000 1.114 686 M CB -0.207 32.173 32.600 -0.366 0.000 1.387 686 M HN 0.285 nan 8.290 nan 0.000 0.420 687 E N 0.673 120.434 120.200 -0.733 0.000 2.028 687 E HA -0.171 4.180 4.350 0.002 0.000 0.191 687 E C 2.006 178.260 176.600 -0.578 0.000 0.988 687 E CA 1.263 57.209 56.400 -0.757 0.000 0.799 687 E CB 0.019 29.257 29.700 -0.769 0.000 0.755 687 E HN 0.440 nan 8.360 nan 0.000 0.447 688 A N 0.461 123.053 122.820 -0.381 0.000 1.908 688 A HA -0.237 4.084 4.320 0.002 0.000 0.218 688 A C 2.073 179.553 177.584 -0.174 0.000 1.181 688 A CA 1.712 53.616 52.037 -0.221 0.000 0.627 688 A CB -1.045 17.872 19.000 -0.138 0.000 0.818 688 A HN 0.581 nan 8.150 nan 0.000 0.445 689 Y N 0.566 120.714 120.300 -0.253 0.000 2.070 689 Y HA -0.254 4.297 4.550 0.002 0.000 0.280 689 Y C 2.437 178.218 175.900 -0.198 0.000 1.148 689 Y CA 2.499 60.477 58.100 -0.204 0.000 1.125 689 Y CB -0.336 38.012 38.460 -0.187 0.000 0.975 689 Y HN 0.312 nan 8.280 nan 0.000 0.492 690 K N -0.664 119.621 120.400 -0.192 0.000 2.152 690 K HA -0.241 4.080 4.320 0.002 0.000 0.206 690 K C 1.287 177.773 176.600 -0.190 0.000 1.048 690 K CA 2.028 58.179 56.287 -0.227 0.000 0.933 690 K CB -0.500 31.848 32.500 -0.252 0.000 0.721 690 K HN 0.613 nan 8.250 nan 0.000 0.447 691 H N 0.236 119.178 119.070 -0.213 0.000 2.536 691 H HA 0.153 4.710 4.556 0.002 0.000 0.276 691 H C -0.105 175.055 175.328 -0.281 0.000 1.019 691 H CA 0.043 55.965 56.048 -0.211 0.000 1.159 691 H CB 0.062 29.699 29.762 -0.209 0.000 1.373 691 H HN 0.126 nan 8.280 nan 0.000 0.584 692 L N 0.550 121.616 121.223 -0.261 0.000 3.717 692 L HA -0.275 4.066 4.340 0.002 0.000 0.411 692 L C -0.435 176.165 176.870 -0.450 0.000 1.233 692 L CA 0.597 55.189 54.840 -0.413 0.000 0.917 692 L CB -1.587 40.201 42.059 -0.451 0.000 1.902 692 L HN 0.301 nan 8.230 nan 0.000 0.894 693 K N 0.485 120.684 120.400 -0.334 0.000 2.110 693 K HA 0.528 4.849 4.320 0.002 0.000 0.263 693 K C -2.165 174.290 176.600 -0.241 0.000 0.975 693 K CA -1.877 54.237 56.287 -0.287 0.000 0.895 693 K CB 0.824 33.209 32.500 -0.191 0.000 1.060 693 K HN -0.212 nan 8.250 nan 0.000 0.448 694 P HA 0.019 nan 4.420 nan 0.000 0.264 694 P C -0.803 176.424 177.300 -0.121 0.000 1.193 694 P CA 0.475 63.471 63.100 -0.172 0.000 0.763 694 P CB 0.333 31.932 31.700 -0.169 0.000 0.810 695 I N 2.353 122.866 120.570 -0.094 0.000 2.436 695 I HA 0.546 4.717 4.170 0.002 0.000 0.289 695 I C -0.094 175.971 176.117 -0.087 0.000 1.010 695 I CA -0.833 60.431 61.300 -0.061 0.000 1.098 695 I CB 1.969 39.961 38.000 -0.012 0.000 1.266 695 I HN 0.269 nan 8.210 nan 0.000 0.434 696 A N 8.074 130.839 122.820 -0.092 0.000 2.304 696 A HA 0.835 5.156 4.320 0.002 0.000 0.314 696 A C -0.921 176.717 177.584 0.090 0.000 1.187 696 A CA -0.427 51.517 52.037 -0.154 0.000 0.810 696 A CB 0.718 19.494 19.000 -0.374 0.000 1.183 696 A HN 0.690 nan 8.150 nan 0.000 0.487 697 L N 2.553 123.890 121.223 0.190 0.000 2.343 697 L HA 0.669 5.010 4.340 0.002 0.000 0.278 697 L C 0.312 177.395 176.870 0.354 0.000 0.996 697 L CA -0.477 54.511 54.840 0.246 0.000 0.831 697 L CB 1.872 44.030 42.059 0.165 0.000 1.232 697 L HN 0.758 nan 8.230 nan 0.000 0.413 698 A N 2.571 125.539 122.820 0.247 0.000 2.292 698 A HA 0.811 5.132 4.320 0.002 0.000 0.319 698 A C 0.733 178.326 177.584 0.016 0.000 1.206 698 A CA 0.331 52.386 52.037 0.030 0.000 0.835 698 A CB 0.996 19.857 19.000 -0.232 0.000 1.164 698 A HN 0.969 nan 8.150 nan 0.000 0.505 699 G N 2.270 111.066 108.800 -0.006 0.000 2.611 699 G HA2 -0.353 3.608 3.960 0.002 0.000 0.301 699 G HA3 -0.353 3.608 3.960 0.002 0.000 0.301 699 G C 0.611 175.519 174.900 0.013 0.000 1.233 699 G CA 0.898 45.992 45.100 -0.009 0.000 0.993 699 G HN 0.694 nan 8.290 nan 0.000 0.553 700 D N 1.284 121.685 120.400 0.002 0.000 2.351 700 D HA 0.200 4.841 4.640 0.002 0.000 0.216 700 D C 2.614 178.914 176.300 0.000 0.000 0.968 700 D CA 1.651 55.646 54.000 -0.010 0.000 0.899 700 D CB -0.658 40.129 40.800 -0.023 0.000 0.907 700 D HN 0.804 nan 8.370 nan 0.000 0.514 701 A N 0.454 123.315 122.820 0.069 0.000 2.070 701 A HA -0.176 4.145 4.320 0.002 0.000 0.220 701 A C 1.998 179.701 177.584 0.199 0.000 1.159 701 A CA 0.807 52.956 52.037 0.186 0.000 0.656 701 A CB -0.353 18.774 19.000 0.211 0.000 0.800 701 A HN 0.179 nan 8.150 nan 0.000 0.453 702 R N -0.189 120.373 120.500 0.103 0.000 2.285 702 R HA -0.063 4.278 4.340 0.002 0.000 0.213 702 R C 1.435 177.755 176.300 0.032 0.000 1.068 702 R CA 0.767 56.917 56.100 0.084 0.000 1.004 702 R CB -0.133 30.200 30.300 0.056 0.000 0.873 702 R HN 0.373 nan 8.270 nan 0.000 0.467 703 K N 0.364 120.730 120.400 -0.056 0.000 2.113 703 K HA -0.163 4.158 4.320 0.002 0.000 0.208 703 K C 1.529 178.035 176.600 -0.157 0.000 1.047 703 K CA 1.402 57.589 56.287 -0.167 0.000 0.928 703 K CB -0.286 32.002 32.500 -0.353 0.000 0.716 703 K HN 0.219 nan 8.250 nan 0.000 0.446 704 F N 1.563 121.494 119.950 -0.032 0.000 2.699 704 F HA 0.001 4.529 4.527 0.002 0.000 0.298 704 F C 2.100 177.859 175.800 -0.068 0.000 1.154 704 F CA 0.574 58.544 58.000 -0.049 0.000 1.457 704 F CB -0.192 38.778 39.000 -0.050 0.000 1.106 704 F HN -0.028 nan 8.300 nan 0.000 0.585 705 K N 0.312 120.772 120.400 0.100 0.000 2.103 705 K HA -0.188 4.133 4.320 0.002 0.000 0.207 705 K C 2.323 178.908 176.600 -0.026 0.000 1.048 705 K CA 1.192 57.487 56.287 0.014 0.000 0.930 705 K CB -0.369 32.134 32.500 0.005 0.000 0.716 705 K HN 0.254 nan 8.250 nan 0.000 0.444 706 A N 0.575 123.386 122.820 -0.015 0.000 2.076 706 A HA -0.155 4.166 4.320 0.002 0.000 0.220 706 A C 2.037 179.606 177.584 -0.026 0.000 1.160 706 A CA 1.913 53.932 52.037 -0.029 0.000 0.653 706 A CB -0.607 18.371 19.000 -0.036 0.000 0.801 706 A HN 0.265 nan 8.150 nan 0.000 0.455 707 T N 0.534 115.090 114.554 0.005 0.000 2.770 707 T HA -0.003 4.348 4.350 0.002 0.000 0.258 707 T C 1.619 176.267 174.700 -0.086 0.000 1.039 707 T CA 1.311 63.414 62.100 0.005 0.000 1.143 707 T CB -0.369 68.567 68.868 0.113 0.000 0.866 707 T HN 0.687 nan 8.240 nan 0.000 0.428 708 I N -1.526 118.946 120.570 -0.164 0.000 3.749 708 I HA 0.278 4.449 4.170 0.002 0.000 0.314 708 I C -0.563 175.309 176.117 -0.407 0.000 1.267 708 I CA -0.130 60.944 61.300 -0.377 0.000 1.169 708 I CB -0.294 37.370 38.000 -0.560 0.000 1.009 708 I HN -0.064 nan 8.210 nan 0.000 0.444 709 K N 1.761 122.035 120.400 -0.211 0.000 3.393 709 K HA -0.108 4.213 4.320 0.002 0.000 0.272 709 K C -0.629 175.894 176.600 -0.129 0.000 1.004 709 K CA 0.667 56.868 56.287 -0.142 0.000 0.764 709 K CB -2.253 30.177 32.500 -0.115 0.000 1.373 709 K HN 0.576 nan 8.250 nan 0.000 0.458 710 I N 0.478 120.983 120.570 -0.109 0.000 2.437 710 I HA 0.335 4.506 4.170 0.002 0.000 0.298 710 I C 0.936 177.035 176.117 -0.030 0.000 0.984 710 I CA -0.870 60.392 61.300 -0.064 0.000 1.214 710 I CB 1.634 39.597 38.000 -0.062 0.000 1.365 710 I HN 0.348 nan 8.210 nan 0.000 0.469 711 A N 3.918 126.729 122.820 -0.015 0.000 2.540 711 A HA 0.013 4.333 4.320 0.002 0.000 0.239 711 A C 0.659 178.241 177.584 -0.004 0.000 1.061 711 A CA -0.004 52.029 52.037 -0.006 0.000 0.758 711 A CB -0.128 18.873 19.000 0.002 0.000 0.991 711 A HN 0.874 nan 8.150 nan 0.000 0.502 712 D N 0.669 121.067 120.400 -0.003 0.000 2.221 712 D HA -0.176 4.465 4.640 0.002 0.000 0.204 712 D C 1.887 178.190 176.300 0.004 0.000 0.982 712 D CA 1.831 55.831 54.000 -0.000 0.000 0.857 712 D CB 0.012 40.811 40.800 -0.002 0.000 0.934 712 D HN 0.833 nan 8.370 nan 0.000 0.475 713 Q N 0.724 120.526 119.800 0.004 0.000 2.364 713 Q HA 0.011 4.352 4.340 0.002 0.000 0.209 713 Q C 0.903 176.908 176.000 0.008 0.000 0.977 713 Q CA 1.206 57.013 55.803 0.006 0.000 0.885 713 Q CB 0.018 28.759 28.738 0.006 0.000 0.941 713 Q HN 0.174 nan 8.270 nan 0.000 0.464 714 G N -0.277 108.528 108.800 0.008 0.000 2.685 714 G HA2 -0.091 3.870 3.960 0.002 0.000 0.387 714 G HA3 -0.091 3.870 3.960 0.002 0.000 0.387 714 G C -1.130 173.777 174.900 0.012 0.000 1.324 714 G CA -0.308 44.799 45.100 0.010 0.000 0.878 714 G HN 0.779 nan 8.290 nan 0.000 0.527 715 E N -1.616 118.592 120.200 0.013 0.000 2.409 715 E HA 0.575 4.926 4.350 0.002 0.000 0.280 715 E C -0.561 176.040 176.600 0.002 0.000 1.079 715 E CA -0.700 55.709 56.400 0.016 0.000 0.840 715 E CB 1.049 30.771 29.700 0.038 0.000 1.309 715 E HN 0.759 nan 8.360 nan 0.000 0.447 716 E N 0.016 120.209 120.200 -0.011 0.000 2.360 716 E HA 0.331 4.682 4.350 0.002 0.000 0.269 716 E C 0.621 177.184 176.600 -0.061 0.000 1.022 716 E CA 1.126 57.503 56.400 -0.039 0.000 0.887 716 E CB 0.467 30.141 29.700 -0.044 0.000 0.990 716 E HN 0.897 nan 8.360 nan 0.000 0.426 717 G N 4.249 112.997 108.800 -0.086 0.000 2.217 717 G HA2 -0.199 3.762 3.960 0.002 0.000 0.246 717 G HA3 -0.199 3.762 3.960 0.002 0.000 0.246 717 G C 0.086 174.935 174.900 -0.085 0.000 0.990 717 G CA 0.093 45.122 45.100 -0.119 0.000 0.627 717 G HN 0.483 nan 8.290 nan 0.000 0.522 718 I N 2.389 122.935 120.570 -0.040 0.000 2.307 718 I HA 0.418 4.589 4.170 0.002 0.000 0.287 718 I C 0.687 176.766 176.117 -0.062 0.000 1.054 718 I CA -1.191 60.093 61.300 -0.027 0.000 1.218 718 I CB 0.889 38.901 38.000 0.021 0.000 1.398 718 I HN -0.087 nan 8.210 nan 0.000 0.475 719 V N 7.818 127.654 119.914 -0.130 0.000 2.488 719 V HA 0.259 4.380 4.120 0.002 0.000 0.277 719 V C 0.483 176.512 176.094 -0.109 0.000 1.046 719 V CA -0.358 61.825 62.300 -0.195 0.000 0.986 719 V CB 0.829 32.400 31.823 -0.421 0.000 0.989 719 V HN 0.831 nan 8.190 nan 0.000 0.475 720 E N 4.567 124.784 120.200 0.028 0.000 2.393 720 E HA 0.918 5.268 4.350 0.002 0.000 0.273 720 E C -0.854 175.899 176.600 0.254 0.000 0.918 720 E CA -1.025 55.476 56.400 0.168 0.000 0.773 720 E CB 2.775 32.533 29.700 0.098 0.000 1.275 720 E HN 0.749 nan 8.360 nan 0.000 0.451 721 A N 1.651 124.633 122.820 0.270 0.000 2.515 721 A HA 0.319 4.640 4.320 0.002 0.000 0.292 721 A C -0.942 176.673 177.584 0.052 0.000 1.065 721 A CA -0.457 51.683 52.037 0.172 0.000 0.641 721 A CB 0.904 20.044 19.000 0.233 0.000 1.306 721 A HN 0.644 nan 8.150 nan 0.000 0.441 722 D N 0.367 120.767 120.400 0.000 0.000 2.194 722 D HA 0.160 4.801 4.640 0.002 0.000 0.204 722 D C 0.797 177.041 176.300 -0.093 0.000 0.964 722 D CA 2.036 56.016 54.000 -0.033 0.000 0.846 722 D CB 0.122 40.908 40.800 -0.024 0.000 0.962 722 D HN 0.700 nan 8.370 nan 0.000 0.490 723 S N -0.819 114.782 115.700 -0.165 0.000 2.556 723 S HA 0.722 5.193 4.470 0.002 0.000 0.271 723 S C -0.726 173.558 174.600 -0.526 0.000 1.135 723 S CA -1.253 56.794 58.200 -0.256 0.000 0.858 723 S CB 1.910 65.013 63.200 -0.161 0.000 1.114 723 S HN 0.088 nan 8.310 nan 0.000 0.468 724 A N 1.542 123.956 122.820 -0.677 0.000 2.451 724 A HA 0.599 4.920 4.320 0.002 0.000 0.266 724 A C 0.119 177.457 177.584 -0.411 0.000 1.119 724 A CA 0.257 51.682 52.037 -1.020 0.000 0.786 724 A CB -0.933 17.717 19.000 -0.583 0.000 1.061 724 A HN 1.051 nan 8.150 nan 0.000 0.503 725 D N 0.177 120.446 120.400 -0.217 0.000 2.759 725 D HA 0.514 5.154 4.640 0.002 0.000 0.321 725 D C 1.084 177.442 176.300 0.097 0.000 1.267 725 D CA -0.043 53.938 54.000 -0.032 0.000 0.933 725 D CB 0.194 40.971 40.800 -0.038 0.000 1.431 725 D HN 0.332 nan 8.370 nan 0.000 0.504 726 G N -0.316 108.524 108.800 0.065 0.000 2.553 726 G HA2 -0.330 3.631 3.960 0.002 0.000 0.218 726 G HA3 -0.330 3.631 3.960 0.002 0.000 0.218 726 G C 1.417 176.372 174.900 0.092 0.000 1.195 726 G CA 2.114 47.255 45.100 0.069 0.000 0.779 726 G HN 0.656 nan 8.290 nan 0.000 0.577 727 S N 0.459 116.215 115.700 0.094 0.000 2.383 727 S HA -0.078 4.393 4.470 0.002 0.000 0.227 727 S C 2.104 176.781 174.600 0.128 0.000 1.026 727 S CA 1.333 59.587 58.200 0.089 0.000 0.981 727 S CB -0.570 62.673 63.200 0.072 0.000 0.818 727 S HN 0.403 nan 8.310 nan 0.000 0.472 728 F N 2.565 122.513 119.950 -0.004 0.000 2.091 728 F HA -0.104 4.424 4.527 0.002 0.000 0.299 728 F C 2.272 178.068 175.800 -0.007 0.000 1.103 728 F CA 1.593 59.591 58.000 -0.004 0.000 1.228 728 F CB -0.335 38.663 39.000 -0.003 0.000 0.984 728 F HN 0.064 nan 8.300 nan 0.000 0.477 729 M N 0.235 119.981 119.600 0.243 0.000 2.175 729 M HA -0.180 4.301 4.480 0.002 0.000 0.264 729 M C 1.950 178.255 176.300 0.008 0.000 1.063 729 M CA 1.348 56.711 55.300 0.105 0.000 1.119 729 M CB -1.386 31.304 32.600 0.150 0.000 1.377 729 M HN 0.248 nan 8.290 nan 0.000 0.415 730 D N 0.388 120.801 120.400 0.022 0.000 2.123 730 D HA -0.177 4.464 4.640 0.002 0.000 0.196 730 D C 1.786 178.065 176.300 -0.035 0.000 0.992 730 D CA 1.311 55.310 54.000 -0.002 0.000 0.833 730 D CB 0.025 40.832 40.800 0.013 0.000 0.954 730 D HN 0.520 nan 8.370 nan 0.000 0.455 731 E N 0.621 120.786 120.200 -0.059 0.000 2.110 731 E HA -0.110 4.241 4.350 0.002 0.000 0.193 731 E C 2.276 178.800 176.600 -0.127 0.000 0.988 731 E CA 0.186 56.533 56.400 -0.089 0.000 0.804 731 E CB 0.057 29.692 29.700 -0.110 0.000 0.745 731 E HN 0.214 nan 8.360 nan 0.000 0.458 732 L N 0.763 121.880 121.223 -0.176 0.000 2.005 732 L HA -0.152 4.189 4.340 0.002 0.000 0.207 732 L C 2.106 178.912 176.870 -0.108 0.000 1.072 732 L CA 1.095 55.827 54.840 -0.181 0.000 0.744 732 L CB -0.202 41.719 42.059 -0.229 0.000 0.895 732 L HN 0.249 nan 8.230 nan 0.000 0.433 733 L N -0.266 120.914 121.223 -0.071 0.000 2.275 733 L HA -0.150 4.191 4.340 0.002 0.000 0.215 733 L C 2.499 179.345 176.870 -0.039 0.000 1.119 733 L CA 1.446 56.259 54.840 -0.046 0.000 0.790 733 L CB -1.567 40.476 42.059 -0.027 0.000 0.919 733 L HN 0.283 nan 8.230 nan 0.000 0.443 734 T N -0.571 113.957 114.554 -0.045 0.000 2.851 734 T HA -0.049 4.302 4.350 0.002 0.000 0.262 734 T C 2.084 176.755 174.700 -0.048 0.000 1.043 734 T CA 0.632 62.712 62.100 -0.035 0.000 1.140 734 T CB 0.011 68.860 68.868 -0.032 0.000 0.872 734 T HN 0.186 nan 8.240 nan 0.000 0.446 735 L N 0.424 121.599 121.223 -0.079 0.000 2.083 735 L HA -0.062 4.279 4.340 0.002 0.000 0.209 735 L C 2.668 179.473 176.870 -0.109 0.000 1.083 735 L CA 1.236 56.010 54.840 -0.110 0.000 0.752 735 L CB -0.516 41.458 42.059 -0.141 0.000 0.899 735 L HN 0.303 nan 8.230 nan 0.000 0.433 736 M N -0.756 118.793 119.600 -0.084 0.000 2.117 736 M HA -0.181 4.300 4.480 0.002 0.000 0.262 736 M C 2.443 178.738 176.300 -0.008 0.000 1.065 736 M CA 1.804 57.070 55.300 -0.056 0.000 1.114 736 M CB -0.423 32.152 32.600 -0.042 0.000 1.361 736 M HN 0.317 nan 8.290 nan 0.000 0.408 737 A N 0.044 122.864 122.820 0.001 0.000 2.070 737 A HA 0.043 4.364 4.320 0.002 0.000 0.220 737 A C 2.080 179.702 177.584 0.064 0.000 1.159 737 A CA 1.631 53.689 52.037 0.036 0.000 0.656 737 A CB -0.644 18.373 19.000 0.029 0.000 0.800 737 A HN 0.511 nan 8.150 nan 0.000 0.453 738 A N -2.540 120.296 122.820 0.028 0.000 2.251 738 A HA 0.351 4.671 4.320 0.002 0.000 0.209 738 A C 0.938 178.542 177.584 0.033 0.000 1.187 738 A CA 1.204 53.268 52.037 0.045 0.000 0.823 738 A CB -0.495 18.494 19.000 -0.018 0.000 0.846 738 A HN 0.894 nan 8.150 nan 0.000 0.486 739 H N -1.097 117.910 119.070 -0.104 0.000 4.702 739 H HA -0.205 4.352 4.556 0.001 0.000 0.069 739 H C 0.074 175.169 175.328 -0.388 0.000 0.593 739 H CA 2.445 58.404 56.048 -0.148 0.000 1.050 739 H CB -0.556 29.210 29.762 0.007 0.000 0.788 739 H HN 0.450 nan 8.280 nan 0.000 0.820 740 R N -0.016 119.895 120.500 -0.981 0.000 2.854 740 R HA 0.575 4.915 4.340 0.002 0.000 0.271 740 R C -0.438 175.041 176.300 -1.368 0.000 0.996 740 R CA -0.340 54.967 56.100 -1.323 0.000 0.961 740 R CB 1.583 30.749 30.300 -1.889 0.000 1.182 740 R HN 0.135 nan 8.270 nan 0.000 0.479 741 V N 2.750 122.086 119.914 -0.962 0.000 2.149 741 V HA 0.043 4.164 4.120 0.002 0.000 0.245 741 V C 0.828 176.516 176.094 -0.676 0.000 1.349 741 V CA -0.278 61.617 62.300 -0.675 0.000 1.289 741 V CB -0.803 30.759 31.823 -0.436 0.000 1.401 741 V HN 0.705 nan 8.190 nan 0.000 0.501 742 W N 1.590 122.633 121.300 -0.427 0.000 2.350 742 W HA -0.220 4.441 4.660 0.001 0.000 0.289 742 W C 2.546 178.866 176.519 -0.331 0.000 1.215 742 W CA 0.935 57.940 57.345 -0.567 0.000 1.236 742 W CB -0.520 28.267 29.460 -1.121 0.000 1.130 742 W HN 0.644 nan 8.180 nan 0.000 0.541 743 S N 0.669 116.334 115.700 -0.059 0.000 2.493 743 S HA -0.203 4.268 4.470 0.002 0.000 0.243 743 S C 1.655 176.227 174.600 -0.047 0.000 0.991 743 S CA 1.155 59.340 58.200 -0.026 0.000 0.957 743 S CB -0.482 62.700 63.200 -0.028 0.000 0.756 743 S HN 0.460 nan 8.310 nan 0.000 0.521 744 R N 0.735 121.166 120.500 -0.115 0.000 2.299 744 R HA 0.279 4.620 4.340 0.002 0.000 0.197 744 R C 1.773 178.025 176.300 -0.079 0.000 0.971 744 R CA 0.277 56.296 56.100 -0.136 0.000 1.030 744 R CB -0.309 29.803 30.300 -0.313 0.000 0.932 744 R HN 0.466 nan 8.270 nan 0.000 0.477 745 I N 2.413 122.969 120.570 -0.023 0.000 2.194 745 I HA -0.209 3.962 4.170 0.002 0.000 0.246 745 I C -0.692 175.457 176.117 0.054 0.000 1.093 745 I CA 1.149 62.474 61.300 0.041 0.000 1.355 745 I CB -1.009 37.057 38.000 0.110 0.000 1.046 745 I HN 0.188 nan 8.210 nan 0.000 0.413 746 P HA -0.189 nan 4.420 nan 0.000 0.218 746 P C 1.216 178.551 177.300 0.059 0.000 1.148 746 P CA 1.648 64.782 63.100 0.057 0.000 0.822 746 P CB -0.044 31.686 31.700 0.051 0.000 0.784 747 K N 0.435 120.869 120.400 0.058 0.000 2.031 747 K HA -0.035 4.286 4.320 0.002 0.000 0.205 747 K C 2.343 179.013 176.600 0.117 0.000 1.049 747 K CA 1.272 57.616 56.287 0.096 0.000 0.939 747 K CB -0.829 31.756 32.500 0.142 0.000 0.717 747 K HN 0.242 nan 8.250 nan 0.000 0.438 748 I N -0.263 120.355 120.570 0.080 0.000 2.800 748 I HA -0.201 3.969 4.170 0.002 0.000 0.266 748 I C 0.786 176.953 176.117 0.083 0.000 1.249 748 I CA 1.426 62.775 61.300 0.083 0.000 1.458 748 I CB -0.248 37.745 38.000 -0.012 0.000 1.093 748 I HN 0.057 nan 8.210 nan 0.000 0.466 749 D N 1.967 122.416 120.400 0.080 0.000 2.269 749 D HA -0.092 4.549 4.640 0.002 0.000 0.208 749 D C 1.658 177.999 176.300 0.068 0.000 0.963 749 D CA 0.874 54.921 54.000 0.077 0.000 0.864 749 D CB -0.003 40.843 40.800 0.077 0.000 0.936 749 D HN 0.574 nan 8.370 nan 0.000 0.505 750 K N 0.311 120.751 120.400 0.067 0.000 2.426 750 K HA 0.093 4.414 4.320 0.002 0.000 0.193 750 K C 0.500 177.127 176.600 0.046 0.000 1.028 750 K CA -0.078 56.241 56.287 0.052 0.000 1.047 750 K CB 0.794 33.321 32.500 0.046 0.000 0.821 750 K HN 0.075 nan 8.250 nan 0.000 0.513 751 I N 3.244 123.848 120.570 0.057 0.000 2.395 751 I HA 0.051 4.222 4.170 0.002 0.000 0.289 751 I C -2.055 174.085 176.117 0.039 0.000 1.023 751 I CA -2.020 59.305 61.300 0.042 0.000 1.350 751 I CB 0.892 38.934 38.000 0.069 0.000 1.409 751 I HN -0.065 nan 8.210 nan 0.000 0.507 752 P HA 0.605 nan 4.420 nan 0.000 0.247 752 P C -1.195 176.159 177.300 0.090 0.000 1.683 752 P CA -0.204 62.930 63.100 0.056 0.000 1.143 752 P CB 1.130 32.859 31.700 0.049 0.000 1.577 753 A N 0.000 122.870 122.820 0.084 0.000 2.254 753 A HA 0.000 4.321 4.320 0.002 0.000 0.244 753 A CA 0.000 52.121 52.037 0.139 0.000 0.836 753 A CB 0.000 18.908 19.000 -0.154 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486