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 1p7y_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRAIRGFA 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 53.982 54.000 -0.031 0.000 0.868 27 D CB 0.000 40.785 40.800 -0.026 0.000 0.688 28 S N 0.452 116.128 115.700 -0.040 0.000 2.525 28 S HA 0.382 4.852 4.470 0.000 0.000 0.242 28 S C 1.148 175.711 174.600 -0.063 0.000 1.164 28 S CA -0.249 57.922 58.200 -0.048 0.000 1.154 28 S CB -0.476 62.703 63.200 -0.035 0.000 0.875 28 S HN 0.157 nan 8.310 nan 0.000 0.482 29 L N 0.715 121.893 121.223 -0.074 0.000 2.162 29 L HA 0.297 4.637 4.340 0.000 0.000 0.205 29 L C 1.548 178.340 176.870 -0.131 0.000 1.086 29 L CA 0.340 55.132 54.840 -0.080 0.000 0.778 29 L CB -0.837 41.185 42.059 -0.062 0.000 0.928 29 L HN 0.433 nan 8.230 nan 0.000 0.446 30 A N 1.514 124.205 122.820 -0.216 0.000 2.445 30 A HA 0.324 4.644 4.320 0.000 0.000 0.242 30 A C -2.013 175.427 177.584 -0.240 0.000 1.075 30 A CA -0.937 50.851 52.037 -0.415 0.000 0.777 30 A CB -0.615 17.882 19.000 -0.839 0.000 1.013 30 A HN 0.031 nan 8.150 nan 0.000 0.493 31 P HA 0.123 nan 4.420 nan 0.000 0.272 31 P C 0.139 177.431 177.300 -0.014 0.000 1.223 31 P CA -0.045 63.025 63.100 -0.050 0.000 0.784 31 P CB 0.877 32.587 31.700 0.015 0.000 0.923 32 E N 1.424 121.624 120.200 0.000 0.000 2.106 32 E HA -0.174 4.176 4.350 0.000 0.000 0.192 32 E C 1.278 177.900 176.600 0.036 0.000 0.984 32 E CA 1.474 57.881 56.400 0.012 0.000 0.806 32 E CB -0.612 29.090 29.700 0.003 0.000 0.750 32 E HN 0.538 nan 8.360 nan 0.000 0.458 33 D N -1.226 119.199 120.400 0.043 0.000 2.348 33 D HA -0.023 4.617 4.640 0.000 0.000 0.216 33 D C 1.267 177.611 176.300 0.073 0.000 0.970 33 D CA 1.030 55.058 54.000 0.047 0.000 0.889 33 D CB -0.432 40.390 40.800 0.037 0.000 0.912 33 D HN 0.228 nan 8.370 nan 0.000 0.524 34 G N 0.176 109.057 108.800 0.136 0.000 2.143 34 G HA2 -0.348 3.612 3.960 0.000 0.000 0.248 34 G HA3 -0.348 3.612 3.960 0.000 0.000 0.248 34 G C 0.997 175.973 174.900 0.126 0.000 0.991 34 G CA 0.958 46.177 45.100 0.198 0.000 0.689 34 G HN 0.749 nan 8.290 nan 0.000 0.522 35 S N 0.431 116.213 115.700 0.136 0.000 2.603 35 S HA -0.065 4.406 4.470 0.000 0.000 0.229 35 S C 1.888 176.533 174.600 0.075 0.000 0.972 35 S CA 1.246 59.488 58.200 0.069 0.000 0.935 35 S CB -0.553 62.682 63.200 0.059 0.000 0.769 35 S HN 1.010 nan 8.310 nan 0.000 0.536 36 H N 0.613 119.689 119.070 0.010 0.000 2.548 36 H HA 0.306 4.862 4.556 0.000 0.000 0.268 36 H C 0.701 176.040 175.328 0.018 0.000 0.975 36 H CA 0.109 56.164 56.048 0.012 0.000 1.195 36 H CB -0.243 29.525 29.762 0.010 0.000 1.397 36 H HN 0.335 nan 8.280 nan 0.000 0.572 37 R N 2.420 122.542 120.500 -0.630 0.000 2.338 37 R HA 0.359 4.699 4.340 0.000 0.000 0.317 37 R C -2.646 173.548 176.300 -0.178 0.000 0.968 37 R CA -2.033 53.805 56.100 -0.436 0.000 0.849 37 R CB 1.049 31.036 30.300 -0.522 0.000 1.128 37 R HN 0.108 nan 8.270 nan 0.000 0.448 38 P HA 0.183 nan 4.420 nan 0.000 0.280 38 P C -1.026 176.261 177.300 -0.022 0.000 1.244 38 P CA -0.490 62.593 63.100 -0.029 0.000 0.784 38 P CB 1.301 33.011 31.700 0.015 0.000 0.913 39 A N 2.989 125.801 122.820 -0.012 0.000 2.540 39 A HA 0.346 4.667 4.320 0.000 0.000 0.239 39 A C 0.995 178.586 177.584 0.011 0.000 1.061 39 A CA 0.168 52.202 52.037 -0.004 0.000 0.758 39 A CB -0.478 18.522 19.000 -0.000 0.000 0.991 39 A HN 0.589 nan 8.150 nan 0.000 0.502 40 A N 3.369 126.196 122.820 0.011 0.000 3.135 40 A HA 0.495 4.815 4.320 0.000 0.000 0.253 40 A C 0.380 177.978 177.584 0.024 0.000 1.638 40 A CA 0.167 52.217 52.037 0.021 0.000 1.295 40 A CB -0.831 18.179 19.000 0.017 0.000 1.106 40 A HN 0.904 nan 8.150 nan 0.000 0.648 41 E N -0.897 119.319 120.200 0.027 0.000 2.407 41 E HA 0.460 4.811 4.350 0.000 0.000 0.279 41 E C -3.292 173.327 176.600 0.032 0.000 1.012 41 E CA -2.529 53.889 56.400 0.029 0.000 0.800 41 E CB 0.517 30.229 29.700 0.020 0.000 1.276 41 E HN 0.028 nan 8.360 nan 0.000 0.452 42 P HA 0.058 nan 4.420 nan 0.000 0.264 42 P C -0.826 176.477 177.300 0.005 0.000 1.193 42 P CA 0.453 63.566 63.100 0.022 0.000 0.763 42 P CB 0.417 32.121 31.700 0.007 0.000 0.810 43 T N 0.927 115.478 114.554 -0.005 0.000 2.923 43 T HA 0.595 4.945 4.350 0.000 0.000 0.311 43 T C -3.074 171.583 174.700 -0.073 0.000 1.183 43 T CA -2.585 59.501 62.100 -0.023 0.000 1.020 43 T CB 1.662 70.526 68.868 -0.007 0.000 1.165 43 T HN 0.029 nan 8.240 nan 0.000 0.482 44 P HA 0.359 nan 4.420 nan 0.000 0.272 44 P C -2.745 174.405 177.300 -0.250 0.000 1.230 44 P CA -1.590 61.315 63.100 -0.324 0.000 0.788 44 P CB -1.032 30.487 31.700 -0.302 0.000 0.949 45 P HA 0.029 nan 4.420 nan 0.000 0.261 45 P C 1.081 178.336 177.300 -0.075 0.000 1.183 45 P CA 1.441 64.453 63.100 -0.147 0.000 0.761 45 P CB -0.362 31.265 31.700 -0.121 0.000 0.785 46 G N 2.828 111.612 108.800 -0.027 0.000 2.184 46 G HA2 -0.340 3.620 3.960 0.000 0.000 0.264 46 G HA3 -0.340 3.620 3.960 0.000 0.000 0.264 46 G C 1.107 176.003 174.900 -0.007 0.000 0.975 46 G CA 0.414 45.510 45.100 -0.007 0.000 0.642 46 G HN 0.691 nan 8.290 nan 0.000 0.536 47 A N -1.222 121.588 122.820 -0.017 0.000 1.970 47 A HA 0.420 4.740 4.320 0.000 0.000 0.216 47 A C 1.377 178.961 177.584 -0.001 0.000 1.170 47 A CA 1.964 53.994 52.037 -0.010 0.000 0.645 47 A CB 0.014 19.002 19.000 -0.019 0.000 0.816 47 A HN 0.536 nan 8.150 nan 0.000 0.447 48 Q N -1.123 118.681 119.800 0.006 0.000 2.495 48 Q HA 0.441 4.781 4.340 0.000 0.000 0.287 48 Q C -2.997 173.015 176.000 0.021 0.000 1.078 48 Q CA -2.148 53.663 55.803 0.012 0.000 0.793 48 Q CB 0.549 29.297 28.738 0.017 0.000 1.459 48 Q HN 0.043 nan 8.270 nan 0.000 0.422 49 P HA 0.054 nan 4.420 nan 0.000 0.268 49 P C -0.289 177.040 177.300 0.048 0.000 1.205 49 P CA 0.052 63.165 63.100 0.021 0.000 0.771 49 P CB 0.229 31.939 31.700 0.016 0.000 0.858 50 T N -0.421 114.164 114.554 0.051 0.000 2.860 50 T HA 0.613 4.963 4.350 0.000 0.000 0.299 50 T C 0.021 174.813 174.700 0.153 0.000 1.045 50 T CA -0.534 61.646 62.100 0.133 0.000 1.071 50 T CB 0.725 69.613 68.868 0.033 0.000 0.985 50 T HN 0.559 nan 8.240 nan 0.000 0.537 51 A N 1.779 124.788 122.820 0.316 0.000 2.593 51 A HA 0.803 5.123 4.320 0.000 0.000 0.290 51 A C -2.984 174.868 177.584 0.447 0.000 1.126 51 A CA -2.145 50.052 52.037 0.265 0.000 0.695 51 A CB 0.706 19.811 19.000 0.175 0.000 1.290 51 A HN 0.673 nan 8.150 nan 0.000 0.414 52 P HA 0.101 nan 4.420 nan 0.000 0.262 52 P C 1.237 178.687 177.300 0.250 0.000 1.182 52 P CA 0.975 64.294 63.100 0.366 0.000 0.761 52 P CB 0.447 32.281 31.700 0.223 0.000 0.795 53 G N 3.120 112.026 108.800 0.178 0.000 2.556 53 G HA2 -0.351 3.609 3.960 0.000 0.000 0.220 53 G HA3 -0.351 3.609 3.960 0.000 0.000 0.220 53 G C 1.576 176.485 174.900 0.015 0.000 1.156 53 G CA 1.318 46.426 45.100 0.015 0.000 0.766 53 G HN 0.605 nan 8.290 nan 0.000 0.583 54 S N -0.130 115.582 115.700 0.021 0.000 2.515 54 S HA 0.177 4.648 4.470 0.000 0.000 0.231 54 S C 2.171 176.785 174.600 0.024 0.000 0.987 54 S CA 0.758 58.959 58.200 0.001 0.000 0.936 54 S CB -0.131 63.060 63.200 -0.015 0.000 0.766 54 S HN 0.334 nan 8.310 nan 0.000 0.528 55 L N -0.264 120.989 121.223 0.051 0.000 2.298 55 L HA 0.288 4.628 4.340 0.000 0.000 0.209 55 L C 2.609 179.509 176.870 0.050 0.000 1.084 55 L CA 0.649 55.520 54.840 0.051 0.000 0.816 55 L CB -0.315 41.783 42.059 0.066 0.000 0.967 55 L HN 0.246 nan 8.230 nan 0.000 0.460 56 K N 1.573 122.012 120.400 0.066 0.000 2.116 56 K HA 0.052 4.372 4.320 0.000 0.000 0.203 56 K C 0.687 177.313 176.600 0.043 0.000 1.052 56 K CA 1.249 57.575 56.287 0.065 0.000 0.952 56 K CB 0.157 32.714 32.500 0.094 0.000 0.729 56 K HN 0.132 nan 8.250 nan 0.000 0.446 57 A N 0.841 123.677 122.820 0.028 0.000 3.370 57 A HA 0.339 4.659 4.320 0.000 0.000 0.295 57 A C -2.204 175.380 177.584 0.000 0.000 1.030 57 A CA -0.885 51.163 52.037 0.020 0.000 0.883 57 A CB 0.638 19.650 19.000 0.021 0.000 1.191 57 A HN 0.156 nan 8.150 nan 0.000 0.507 58 P HA -0.109 nan 4.420 nan 0.000 0.223 58 P C 0.151 177.444 177.300 -0.012 0.000 1.151 58 P CA 1.074 64.171 63.100 -0.006 0.000 0.787 58 P CB 0.347 32.048 31.700 0.003 0.000 0.788 59 D N -0.623 119.774 120.400 -0.005 0.000 2.348 59 D HA 0.006 4.646 4.640 0.000 0.000 0.211 59 D C 0.450 176.738 176.300 -0.021 0.000 0.998 59 D CA 0.598 54.592 54.000 -0.009 0.000 0.873 59 D CB -0.359 40.442 40.800 0.002 0.000 0.925 59 D HN 0.156 nan 8.370 nan 0.000 0.524 60 T N 2.663 117.201 114.554 -0.026 0.000 2.870 60 T HA 0.243 4.593 4.350 0.000 0.000 0.300 60 T C 0.641 175.297 174.700 -0.073 0.000 0.989 60 T CA -0.147 61.923 62.100 -0.049 0.000 1.139 60 T CB 1.241 70.074 68.868 -0.059 0.000 0.920 60 T HN 0.133 nan 8.240 nan 0.000 0.537 61 R N 1.808 122.257 120.500 -0.086 0.000 2.734 61 R HA 0.545 4.885 4.340 0.000 0.000 0.271 61 R C -1.624 174.617 176.300 -0.099 0.000 1.021 61 R CA -0.894 55.151 56.100 -0.093 0.000 0.893 61 R CB 1.265 31.518 30.300 -0.077 0.000 1.244 61 R HN 0.769 nan 8.270 nan 0.000 0.464 62 N N -1.531 117.116 118.700 -0.088 0.000 3.106 62 N HA 0.108 4.848 4.740 0.000 0.000 0.253 62 N C -0.002 175.470 175.510 -0.064 0.000 1.506 62 N CA -0.599 52.411 53.050 -0.065 0.000 0.876 62 N CB 0.615 39.094 38.487 -0.012 0.000 1.452 62 N HN 0.693 nan 8.380 nan 0.000 0.542 63 E N -0.488 119.689 120.200 -0.039 0.000 2.110 63 E HA -0.239 4.111 4.350 0.000 0.000 0.193 63 E C 0.945 177.480 176.600 -0.107 0.000 0.988 63 E CA 1.348 57.719 56.400 -0.049 0.000 0.804 63 E CB 0.107 29.803 29.700 -0.006 0.000 0.745 63 E HN 0.478 nan 8.360 nan 0.000 0.458 64 K N 0.692 120.997 120.400 -0.158 0.000 2.062 64 K HA -0.052 4.268 4.320 0.000 0.000 0.205 64 K C 2.089 178.545 176.600 -0.239 0.000 1.051 64 K CA 0.941 57.039 56.287 -0.314 0.000 0.941 64 K CB -0.371 31.779 32.500 -0.584 0.000 0.719 64 K HN 0.138 nan 8.250 nan 0.000 0.440 65 L N 0.996 122.100 121.223 -0.199 0.000 2.079 65 L HA -0.220 4.120 4.340 0.000 0.000 0.210 65 L C 1.792 178.563 176.870 -0.165 0.000 1.081 65 L CA 1.304 56.002 54.840 -0.236 0.000 0.752 65 L CB -0.673 41.234 42.059 -0.253 0.000 0.896 65 L HN 0.244 nan 8.230 nan 0.000 0.433 66 N N -0.151 118.474 118.700 -0.126 0.000 2.166 66 N HA -0.151 4.589 4.740 0.000 0.000 0.186 66 N C 2.006 177.461 175.510 -0.091 0.000 1.019 66 N CA 1.708 54.701 53.050 -0.094 0.000 0.856 66 N CB -0.496 37.948 38.487 -0.071 0.000 0.993 66 N HN 0.381 nan 8.380 nan 0.000 0.426 67 S N 0.272 115.909 115.700 -0.106 0.000 2.515 67 S HA 0.093 4.563 4.470 0.000 0.000 0.231 67 S C 1.779 176.320 174.600 -0.099 0.000 0.987 67 S CA 0.194 58.338 58.200 -0.093 0.000 0.936 67 S CB -0.446 62.696 63.200 -0.096 0.000 0.766 67 S HN 0.217 nan 8.310 nan 0.000 0.528 68 L N 0.759 121.911 121.223 -0.119 0.000 2.552 68 L HA 0.150 4.490 4.340 0.000 0.000 0.227 68 L C 2.660 179.484 176.870 -0.076 0.000 1.146 68 L CA 0.577 55.354 54.840 -0.105 0.000 0.858 68 L CB -0.423 41.559 42.059 -0.129 0.000 0.969 68 L HN 0.259 nan 8.230 nan 0.000 0.451 69 E N 1.306 121.464 120.200 -0.069 0.000 2.118 69 E HA -0.270 4.080 4.350 0.000 0.000 0.195 69 E C 1.665 178.244 176.600 -0.035 0.000 0.992 69 E CA 1.734 58.105 56.400 -0.049 0.000 0.804 69 E CB -0.097 29.577 29.700 -0.044 0.000 0.741 69 E HN 0.598 nan 8.360 nan 0.000 0.458 70 D N -0.571 119.808 120.400 -0.036 0.000 2.263 70 D HA -0.141 4.499 4.640 0.000 0.000 0.208 70 D C 1.654 177.939 176.300 -0.026 0.000 0.971 70 D CA 1.557 55.541 54.000 -0.028 0.000 0.867 70 D CB -0.386 40.397 40.800 -0.028 0.000 0.929 70 D HN 0.305 nan 8.370 nan 0.000 0.492 71 V N -3.580 116.317 119.914 -0.029 0.000 3.661 71 V HA 0.308 4.429 4.120 0.000 0.000 0.271 71 V C 0.977 177.061 176.094 -0.017 0.000 1.315 71 V CA -0.598 61.689 62.300 -0.022 0.000 1.072 71 V CB -0.583 31.227 31.823 -0.021 0.000 0.830 71 V HN -0.147 nan 8.190 nan 0.000 0.443 72 R N 2.073 122.561 120.500 -0.020 0.000 2.590 72 R HA 0.414 4.754 4.340 0.000 0.000 0.274 72 R C -0.378 175.916 176.300 -0.009 0.000 1.061 72 R CA 0.241 56.335 56.100 -0.009 0.000 1.081 72 R CB 0.534 30.828 30.300 -0.010 0.000 0.984 72 R HN 0.468 nan 8.270 nan 0.000 0.448 73 K N 0.924 121.321 120.400 -0.005 0.000 2.324 73 K HA 0.323 4.643 4.320 0.000 0.000 0.253 73 K C 0.212 176.814 176.600 0.004 0.000 0.932 73 K CA -0.607 55.664 56.287 -0.027 0.000 0.799 73 K CB 2.362 34.830 32.500 -0.054 0.000 1.154 73 K HN 0.691 nan 8.250 nan 0.000 0.425 74 G N 0.202 109.012 108.800 0.016 0.000 2.666 74 G HA2 0.253 4.213 3.960 0.000 0.000 0.207 74 G HA3 0.253 4.213 3.960 0.000 0.000 0.207 74 G C 0.566 175.531 174.900 0.108 0.000 1.481 74 G CA 0.497 45.659 45.100 0.103 0.000 1.071 74 G HN 0.679 nan 8.290 nan 0.000 0.572 75 S N -2.912 112.947 115.700 0.266 0.000 1.687 75 S HA 0.026 4.496 4.470 0.000 0.000 0.152 75 S C 0.128 174.915 174.600 0.313 0.000 0.619 75 S CA 0.086 58.458 58.200 0.286 0.000 1.520 75 S CB -0.402 62.880 63.200 0.135 0.000 0.855 75 S HN 0.474 nan 8.310 nan 0.000 0.296 76 E N 2.955 123.263 120.200 0.181 0.000 2.465 76 E HA 0.261 4.611 4.350 0.000 0.000 0.260 76 E C -0.156 176.393 176.600 -0.086 0.000 0.980 76 E CA 0.433 56.869 56.400 0.060 0.000 0.927 76 E CB 0.048 29.769 29.700 0.035 0.000 0.934 76 E HN 0.443 nan 8.360 nan 0.000 0.459 77 N N 0.867 119.509 118.700 -0.097 0.000 2.909 77 N HA -0.216 4.524 4.740 0.000 0.000 0.242 77 N C -1.034 174.310 175.510 -0.276 0.000 0.975 77 N CA 1.075 54.010 53.050 -0.193 0.000 0.921 77 N CB -1.324 37.009 38.487 -0.256 0.000 1.112 77 N HN 0.382 nan 8.380 nan 0.000 0.581 78 Y N 0.767 121.072 120.300 0.008 0.000 2.376 78 Y HA 0.593 5.143 4.550 0.000 0.000 0.325 78 Y C 0.997 176.899 175.900 0.004 0.000 1.199 78 Y CA -0.502 57.602 58.100 0.006 0.000 1.206 78 Y CB 0.922 39.386 38.460 0.007 0.000 1.229 78 Y HN 0.123 nan 8.280 nan 0.000 0.480 79 A N 2.829 125.770 122.820 0.201 0.000 2.440 79 A HA 0.368 4.688 4.320 0.000 0.000 0.251 79 A C -0.657 176.981 177.584 0.090 0.000 1.089 79 A CA -0.549 51.553 52.037 0.108 0.000 0.779 79 A CB -0.122 18.928 19.000 0.083 0.000 1.022 79 A HN 0.723 nan 8.150 nan 0.000 0.492 80 L N 3.884 125.139 121.223 0.054 0.000 2.477 80 L HA 0.446 4.786 4.340 0.000 0.000 0.272 80 L C 0.686 177.565 176.870 0.014 0.000 1.157 80 L CA 1.212 56.068 54.840 0.027 0.000 0.889 80 L CB 0.013 42.080 42.059 0.012 0.000 1.158 80 L HN 0.889 nan 8.230 nan 0.000 0.473 81 T N 0.571 115.127 114.554 0.004 0.000 2.831 81 T HA 0.711 5.061 4.350 0.000 0.000 0.287 81 T C 0.259 174.956 174.700 -0.005 0.000 1.070 81 T CA -0.164 61.939 62.100 0.005 0.000 1.010 81 T CB 1.065 69.939 68.868 0.011 0.000 1.264 81 T HN 0.756 nan 8.240 nan 0.000 0.532 82 T N -0.069 114.493 114.554 0.014 0.000 2.732 82 T HA 0.286 4.636 4.350 0.000 0.000 0.287 82 T C 0.987 175.696 174.700 0.016 0.000 0.993 82 T CA -0.655 61.457 62.100 0.021 0.000 0.966 82 T CB -0.011 68.906 68.868 0.081 0.000 1.047 82 T HN 0.548 nan 8.240 nan 0.000 0.527 83 N N 0.436 119.147 118.700 0.018 0.000 2.512 83 N HA -0.050 4.690 4.740 0.000 0.000 0.183 83 N C 1.420 176.946 175.510 0.028 0.000 1.073 83 N CA 0.475 53.531 53.050 0.010 0.000 0.911 83 N CB -0.128 38.370 38.487 0.018 0.000 0.964 83 N HN 0.537 nan 8.380 nan 0.000 0.447 84 Q N -0.593 119.237 119.800 0.050 0.000 2.319 84 Q HA 0.208 4.548 4.340 0.000 0.000 0.202 84 Q C 0.726 176.749 176.000 0.038 0.000 0.896 84 Q CA 0.065 55.896 55.803 0.046 0.000 0.942 84 Q CB 0.452 29.226 28.738 0.060 0.000 1.083 84 Q HN 0.353 nan 8.270 nan 0.000 0.510 85 G N 0.644 109.464 108.800 0.033 0.000 2.137 85 G HA2 -0.230 3.730 3.960 0.000 0.000 0.237 85 G HA3 -0.230 3.730 3.960 0.000 0.000 0.237 85 G C 0.012 174.939 174.900 0.044 0.000 1.002 85 G CA 0.146 45.262 45.100 0.027 0.000 0.702 85 G HN 0.210 nan 8.290 nan 0.000 0.515 86 V N 1.291 121.246 119.914 0.069 0.000 2.465 86 V HA 0.421 4.541 4.120 0.000 0.000 0.279 86 V C 1.250 177.379 176.094 0.060 0.000 1.045 86 V CA -0.654 61.697 62.300 0.086 0.000 0.938 86 V CB 1.186 33.107 31.823 0.162 0.000 0.986 86 V HN 0.438 nan 8.190 nan 0.000 0.467 87 R N 4.213 124.743 120.500 0.049 0.000 2.594 87 R HA 0.474 4.814 4.340 0.000 0.000 0.272 87 R C -0.630 175.682 176.300 0.020 0.000 1.074 87 R CA -0.279 55.841 56.100 0.033 0.000 1.105 87 R CB 0.729 31.049 30.300 0.033 0.000 1.008 87 R HN 0.559 nan 8.270 nan 0.000 0.472 88 I N 1.706 122.276 120.570 0.001 0.000 2.336 88 I HA 0.144 4.314 4.170 0.000 0.000 0.292 88 I C 0.887 176.994 176.117 -0.016 0.000 0.991 88 I CA -0.083 61.203 61.300 -0.023 0.000 1.227 88 I CB 1.908 39.883 38.000 -0.042 0.000 1.366 88 I HN 0.791 nan 8.210 nan 0.000 0.466 89 A N 4.251 127.059 122.820 -0.019 0.000 1.878 89 A HA -0.017 4.303 4.320 0.000 0.000 0.213 89 A C 0.751 178.322 177.584 -0.022 0.000 1.192 89 A CA 0.993 53.022 52.037 -0.014 0.000 0.619 89 A CB 0.023 19.018 19.000 -0.008 0.000 0.837 89 A HN 0.681 nan 8.150 nan 0.000 0.446 90 D N -0.510 119.870 120.400 -0.034 0.000 2.453 90 D HA 0.345 4.985 4.640 0.000 0.000 0.238 90 D C -1.241 175.030 176.300 -0.048 0.000 1.088 90 D CA -0.374 53.605 54.000 -0.036 0.000 0.854 90 D CB 1.298 42.078 40.800 -0.034 0.000 1.076 90 D HN 0.077 nan 8.370 nan 0.000 0.533 91 D N 2.078 122.452 120.400 -0.043 0.000 2.358 91 D HA 0.039 4.679 4.640 0.000 0.000 0.224 91 D C 0.677 176.948 176.300 -0.049 0.000 1.123 91 D CA 0.262 54.232 54.000 -0.050 0.000 0.833 91 D CB 0.520 41.295 40.800 -0.042 0.000 0.946 91 D HN 0.244 nan 8.370 nan 0.000 0.505 92 Q N -0.585 119.188 119.800 -0.045 0.000 2.281 92 Q HA 0.265 4.606 4.340 0.000 0.000 0.215 92 Q C -0.116 175.856 176.000 -0.047 0.000 0.867 92 Q CA 0.232 56.009 55.803 -0.044 0.000 0.940 92 Q CB 0.759 29.476 28.738 -0.035 0.000 1.111 92 Q HN 0.217 nan 8.270 nan 0.000 0.513 93 N N 0.003 118.673 118.700 -0.049 0.000 2.329 93 N HA 0.323 5.063 4.740 0.000 0.000 0.282 93 N C -0.996 174.482 175.510 -0.054 0.000 1.198 93 N CA -0.287 52.735 53.050 -0.047 0.000 0.790 93 N CB 2.048 40.513 38.487 -0.037 0.000 1.579 93 N HN -0.175 nan 8.380 nan 0.000 0.475 94 S N 0.651 116.322 115.700 -0.048 0.000 2.632 94 S HA 0.330 4.800 4.470 0.000 0.000 0.271 94 S C 0.099 174.676 174.600 -0.038 0.000 1.260 94 S CA -0.630 57.541 58.200 -0.048 0.000 1.010 94 S CB 0.919 64.096 63.200 -0.040 0.000 0.965 94 S HN 0.387 nan 8.310 nan 0.000 0.534 95 L N 3.289 124.490 121.223 -0.036 0.000 2.361 95 L HA 0.355 4.695 4.340 0.000 0.000 0.278 95 L C 0.221 177.086 176.870 -0.009 0.000 1.113 95 L CA 0.489 55.318 54.840 -0.020 0.000 0.849 95 L CB -0.378 41.674 42.059 -0.011 0.000 1.155 95 L HN 0.735 nan 8.230 nan 0.000 0.452 96 R N 4.086 124.582 120.500 -0.007 0.000 2.855 96 R HA 0.879 5.219 4.340 0.000 0.000 0.266 96 R C -1.067 175.233 176.300 0.000 0.000 1.034 96 R CA -0.912 55.186 56.100 -0.003 0.000 0.944 96 R CB 1.084 31.380 30.300 -0.007 0.000 1.219 96 R HN 0.522 nan 8.270 nan 0.000 0.474 97 A N 1.172 123.993 122.820 0.002 0.000 2.666 97 A HA 0.582 4.902 4.320 0.000 0.000 0.312 97 A C 0.560 178.144 177.584 0.001 0.000 1.471 97 A CA 0.250 52.289 52.037 0.003 0.000 1.134 97 A CB -0.922 18.081 19.000 0.005 0.000 1.129 97 A HN 1.224 nan 8.150 nan 0.000 0.539 98 G N 1.118 109.918 108.800 -0.000 0.000 2.705 98 G HA2 0.019 3.979 3.960 0.000 0.000 0.686 98 G HA3 0.019 3.979 3.960 0.000 0.000 0.686 98 G C 0.624 175.522 174.900 -0.004 0.000 1.285 98 G CA 0.031 45.130 45.100 -0.002 0.000 0.800 98 G HN 1.781 nan 8.290 nan 0.000 0.611 99 S N -0.065 115.632 115.700 -0.006 0.000 2.555 99 S HA 0.034 4.504 4.470 0.000 0.000 0.230 99 S C 1.591 176.186 174.600 -0.009 0.000 0.978 99 S CA 1.312 59.507 58.200 -0.008 0.000 0.934 99 S CB 0.156 63.350 63.200 -0.009 0.000 0.766 99 S HN 0.722 nan 8.310 nan 0.000 0.533 100 R N 0.570 121.065 120.500 -0.007 0.000 2.543 100 R HA 0.311 4.651 4.340 0.000 0.000 0.323 100 R C 0.972 177.268 176.300 -0.006 0.000 1.002 100 R CA 0.088 56.183 56.100 -0.007 0.000 1.106 100 R CB 0.767 31.064 30.300 -0.006 0.000 1.280 100 R HN 0.462 nan 8.270 nan 0.000 0.549 101 G N 1.515 110.311 108.800 -0.005 0.000 2.568 101 G HA2 0.368 4.328 3.960 0.000 0.000 0.293 101 G HA3 0.368 4.328 3.960 0.000 0.000 0.293 101 G C -2.486 172.412 174.900 -0.004 0.000 1.347 101 G CA -1.036 44.062 45.100 -0.003 0.000 1.039 101 G HN -0.110 nan 8.290 nan 0.000 0.523 102 P HA 0.239 nan 4.420 nan 0.000 0.275 102 P C -0.150 177.150 177.300 -0.001 0.000 1.227 102 P CA -0.132 62.967 63.100 -0.001 0.000 0.781 102 P CB 0.801 32.502 31.700 0.002 0.000 0.906 103 T N 3.369 117.922 114.554 -0.002 0.000 2.888 103 T HA 0.211 4.561 4.350 0.000 0.000 0.301 103 T C 0.549 175.253 174.700 0.006 0.000 1.001 103 T CA -0.028 62.071 62.100 -0.002 0.000 1.147 103 T CB -0.140 68.724 68.868 -0.006 0.000 0.931 103 T HN 0.172 nan 8.240 nan 0.000 0.541 104 L N 3.622 124.851 121.223 0.010 0.000 2.375 104 L HA 0.305 4.646 4.340 0.000 0.000 0.271 104 L C 1.472 178.359 176.870 0.029 0.000 1.107 104 L CA -0.845 54.007 54.840 0.020 0.000 0.806 104 L CB 0.503 42.576 42.059 0.024 0.000 1.146 104 L HN 0.476 nan 8.230 nan 0.000 0.447 105 L N 1.933 123.176 121.223 0.034 0.000 2.265 105 L HA -0.166 4.174 4.340 0.000 0.000 0.215 105 L C 2.240 179.150 176.870 0.067 0.000 1.117 105 L CA 1.547 56.413 54.840 0.044 0.000 0.782 105 L CB -0.680 41.402 42.059 0.038 0.000 0.914 105 L HN 0.798 nan 8.230 nan 0.000 0.441 106 E N -1.823 118.421 120.200 0.074 0.000 2.511 106 E HA -0.132 4.218 4.350 0.000 0.000 0.196 106 E C 0.175 176.882 176.600 0.178 0.000 1.066 106 E CA 0.084 56.555 56.400 0.118 0.000 0.871 106 E CB -0.389 29.370 29.700 0.099 0.000 0.863 106 E HN 0.315 nan 8.360 nan 0.000 0.520 107 D N 1.281 121.740 120.400 0.100 0.000 2.498 107 D HA -0.037 4.603 4.640 0.000 0.000 0.229 107 D C 0.413 176.727 176.300 0.024 0.000 1.188 107 D CA -0.494 53.524 54.000 0.030 0.000 1.028 107 D CB -0.199 40.586 40.800 -0.025 0.000 1.087 107 D HN 0.322 nan 8.370 nan 0.000 0.510 108 F N 1.825 121.782 119.950 0.013 0.000 2.456 108 F HA 0.094 4.622 4.527 0.000 0.000 0.298 108 F C 1.515 177.327 175.800 0.019 0.000 1.104 108 F CA 0.199 58.210 58.000 0.017 0.000 1.435 108 F CB -0.549 38.461 39.000 0.016 0.000 1.078 108 F HN 0.172 nan 8.300 nan 0.000 0.546 109 I N 0.446 120.512 120.570 -0.841 0.000 2.233 109 I HA -0.177 3.993 4.170 0.000 0.000 0.243 109 I C 2.461 178.444 176.117 -0.224 0.000 1.093 109 I CA 1.072 62.041 61.300 -0.551 0.000 1.380 109 I CB -0.517 37.145 38.000 -0.563 0.000 1.067 109 I HN 0.306 nan 8.210 nan 0.000 0.413 110 L N 1.111 122.229 121.223 -0.175 0.000 2.017 110 L HA -0.159 4.181 4.340 0.000 0.000 0.208 110 L C 2.654 179.508 176.870 -0.028 0.000 1.073 110 L CA 1.769 56.558 54.840 -0.085 0.000 0.745 110 L CB -0.513 41.505 42.059 -0.068 0.000 0.894 110 L HN 0.025 nan 8.230 nan 0.000 0.432 111 R N -0.428 120.074 120.500 0.004 0.000 2.081 111 R HA -0.190 4.150 4.340 0.000 0.000 0.235 111 R C 2.336 178.686 176.300 0.083 0.000 1.131 111 R CA 1.671 57.805 56.100 0.056 0.000 0.960 111 R CB -0.446 29.901 30.300 0.079 0.000 0.856 111 R HN 0.589 nan 8.270 nan 0.000 0.436 112 E N 1.148 121.398 120.200 0.083 0.000 2.051 112 E HA -0.247 4.103 4.350 0.000 0.000 0.192 112 E C 1.978 178.648 176.600 0.117 0.000 0.991 112 E CA 1.315 57.782 56.400 0.111 0.000 0.799 112 E CB 0.086 29.849 29.700 0.105 0.000 0.748 112 E HN 0.161 nan 8.360 nan 0.000 0.449 113 K N 0.317 120.754 120.400 0.062 0.000 2.026 113 K HA -0.157 4.163 4.320 0.000 0.000 0.208 113 K C 2.134 178.812 176.600 0.130 0.000 1.048 113 K CA 1.468 57.796 56.287 0.068 0.000 0.929 113 K CB -0.074 32.424 32.500 -0.002 0.000 0.713 113 K HN 0.142 nan 8.250 nan 0.000 0.439 114 I N 1.428 122.054 120.570 0.092 0.000 2.315 114 I HA -0.197 3.973 4.170 0.000 0.000 0.248 114 I C 2.215 178.458 176.117 0.209 0.000 1.117 114 I CA 1.360 62.734 61.300 0.124 0.000 1.404 114 I CB -1.566 36.465 38.000 0.051 0.000 1.071 114 I HN 0.252 nan 8.210 nan 0.000 0.419 115 T N -0.196 114.473 114.554 0.191 0.000 2.684 115 T HA -0.234 4.116 4.350 0.000 0.000 0.267 115 T C 1.969 176.847 174.700 0.297 0.000 1.036 115 T CA 1.552 63.801 62.100 0.248 0.000 1.148 115 T CB -0.430 68.570 68.868 0.219 0.000 0.863 115 T HN 0.359 nan 8.240 nan 0.000 0.436 116 H N -0.200 118.975 119.070 0.175 0.000 2.321 116 H HA -0.077 4.479 4.556 0.000 0.000 0.300 116 H C 2.240 177.630 175.328 0.104 0.000 1.087 116 H CA 1.708 57.837 56.048 0.134 0.000 1.319 116 H CB -0.499 29.316 29.762 0.088 0.000 1.379 116 H HN 0.366 nan 8.280 nan 0.000 0.501 117 F N 2.245 122.275 119.950 0.133 0.000 2.043 117 F HA -0.281 4.247 4.527 0.000 0.000 0.297 117 F C 2.173 177.938 175.800 -0.059 0.000 1.118 117 F CA 2.173 60.192 58.000 0.032 0.000 1.202 117 F CB -0.503 38.505 39.000 0.013 0.000 0.965 117 F HN 0.126 nan 8.300 nan 0.000 0.482 118 D N -1.071 119.320 120.400 -0.016 0.000 2.190 118 D HA -0.191 4.449 4.640 0.000 0.000 0.200 118 D C 1.282 177.257 176.300 -0.542 0.000 0.992 118 D CA 1.503 55.330 54.000 -0.289 0.000 0.854 118 D CB -0.516 40.101 40.800 -0.306 0.000 0.936 118 D HN 0.515 nan 8.370 nan 0.000 0.462 119 H N 0.046 119.008 119.070 -0.180 0.000 2.524 119 H HA 0.232 4.788 4.556 0.000 0.000 0.297 119 H C 0.763 175.921 175.328 -0.283 0.000 1.115 119 H CA -0.028 55.899 56.048 -0.201 0.000 1.027 119 H CB 0.334 29.997 29.762 -0.166 0.000 1.591 119 H HN 0.302 nan 8.280 nan 0.000 0.543 120 E N 0.576 120.610 120.200 -0.277 0.000 2.230 120 E HA 0.007 4.357 4.350 0.000 0.000 0.192 120 E C 0.547 176.984 176.600 -0.272 0.000 0.987 120 E CA 0.303 56.502 56.400 -0.334 0.000 0.841 120 E CB 0.584 30.055 29.700 -0.381 0.000 0.783 120 E HN 0.212 nan 8.360 nan 0.000 0.481 121 R N 1.346 121.750 120.500 -0.161 0.000 2.500 121 R HA 0.435 4.775 4.340 0.000 0.000 0.277 121 R C 0.411 176.740 176.300 0.047 0.000 1.026 121 R CA -0.346 55.733 56.100 -0.035 0.000 1.058 121 R CB 1.083 31.356 30.300 -0.045 0.000 1.078 121 R HN 0.115 nan 8.270 nan 0.000 0.509 122 I N -1.439 119.214 120.570 0.139 0.000 2.892 122 I HA 0.560 4.730 4.170 0.000 0.000 0.306 122 I C -2.365 173.803 176.117 0.086 0.000 1.078 122 I CA -3.001 58.372 61.300 0.121 0.000 1.032 122 I CB 1.970 40.070 38.000 0.167 0.000 1.229 122 I HN 0.240 nan 8.210 nan 0.000 0.435 123 P HA 0.105 nan 4.420 nan 0.000 0.265 123 P C -0.791 176.533 177.300 0.039 0.000 1.193 123 P CA 0.016 63.136 63.100 0.034 0.000 0.765 123 P CB 0.411 32.121 31.700 0.017 0.000 0.823 124 E N 2.629 122.854 120.200 0.042 0.000 2.391 124 E HA 0.158 4.508 4.350 0.000 0.000 0.255 124 E C -0.361 176.260 176.600 0.035 0.000 1.187 124 E CA -0.805 55.626 56.400 0.051 0.000 0.941 124 E CB 0.572 30.304 29.700 0.054 0.000 1.010 124 E HN 0.247 nan 8.360 nan 0.000 0.458 125 R N 0.677 121.203 120.500 0.044 0.000 2.585 125 R HA -0.020 4.320 4.340 0.000 0.000 0.275 125 R C 1.171 177.493 176.300 0.037 0.000 1.018 125 R CA -0.019 56.102 56.100 0.034 0.000 1.072 125 R CB 0.216 30.556 30.300 0.067 0.000 0.953 125 R HN 0.661 nan 8.270 nan 0.000 0.419 126 I N 3.788 124.369 120.570 0.019 0.000 2.194 126 I HA -0.232 3.938 4.170 0.000 0.000 0.246 126 I C 0.396 176.552 176.117 0.064 0.000 1.093 126 I CA 1.609 62.929 61.300 0.034 0.000 1.355 126 I CB 0.312 38.329 38.000 0.029 0.000 1.046 126 I HN 0.390 nan 8.210 nan 0.000 0.413 127 V N -3.079 116.902 119.914 0.112 0.000 3.007 127 V HA 0.477 4.597 4.120 0.000 0.000 0.311 127 V C -0.153 176.096 176.094 0.257 0.000 1.120 127 V CA -0.754 61.646 62.300 0.166 0.000 0.980 127 V CB 1.488 33.484 31.823 0.288 0.000 1.033 127 V HN 0.432 nan 8.190 nan 0.000 0.429 128 H N 1.054 120.180 119.070 0.093 0.000 2.886 128 H HA -0.194 4.363 4.556 0.000 0.000 0.294 128 H C 1.393 176.761 175.328 0.067 0.000 1.246 128 H CA 0.747 56.845 56.048 0.083 0.000 1.142 128 H CB -1.207 28.596 29.762 0.068 0.000 1.358 128 H HN 1.197 nan 8.280 nan 0.000 0.406 129 A N 0.661 123.561 122.820 0.132 0.000 2.014 129 A HA -0.054 4.266 4.320 0.000 0.000 0.218 129 A C 1.677 179.344 177.584 0.139 0.000 1.163 129 A CA 1.042 53.148 52.037 0.116 0.000 0.652 129 A CB 0.029 19.077 19.000 0.079 0.000 0.808 129 A HN 0.232 nan 8.150 nan 0.000 0.449 130 R N 0.420 121.002 120.500 0.135 0.000 2.196 130 R HA 0.514 4.855 4.340 0.000 0.000 0.340 130 R C -0.192 176.228 176.300 0.200 0.000 1.043 130 R CA 0.612 56.811 56.100 0.164 0.000 0.883 130 R CB 0.109 30.489 30.300 0.135 0.000 1.078 130 R HN 0.316 nan 8.270 nan 0.000 0.462 131 G N 0.914 109.856 108.800 0.236 0.000 2.673 131 G HA2 0.473 4.433 3.960 0.000 0.000 0.292 131 G HA3 0.473 4.433 3.960 0.000 0.000 0.292 131 G C -1.622 173.429 174.900 0.252 0.000 1.450 131 G CA -0.625 44.591 45.100 0.193 0.000 0.837 131 G HN 0.458 nan 8.290 nan 0.000 0.505 132 S N -0.676 115.132 115.700 0.181 0.000 2.532 132 S HA 0.862 5.332 4.470 0.000 0.000 0.299 132 S C 0.136 174.738 174.600 0.003 0.000 1.105 132 S CA -0.179 58.163 58.200 0.236 0.000 1.018 132 S CB 1.655 65.111 63.200 0.428 0.000 1.021 132 S HN 1.374 nan 8.310 nan 0.000 0.483 133 A N 1.913 124.673 122.820 -0.100 0.000 2.387 133 A HA 1.059 5.379 4.320 0.000 0.000 0.298 133 A C -0.627 176.744 177.584 -0.355 0.000 1.165 133 A CA -0.772 50.998 52.037 -0.445 0.000 0.814 133 A CB 1.434 19.954 19.000 -0.800 0.000 1.357 133 A HN 1.406 nan 8.150 nan 0.000 0.443 134 A N -0.381 122.044 122.820 -0.659 0.000 2.608 134 A HA 0.642 4.963 4.320 0.000 0.000 0.292 134 A C -1.169 176.209 177.584 -0.344 0.000 1.066 134 A CA -0.668 51.175 52.037 -0.323 0.000 0.676 134 A CB 0.517 19.423 19.000 -0.155 0.000 1.277 134 A HN 0.868 nan 8.150 nan 0.000 0.413 135 H N -0.285 118.779 119.070 -0.009 0.000 2.505 135 H HA 0.671 5.227 4.556 0.000 0.000 0.351 135 H C 0.637 175.960 175.328 -0.008 0.000 1.151 135 H CA 0.901 57.012 56.048 0.105 0.000 1.339 135 H CB 1.853 31.687 29.762 0.120 0.000 1.483 135 H HN 1.148 nan 8.280 nan 0.000 0.558 136 G N 0.732 109.628 108.800 0.159 0.000 2.578 136 G HA2 0.369 4.329 3.960 0.000 0.000 0.302 136 G HA3 0.369 4.329 3.960 0.000 0.000 0.302 136 G C -2.038 173.008 174.900 0.244 0.000 1.243 136 G CA -0.657 44.505 45.100 0.104 0.000 0.843 136 G HN 0.627 nan 8.290 nan 0.000 0.486 137 Y N -1.712 118.635 120.300 0.077 0.000 2.597 137 Y HA 0.827 5.377 4.550 0.000 0.000 0.340 137 Y C -1.695 174.352 175.900 0.246 0.000 1.097 137 Y CA -1.966 56.227 58.100 0.154 0.000 1.037 137 Y CB 1.820 40.340 38.460 0.100 0.000 1.305 137 Y HN 0.806 nan 8.280 nan 0.000 0.463 138 F N 2.389 122.496 119.950 0.262 0.000 2.561 138 F HA 0.716 5.243 4.527 0.000 0.000 0.321 138 F C -1.210 174.781 175.800 0.318 0.000 1.065 138 F CA -0.644 57.513 58.000 0.263 0.000 0.934 138 F CB 2.335 41.636 39.000 0.502 0.000 1.215 138 F HN 0.798 nan 8.300 nan 0.000 0.471 139 Q N 6.568 125.701 119.800 -1.112 0.000 2.281 139 Q HA 0.450 4.790 4.340 0.000 0.000 0.263 139 Q C -3.008 172.310 176.000 -1.137 0.000 0.989 139 Q CA -2.315 53.035 55.803 -0.754 0.000 0.852 139 Q CB 2.952 31.593 28.738 -0.162 0.000 1.337 139 Q HN 0.355 nan 8.270 nan 0.000 0.418 140 P HA 0.060 nan 4.420 nan 0.000 0.274 140 P C -0.446 176.711 177.300 -0.239 0.000 1.231 140 P CA 0.117 62.963 63.100 -0.424 0.000 0.790 140 P CB 0.520 32.153 31.700 -0.111 0.000 0.951 141 Y N 0.879 121.115 120.300 -0.106 0.000 2.263 141 Y HA -0.072 4.478 4.550 0.000 0.000 0.292 141 Y C 1.426 177.296 175.900 -0.050 0.000 1.130 141 Y CA 0.587 58.645 58.100 -0.069 0.000 1.179 141 Y CB 0.205 38.633 38.460 -0.054 0.000 0.998 141 Y HN 0.365 nan 8.280 nan 0.000 0.532 142 K N -1.144 119.312 120.400 0.093 0.000 2.579 142 K HA 0.376 4.696 4.320 0.000 0.000 0.284 142 K C -0.954 175.648 176.600 0.003 0.000 0.990 142 K CA -0.939 55.374 56.287 0.044 0.000 0.880 142 K CB 1.445 33.973 32.500 0.046 0.000 1.488 142 K HN -0.227 nan 8.250 nan 0.000 0.425 143 S N 0.927 116.627 115.700 -0.001 0.000 2.533 143 S HA 0.154 4.624 4.470 0.000 0.000 0.282 143 S C 0.362 174.948 174.600 -0.023 0.000 1.304 143 S CA -0.624 57.567 58.200 -0.016 0.000 1.063 143 S CB -0.158 63.037 63.200 -0.009 0.000 0.881 143 S HN 0.572 nan 8.310 nan 0.000 0.493 144 L N 4.760 125.958 121.223 -0.042 0.000 2.872 144 L HA 0.140 4.480 4.340 0.000 0.000 0.245 144 L C 2.081 178.932 176.870 -0.033 0.000 1.211 144 L CA 0.034 54.855 54.840 -0.032 0.000 1.013 144 L CB -0.208 41.833 42.059 -0.030 0.000 1.326 144 L HN 0.891 nan 8.230 nan 0.000 0.525 145 S N -1.639 114.042 115.700 -0.033 0.000 2.440 145 S HA -0.200 4.270 4.470 0.000 0.000 0.238 145 S C 1.299 175.881 174.600 -0.030 0.000 1.010 145 S CA 1.152 59.332 58.200 -0.034 0.000 0.972 145 S CB -0.153 63.032 63.200 -0.025 0.000 0.774 145 S HN 0.403 nan 8.310 nan 0.000 0.501 146 D N 2.095 122.482 120.400 -0.022 0.000 2.178 146 D HA -0.028 4.612 4.640 0.000 0.000 0.201 146 D C 1.885 178.166 176.300 -0.030 0.000 0.980 146 D CA 1.609 55.596 54.000 -0.022 0.000 0.842 146 D CB -0.199 40.593 40.800 -0.013 0.000 0.948 146 D HN 0.800 nan 8.370 nan 0.000 0.472 147 I N -3.718 116.835 120.570 -0.028 0.000 4.187 147 I HA 0.201 4.371 4.170 0.000 0.000 0.326 147 I C 0.457 176.532 176.117 -0.069 0.000 1.302 147 I CA 0.090 61.364 61.300 -0.043 0.000 1.196 147 I CB 1.072 39.066 38.000 -0.011 0.000 1.095 147 I HN -0.245 nan 8.210 nan 0.000 0.411 148 T N 1.686 116.201 114.554 -0.064 0.000 2.956 148 T HA 0.340 4.690 4.350 0.000 0.000 0.312 148 T C -0.064 174.585 174.700 -0.085 0.000 1.151 148 T CA -0.721 61.324 62.100 -0.093 0.000 1.024 148 T CB 1.825 70.629 68.868 -0.106 0.000 1.140 148 T HN 0.432 nan 8.240 nan 0.000 0.473 149 K N 2.363 122.710 120.400 -0.089 0.000 2.410 149 K HA 0.587 4.907 4.320 0.000 0.000 0.200 149 K C 0.639 177.205 176.600 -0.057 0.000 1.023 149 K CA -0.428 55.819 56.287 -0.066 0.000 1.149 149 K CB 0.334 32.798 32.500 -0.060 0.000 0.859 149 K HN 0.465 nan 8.250 nan 0.000 0.514 150 A N 2.053 124.824 122.820 -0.083 0.000 2.515 150 A HA -0.028 4.292 4.320 0.000 0.000 0.263 150 A C 0.542 178.113 177.584 -0.021 0.000 1.096 150 A CA -0.065 51.943 52.037 -0.049 0.000 0.769 150 A CB 0.045 18.983 19.000 -0.103 0.000 1.040 150 A HN 0.452 nan 8.150 nan 0.000 0.505 151 D N 2.300 122.741 120.400 0.068 0.000 2.158 151 D HA -0.257 4.383 4.640 0.000 0.000 0.197 151 D C 1.342 177.727 176.300 0.142 0.000 0.995 151 D CA 2.345 56.399 54.000 0.090 0.000 0.846 151 D CB -0.245 40.622 40.800 0.111 0.000 0.941 151 D HN 0.757 nan 8.370 nan 0.000 0.456 152 F N -0.732 119.232 119.950 0.023 0.000 2.546 152 F HA 0.136 4.663 4.527 0.000 0.000 0.298 152 F C 1.004 176.884 175.800 0.133 0.000 1.120 152 F CA 0.404 58.456 58.000 0.086 0.000 1.456 152 F CB -0.141 38.896 39.000 0.062 0.000 1.088 152 F HN -0.051 nan 8.300 nan 0.000 0.572 153 L N 0.689 121.640 121.223 -0.454 0.000 2.857 153 L HA 0.196 4.536 4.340 0.000 0.000 0.249 153 L C 1.957 178.740 176.870 -0.145 0.000 1.172 153 L CA 0.349 54.968 54.840 -0.369 0.000 0.980 153 L CB -0.025 41.704 42.059 -0.551 0.000 1.299 153 L HN 0.280 nan 8.230 nan 0.000 0.535 154 S N -1.994 113.664 115.700 -0.071 0.000 2.562 154 S HA 0.020 4.490 4.470 0.000 0.000 0.221 154 S C 0.367 174.963 174.600 -0.007 0.000 0.975 154 S CA 0.004 58.185 58.200 -0.031 0.000 0.918 154 S CB -0.013 63.184 63.200 -0.006 0.000 0.772 154 S HN 0.402 nan 8.310 nan 0.000 0.531 155 D N 0.236 120.640 120.400 0.005 0.000 2.795 155 D HA 0.249 4.889 4.640 0.000 0.000 0.206 155 D C -2.731 173.582 176.300 0.021 0.000 1.278 155 D CA -1.461 52.549 54.000 0.018 0.000 0.839 155 D CB 1.857 42.676 40.800 0.031 0.000 1.700 155 D HN -0.180 nan 8.370 nan 0.000 0.549 156 P HA -0.059 nan 4.420 nan 0.000 0.221 156 P C 0.697 178.012 177.300 0.025 0.000 1.145 156 P CA 0.759 63.869 63.100 0.017 0.000 0.795 156 P CB 0.434 32.153 31.700 0.032 0.000 0.775 157 N N -0.467 118.252 118.700 0.033 0.000 2.424 157 N HA -0.024 4.716 4.740 0.000 0.000 0.178 157 N C 0.743 176.284 175.510 0.053 0.000 1.060 157 N CA 0.322 53.394 53.050 0.037 0.000 0.901 157 N CB -0.046 38.460 38.487 0.032 0.000 0.979 157 N HN 0.241 nan 8.380 nan 0.000 0.451 158 K N 1.737 122.178 120.400 0.068 0.000 2.363 158 K HA 0.116 4.436 4.320 0.000 0.000 0.289 158 K C -0.333 176.358 176.600 0.152 0.000 1.063 158 K CA -0.209 56.143 56.287 0.108 0.000 0.967 158 K CB 0.152 32.726 32.500 0.124 0.000 0.987 158 K HN 0.062 nan 8.250 nan 0.000 0.473 159 I N 1.830 122.495 120.570 0.158 0.000 2.377 159 I HA 0.313 4.483 4.170 0.000 0.000 0.293 159 I C -0.902 175.388 176.117 0.288 0.000 0.987 159 I CA 0.155 61.585 61.300 0.217 0.000 1.185 159 I CB 2.176 40.264 38.000 0.148 0.000 1.341 159 I HN 0.349 nan 8.210 nan 0.000 0.455 160 T N 8.220 123.034 114.554 0.433 0.000 2.770 160 T HA 0.502 4.852 4.350 0.000 0.000 0.283 160 T C -2.633 172.336 174.700 0.449 0.000 0.988 160 T CA -1.134 61.243 62.100 0.461 0.000 0.957 160 T CB 1.272 70.514 68.868 0.623 0.000 0.930 160 T HN 0.464 nan 8.240 nan 0.000 0.443 161 P HA 0.314 nan 4.420 nan 0.000 0.276 161 P C -0.562 176.992 177.300 0.424 0.000 1.230 161 P CA -0.461 62.841 63.100 0.336 0.000 0.776 161 P CB 0.632 32.446 31.700 0.190 0.000 0.888 162 V N 0.723 120.818 119.914 0.302 0.000 3.074 162 V HA 0.750 4.870 4.120 0.000 0.000 0.314 162 V C -1.279 174.956 176.094 0.235 0.000 1.117 162 V CA -1.045 61.330 62.300 0.123 0.000 1.014 162 V CB 2.224 33.914 31.823 -0.222 0.000 1.057 162 V HN 0.327 nan 8.190 nan 0.000 0.438 163 F N 1.836 121.744 119.950 -0.070 0.000 2.547 163 F HA 0.848 5.375 4.527 0.000 0.000 0.316 163 F C -0.964 174.726 175.800 -0.183 0.000 1.121 163 F CA -0.705 57.199 58.000 -0.160 0.000 0.911 163 F CB 2.059 40.968 39.000 -0.151 0.000 1.179 163 F HN 0.517 nan 8.300 nan 0.000 0.443 164 V N 6.552 125.978 119.914 -0.813 0.000 2.531 164 V HA 0.552 4.672 4.120 0.000 0.000 0.301 164 V C -0.796 174.631 176.094 -1.111 0.000 1.034 164 V CA -0.823 60.957 62.300 -0.868 0.000 0.865 164 V CB 1.949 33.224 31.823 -0.914 0.000 0.995 164 V HN 0.753 nan 8.190 nan 0.000 0.424 165 R N 3.773 123.620 120.500 -1.088 0.000 2.437 165 R HA 0.662 5.002 4.340 0.000 0.000 0.310 165 R C -1.605 174.067 176.300 -1.046 0.000 0.955 165 R CA -0.418 55.143 56.100 -0.897 0.000 0.851 165 R CB 1.196 31.162 30.300 -0.557 0.000 1.161 165 R HN 0.530 nan 8.270 nan 0.000 0.446 166 F N 2.016 121.557 119.950 -0.682 0.000 2.432 166 F HA 0.535 5.062 4.527 0.000 0.000 0.329 166 F C 0.582 176.032 175.800 -0.584 0.000 1.076 166 F CA -0.019 57.442 58.000 -0.899 0.000 1.018 166 F CB 2.107 40.010 39.000 -1.829 0.000 1.201 166 F HN 0.708 nan 8.300 nan 0.000 0.489 167 S N -0.769 114.852 115.700 -0.133 0.000 2.661 167 S HA 0.679 5.149 4.470 0.000 0.000 0.268 167 S C -0.791 173.961 174.600 0.254 0.000 1.162 167 S CA -0.796 57.483 58.200 0.132 0.000 0.817 167 S CB 1.418 64.736 63.200 0.196 0.000 1.141 167 S HN 0.736 nan 8.310 nan 0.000 0.477 168 T N -1.868 112.811 114.554 0.209 0.000 2.938 168 T HA 0.743 5.093 4.350 0.000 0.000 0.285 168 T C 0.748 175.384 174.700 -0.106 0.000 1.028 168 T CA -0.329 61.848 62.100 0.130 0.000 1.005 168 T CB 1.026 69.974 68.868 0.132 0.000 1.157 168 T HN 0.632 nan 8.240 nan 0.000 0.550 169 V N 0.758 120.564 119.914 -0.179 0.000 2.627 169 V HA 0.035 4.155 4.120 0.000 0.000 0.239 169 V C 2.699 178.699 176.094 -0.158 0.000 1.077 169 V CA 1.237 63.299 62.300 -0.396 0.000 1.103 169 V CB -0.347 31.384 31.823 -0.154 0.000 0.802 169 V HN 0.941 nan 8.190 nan 0.000 0.482 170 Q N 2.315 122.067 119.800 -0.081 0.000 1.984 170 Q HA 0.145 4.485 4.340 0.000 0.000 0.196 170 Q C 1.510 177.480 176.000 -0.051 0.000 0.975 170 Q CA 1.740 57.497 55.803 -0.076 0.000 0.827 170 Q CB -1.395 27.282 28.738 -0.102 0.000 0.894 170 Q HN 0.459 nan 8.270 nan 0.000 0.438 171 G N 0.322 109.103 108.800 -0.031 0.000 2.670 171 G HA2 0.334 4.294 3.960 0.000 0.000 0.233 171 G HA3 0.334 4.294 3.960 0.000 0.000 0.233 171 G C 0.348 175.247 174.900 -0.002 0.000 1.251 171 G CA -0.040 45.048 45.100 -0.019 0.000 0.849 171 G HN 0.556 nan 8.290 nan 0.000 0.588 172 G N -0.970 107.826 108.800 -0.007 0.000 2.621 172 G HA2 0.514 4.474 3.960 0.000 0.000 0.271 172 G HA3 0.514 4.474 3.960 0.000 0.000 0.271 172 G C 1.306 176.228 174.900 0.037 0.000 1.236 172 G CA 0.414 45.520 45.100 0.010 0.000 0.958 172 G HN 1.151 nan 8.290 nan 0.000 0.512 173 A N -0.887 121.966 122.820 0.054 0.000 2.070 173 A HA 0.144 4.464 4.320 0.000 0.000 0.220 173 A C 2.142 179.758 177.584 0.054 0.000 1.159 173 A CA 1.935 54.023 52.037 0.085 0.000 0.656 173 A CB -0.326 18.740 19.000 0.109 0.000 0.800 173 A HN 1.115 nan 8.150 nan 0.000 0.453 174 G N -0.226 108.587 108.800 0.021 0.000 3.434 174 G HA2 0.345 4.305 3.960 0.000 0.000 0.258 174 G HA3 0.345 4.305 3.960 0.000 0.000 0.258 174 G C 0.628 175.524 174.900 -0.007 0.000 1.128 174 G CA 0.651 45.749 45.100 -0.004 0.000 0.792 174 G HN 0.650 nan 8.290 nan 0.000 0.539 175 S N -0.155 115.550 115.700 0.008 0.000 2.655 175 S HA 0.732 5.202 4.470 0.000 0.000 0.265 175 S C 0.509 175.116 174.600 0.013 0.000 1.240 175 S CA -0.040 58.161 58.200 0.002 0.000 0.986 175 S CB 1.645 64.847 63.200 0.004 0.000 0.985 175 S HN 0.587 nan 8.310 nan 0.000 0.562 176 A N 0.523 123.345 122.820 0.003 0.000 2.371 176 A HA 0.374 4.694 4.320 0.000 0.000 0.257 176 A C 0.685 178.281 177.584 0.019 0.000 1.089 176 A CA -0.541 51.494 52.037 -0.003 0.000 0.794 176 A CB -0.114 18.867 19.000 -0.031 0.000 1.029 176 A HN 0.898 nan 8.150 nan 0.000 0.488 177 D N 0.619 121.020 120.400 0.002 0.000 2.137 177 D HA -0.067 4.573 4.640 0.000 0.000 0.202 177 D C 1.562 177.813 176.300 -0.081 0.000 0.970 177 D CA 2.189 56.196 54.000 0.012 0.000 0.837 177 D CB -0.261 40.519 40.800 -0.033 0.000 0.981 177 D HN 0.687 nan 8.370 nan 0.000 0.475 178 T N 0.036 114.466 114.554 -0.206 0.000 3.406 178 T HA 0.278 4.628 4.350 0.000 0.000 0.244 178 T C 0.889 175.553 174.700 -0.061 0.000 0.949 178 T CA -0.547 61.421 62.100 -0.220 0.000 0.926 178 T CB -0.973 67.679 68.868 -0.361 0.000 1.089 178 T HN -0.090 nan 8.240 nan 0.000 0.604 179 V N -1.353 118.581 119.914 0.034 0.000 3.441 179 V HA 0.433 4.553 4.120 0.000 0.000 0.300 179 V C 0.779 177.004 176.094 0.219 0.000 1.091 179 V CA -1.486 60.886 62.300 0.119 0.000 1.099 179 V CB 0.372 32.257 31.823 0.104 0.000 1.138 179 V HN 0.527 nan 8.190 nan 0.000 0.471 180 R N 1.330 122.021 120.500 0.317 0.000 2.248 180 R HA 0.623 4.963 4.340 0.000 0.000 0.337 180 R C -0.311 176.085 176.300 0.159 0.000 1.085 180 R CA 0.543 56.801 56.100 0.264 0.000 0.934 180 R CB -0.028 30.369 30.300 0.162 0.000 1.034 180 R HN 1.170 nan 8.270 nan 0.000 0.465 181 A N 5.018 127.944 122.820 0.176 0.000 2.602 181 A HA 0.454 4.774 4.320 0.000 0.000 0.290 181 A C -1.081 176.624 177.584 0.202 0.000 1.114 181 A CA -0.910 51.220 52.037 0.156 0.000 0.683 181 A CB 1.066 20.147 19.000 0.135 0.000 1.281 181 A HN 0.523 nan 8.150 nan 0.000 0.416 182 I N 1.226 121.931 120.570 0.225 0.000 2.638 182 I HA 0.298 4.468 4.170 0.000 0.000 0.286 182 I C 0.174 176.441 176.117 0.250 0.000 1.088 182 I CA -0.073 61.371 61.300 0.240 0.000 1.397 182 I CB 0.415 38.583 38.000 0.281 0.000 1.414 182 I HN 0.511 nan 8.210 nan 0.000 0.566 183 R N 3.464 124.131 120.500 0.279 0.000 2.589 183 R HA 0.557 4.897 4.340 0.000 0.000 0.293 183 R C -0.003 176.499 176.300 0.337 0.000 0.963 183 R CA -0.729 55.555 56.100 0.306 0.000 0.905 183 R CB 1.504 32.003 30.300 0.332 0.000 1.144 183 R HN 0.794 nan 8.270 nan 0.000 0.459 184 G N 0.937 109.955 108.800 0.364 0.000 2.420 184 G HA2 0.477 4.438 3.960 0.000 0.000 0.284 184 G HA3 0.477 4.438 3.960 0.000 0.000 0.284 184 G C -1.276 173.698 174.900 0.124 0.000 1.177 184 G CA -0.103 45.170 45.100 0.288 0.000 0.841 184 G HN 0.360 nan 8.290 nan 0.000 0.527 185 F N 1.900 121.760 119.950 -0.150 0.000 2.949 185 F HA 0.634 5.161 4.527 0.000 0.000 0.376 185 F C -0.072 175.428 175.800 -0.500 0.000 1.205 185 F CA -1.676 56.127 58.000 -0.328 0.000 1.155 185 F CB 1.085 40.008 39.000 -0.129 0.000 1.495 185 F HN 0.659 nan 8.300 nan 0.000 0.551 186 A N 3.161 125.684 122.820 -0.496 0.000 2.318 186 A HA 0.811 5.131 4.320 0.000 0.000 0.324 186 A C -0.601 176.529 177.584 -0.757 0.000 1.170 186 A CA -0.437 51.162 52.037 -0.730 0.000 0.810 186 A CB 0.883 19.053 19.000 -1.385 0.000 1.198 186 A HN 0.530 nan 8.150 nan 0.000 0.484 187 T N 2.249 116.515 114.554 -0.480 0.000 2.840 187 T HA 0.380 4.730 4.350 0.000 0.000 0.287 187 T C -0.448 174.003 174.700 -0.416 0.000 0.991 187 T CA -0.485 61.328 62.100 -0.477 0.000 0.964 187 T CB 1.047 69.564 68.868 -0.585 0.000 0.954 187 T HN 0.647 nan 8.240 nan 0.000 0.438 188 K N 3.458 123.697 120.400 -0.269 0.000 2.263 188 K HA 0.460 4.781 4.320 0.000 0.000 0.272 188 K C -1.280 174.900 176.600 -0.700 0.000 1.033 188 K CA -0.602 55.430 56.287 -0.426 0.000 0.884 188 K CB 0.380 32.589 32.500 -0.486 0.000 1.107 188 K HN 0.408 nan 8.250 nan 0.000 0.460 189 F N 4.677 124.307 119.950 -0.533 0.000 2.334 189 F HA 0.233 4.760 4.527 0.000 0.000 0.367 189 F C -0.494 175.068 175.800 -0.396 0.000 1.115 189 F CA -0.683 57.062 58.000 -0.425 0.000 1.116 189 F CB 0.624 39.301 39.000 -0.538 0.000 1.230 189 F HN 0.462 nan 8.300 nan 0.000 0.484 190 Y N 1.763 122.104 120.300 0.068 0.000 2.570 190 Y HA 0.183 4.733 4.550 0.000 0.000 0.336 190 Y C 1.157 177.108 175.900 0.084 0.000 1.284 190 Y CA -0.856 57.272 58.100 0.046 0.000 1.761 190 Y CB -0.583 37.896 38.460 0.032 0.000 1.724 190 Y HN 0.514 nan 8.280 nan 0.000 0.455 191 T N -2.612 112.029 114.554 0.145 0.000 2.847 191 T HA 0.170 4.520 4.350 0.000 0.000 0.279 191 T C 0.913 175.698 174.700 0.142 0.000 0.984 191 T CA -0.746 61.444 62.100 0.149 0.000 0.988 191 T CB 1.039 69.965 68.868 0.097 0.000 1.040 191 T HN 0.631 nan 8.240 nan 0.000 0.528 192 E N -0.057 120.230 120.200 0.145 0.000 2.502 192 E HA 0.028 4.378 4.350 0.000 0.000 0.194 192 E C 0.645 177.304 176.600 0.099 0.000 1.062 192 E CA 0.383 56.853 56.400 0.116 0.000 0.867 192 E CB 0.118 29.883 29.700 0.109 0.000 0.888 192 E HN 0.750 nan 8.360 nan 0.000 0.510 193 E N 0.579 120.838 120.200 0.097 0.000 2.887 193 E HA 0.304 4.654 4.350 0.000 0.000 0.206 193 E C 0.243 176.883 176.600 0.066 0.000 0.983 193 E CA -0.299 56.151 56.400 0.083 0.000 1.141 193 E CB 1.361 31.110 29.700 0.083 0.000 1.061 193 E HN 0.185 nan 8.360 nan 0.000 0.468 194 G N 1.158 109.991 108.800 0.055 0.000 2.355 194 G HA2 -0.075 3.885 3.960 0.000 0.000 0.619 194 G HA3 -0.075 3.885 3.960 0.000 0.000 0.619 194 G C -1.104 173.795 174.900 -0.002 0.000 1.337 194 G CA -1.110 44.000 45.100 0.016 0.000 0.993 194 G HN 0.035 nan 8.290 nan 0.000 0.599 195 I N 0.631 121.162 120.570 -0.066 0.000 2.395 195 I HA 0.461 4.631 4.170 0.000 0.000 0.289 195 I C -0.185 175.933 176.117 0.001 0.000 1.023 195 I CA -0.184 61.054 61.300 -0.104 0.000 1.350 195 I CB 1.096 38.957 38.000 -0.232 0.000 1.409 195 I HN 0.476 nan 8.210 nan 0.000 0.507 196 F N 6.601 126.450 119.950 -0.169 0.000 2.427 196 F HA 0.456 4.983 4.527 0.000 0.000 0.348 196 F C -0.653 175.120 175.800 -0.045 0.000 1.125 196 F CA -1.243 56.661 58.000 -0.160 0.000 0.989 196 F CB 0.794 39.565 39.000 -0.382 0.000 1.165 196 F HN 0.336 nan 8.300 nan 0.000 0.442 197 D N 7.015 127.248 120.400 -0.278 0.000 2.303 197 D HA 0.247 4.887 4.640 0.000 0.000 0.236 197 D C -0.629 175.238 176.300 -0.722 0.000 1.068 197 D CA -0.027 53.734 54.000 -0.398 0.000 0.830 197 D CB 2.459 43.215 40.800 -0.073 0.000 1.109 197 D HN 0.629 nan 8.370 nan 0.000 0.496 198 L N 3.261 124.017 121.223 -0.778 0.000 2.287 198 L HA 0.263 4.603 4.340 0.000 0.000 0.280 198 L C -0.933 175.747 176.870 -0.317 0.000 1.055 198 L CA -0.632 53.826 54.840 -0.635 0.000 0.863 198 L CB 0.696 42.403 42.059 -0.586 0.000 1.245 198 L HN 0.050 nan 8.230 nan 0.000 0.432 199 V N 5.232 125.005 119.914 -0.235 0.000 2.270 199 V HA 0.514 4.634 4.120 0.000 0.000 0.263 199 V C 0.785 176.815 176.094 -0.107 0.000 1.066 199 V CA -0.312 61.864 62.300 -0.206 0.000 0.857 199 V CB 0.510 32.185 31.823 -0.247 0.000 1.099 199 V HN 0.816 nan 8.190 nan 0.000 0.476 200 G N 3.375 112.125 108.800 -0.084 0.000 3.108 200 G HA2 0.684 4.644 3.960 0.000 0.000 0.268 200 G HA3 0.684 4.644 3.960 0.000 0.000 0.268 200 G C -0.986 173.956 174.900 0.070 0.000 1.361 200 G CA -0.641 44.459 45.100 0.001 0.000 1.047 200 G HN 0.483 nan 8.290 nan 0.000 0.540 201 N N -0.934 117.853 118.700 0.146 0.000 2.629 201 N HA 0.255 4.995 4.740 0.000 0.000 0.279 201 N C 0.147 175.847 175.510 0.316 0.000 1.344 201 N CA -0.771 52.421 53.050 0.237 0.000 0.789 201 N CB 1.414 40.034 38.487 0.222 0.000 1.508 201 N HN 0.525 nan 8.380 nan 0.000 0.516 202 N N -1.277 117.629 118.700 0.344 0.000 2.313 202 N HA 0.006 4.746 4.740 0.000 0.000 0.207 202 N C -0.693 175.075 175.510 0.430 0.000 1.141 202 N CA -0.122 53.178 53.050 0.417 0.000 0.830 202 N CB -0.259 38.446 38.487 0.363 0.000 1.008 202 N HN 0.535 nan 8.380 nan 0.000 0.481 203 T N -3.905 110.743 114.554 0.156 0.000 2.933 203 T HA 0.422 4.772 4.350 0.000 0.000 0.305 203 T C -2.604 171.529 174.700 -0.945 0.000 1.092 203 T CA -1.518 60.233 62.100 -0.581 0.000 1.008 203 T CB 2.944 71.355 68.868 -0.763 0.000 1.102 203 T HN -0.291 nan 8.240 nan 0.000 0.469 204 P HA 0.120 nan 4.420 nan 0.000 0.229 204 P C 0.767 177.566 177.300 -0.835 0.000 1.160 204 P CA 0.383 62.599 63.100 -1.474 0.000 0.777 204 P CB -0.058 30.769 31.700 -1.454 0.000 0.814 205 I N -4.558 115.480 120.570 -0.886 0.000 3.170 205 I HA 0.522 4.692 4.170 0.000 0.000 0.312 205 I C -0.787 175.078 176.117 -0.420 0.000 1.085 205 I CA -1.957 58.987 61.300 -0.593 0.000 0.999 205 I CB 1.176 38.787 38.000 -0.649 0.000 1.233 205 I HN -0.237 nan 8.210 nan 0.000 0.467 206 F N 0.527 120.219 119.950 -0.430 0.000 2.557 206 F HA 0.451 4.978 4.527 0.000 0.000 0.336 206 F C 0.582 176.176 175.800 -0.342 0.000 1.058 206 F CA -0.787 57.010 58.000 -0.338 0.000 0.988 206 F CB 1.829 40.747 39.000 -0.136 0.000 1.275 206 F HN 0.405 nan 8.300 nan 0.000 0.488 207 F N 2.303 121.535 119.950 -1.196 0.000 2.234 207 F HA -0.023 4.504 4.527 0.000 0.000 0.299 207 F C 0.737 176.248 175.800 -0.482 0.000 1.087 207 F CA 0.887 58.355 58.000 -0.886 0.000 1.340 207 F CB -0.090 37.952 39.000 -1.597 0.000 1.031 207 F HN 0.142 nan 8.300 nan 0.000 0.500 208 I N -3.433 117.093 120.570 -0.073 0.000 3.002 208 I HA 0.353 4.523 4.170 0.000 0.000 0.310 208 I C 0.350 176.614 176.117 0.245 0.000 1.087 208 I CA -0.849 60.530 61.300 0.130 0.000 1.017 208 I CB 1.872 39.996 38.000 0.207 0.000 1.226 208 I HN -0.142 nan 8.210 nan 0.000 0.443 209 Q N 0.433 120.379 119.800 0.244 0.000 2.226 209 Q HA 0.117 4.457 4.340 0.000 0.000 0.199 209 Q C -0.202 175.964 176.000 0.277 0.000 0.945 209 Q CA 0.641 56.627 55.803 0.305 0.000 0.861 209 Q CB 0.374 29.348 28.738 0.394 0.000 0.953 209 Q HN 0.681 nan 8.270 nan 0.000 0.490 210 D N -1.175 119.359 120.400 0.224 0.000 2.350 210 D HA 0.323 4.963 4.640 0.000 0.000 0.245 210 D C 0.091 176.519 176.300 0.213 0.000 1.036 210 D CA -0.171 53.933 54.000 0.173 0.000 0.848 210 D CB 1.843 42.714 40.800 0.118 0.000 1.307 210 D HN 0.044 nan 8.370 nan 0.000 0.469 211 A N 3.088 126.007 122.820 0.165 0.000 1.978 211 A HA -0.238 4.083 4.320 0.000 0.000 0.220 211 A C 1.863 179.570 177.584 0.206 0.000 1.170 211 A CA 1.832 53.963 52.037 0.156 0.000 0.636 211 A CB -0.911 18.130 19.000 0.068 0.000 0.810 211 A HN 0.837 nan 8.150 nan 0.000 0.448 212 H N 0.089 119.219 119.070 0.101 0.000 2.431 212 H HA -0.089 4.467 4.556 0.000 0.000 0.297 212 H C 1.510 176.915 175.328 0.129 0.000 1.115 212 H CA 2.055 58.155 56.048 0.087 0.000 1.277 212 H CB 0.066 29.855 29.762 0.046 0.000 1.372 212 H HN 0.410 nan 8.280 nan 0.000 0.516 213 K N -0.665 119.867 120.400 0.219 0.000 2.404 213 K HA -0.033 4.287 4.320 0.000 0.000 0.194 213 K C 1.418 178.151 176.600 0.222 0.000 1.023 213 K CA -0.050 56.364 56.287 0.211 0.000 1.094 213 K CB 0.069 32.743 32.500 0.291 0.000 0.841 213 K HN 0.290 nan 8.250 nan 0.000 0.523 214 F N 2.960 122.964 119.950 0.090 0.000 2.091 214 F HA -0.187 4.340 4.527 0.000 0.000 0.299 214 F C -0.934 174.877 175.800 0.018 0.000 1.103 214 F CA 1.600 59.672 58.000 0.119 0.000 1.228 214 F CB -0.422 38.638 39.000 0.101 0.000 0.984 214 F HN 0.048 nan 8.300 nan 0.000 0.477 215 P HA -0.116 nan 4.420 nan 0.000 0.219 215 P C 1.017 177.982 177.300 -0.558 0.000 1.150 215 P CA 1.580 64.422 63.100 -0.430 0.000 0.814 215 P CB -0.050 31.421 31.700 -0.381 0.000 0.787 216 D N -1.040 119.179 120.400 -0.302 0.000 2.078 216 D HA -0.160 4.480 4.640 0.000 0.000 0.193 216 D C 1.821 177.815 176.300 -0.510 0.000 0.990 216 D CA 1.096 54.956 54.000 -0.233 0.000 0.827 216 D CB -0.919 39.907 40.800 0.043 0.000 0.975 216 D HN 0.114 nan 8.370 nan 0.000 0.451 217 F N 1.729 121.242 119.950 -0.728 0.000 2.095 217 F HA -0.242 4.285 4.527 0.000 0.000 0.298 217 F C 2.282 177.676 175.800 -0.677 0.000 1.104 217 F CA 1.238 58.615 58.000 -1.038 0.000 1.232 217 F CB -0.172 38.467 39.000 -0.603 0.000 0.987 217 F HN -0.232 nan 8.300 nan 0.000 0.475 218 V N -0.015 119.479 119.914 -0.699 0.000 2.427 218 V HA -0.307 3.813 4.120 0.000 0.000 0.248 218 V C 2.229 178.123 176.094 -0.334 0.000 1.051 218 V CA 2.306 64.257 62.300 -0.581 0.000 1.048 218 V CB -1.000 30.503 31.823 -0.534 0.000 0.666 218 V HN 0.471 nan 8.190 nan 0.000 0.456 219 H N -0.243 118.597 119.070 -0.382 0.000 2.387 219 H HA -0.102 4.454 4.556 0.000 0.000 0.299 219 H C 2.335 177.511 175.328 -0.254 0.000 1.090 219 H CA 1.039 56.941 56.048 -0.245 0.000 1.332 219 H CB 0.092 29.759 29.762 -0.159 0.000 1.386 219 H HN 0.486 nan 8.280 nan 0.000 0.516 220 A N 0.439 123.090 122.820 -0.282 0.000 1.898 220 A HA -0.109 4.211 4.320 0.000 0.000 0.216 220 A C 2.506 179.916 177.584 -0.290 0.000 1.181 220 A CA 1.323 53.180 52.037 -0.300 0.000 0.620 220 A CB -0.732 17.969 19.000 -0.498 0.000 0.819 220 A HN 0.295 nan 8.150 nan 0.000 0.442 221 V N -0.111 119.501 119.914 -0.504 0.000 2.488 221 V HA -0.025 4.095 4.120 0.000 0.000 0.246 221 V C 0.945 176.972 176.094 -0.111 0.000 1.046 221 V CA 0.999 63.070 62.300 -0.381 0.000 1.053 221 V CB -0.503 30.923 31.823 -0.662 0.000 0.679 221 V HN 0.341 nan 8.190 nan 0.000 0.458 222 K N 0.920 121.235 120.400 -0.141 0.000 2.188 222 K HA 0.193 4.513 4.320 0.000 0.000 0.246 222 K C -2.274 174.283 176.600 -0.072 0.000 1.026 222 K CA -1.605 54.622 56.287 -0.100 0.000 0.871 222 K CB -0.711 31.724 32.500 -0.109 0.000 1.042 222 K HN 0.187 nan 8.250 nan 0.000 0.509 223 P HA 0.031 nan 4.420 nan 0.000 0.267 223 P C -0.629 176.609 177.300 -0.103 0.000 1.205 223 P CA 0.244 63.210 63.100 -0.223 0.000 0.765 223 P CB 0.304 31.864 31.700 -0.234 0.000 0.828 224 E N 5.671 125.857 120.200 -0.024 0.000 2.452 224 E HA -0.061 4.289 4.350 0.000 0.000 0.261 224 E C -1.075 175.563 176.600 0.062 0.000 0.987 224 E CA -0.978 55.501 56.400 0.131 0.000 0.926 224 E CB 0.112 30.008 29.700 0.327 0.000 0.934 224 E HN 0.443 nan 8.360 nan 0.000 0.452 225 P HA -0.231 nan 4.420 nan 0.000 0.222 225 P C 0.918 178.271 177.300 0.088 0.000 1.147 225 P CA 1.494 64.614 63.100 0.034 0.000 0.790 225 P CB 0.024 31.732 31.700 0.014 0.000 0.780 226 H N -1.066 118.058 119.070 0.090 0.000 2.333 226 H HA -0.059 4.497 4.556 0.000 0.000 0.302 226 H C 1.665 177.101 175.328 0.180 0.000 1.075 226 H CA 1.363 57.450 56.048 0.066 0.000 1.348 226 H CB -1.310 28.426 29.762 -0.043 0.000 1.393 226 H HN 0.291 nan 8.280 nan 0.000 0.509 227 W N 0.526 121.479 121.300 -0.578 0.000 2.998 227 W HA 0.666 5.326 4.660 0.000 0.000 0.336 227 W C 0.556 176.915 176.519 -0.267 0.000 1.112 227 W CA -0.738 56.395 57.345 -0.352 0.000 1.682 227 W CB -0.705 28.534 29.460 -0.369 0.000 1.065 227 W HN 0.439 nan 8.180 nan 0.000 0.570 228 A N 1.224 123.986 122.820 -0.098 0.000 2.739 228 A HA -0.176 4.144 4.320 0.000 0.000 0.296 228 A C -0.328 177.009 177.584 -0.413 0.000 1.488 228 A CA 1.398 53.311 52.037 -0.207 0.000 0.746 228 A CB -2.434 16.480 19.000 -0.142 0.000 1.047 228 A HN 0.445 nan 8.150 nan 0.000 0.477 229 I N 0.307 120.459 120.570 -0.697 0.000 2.608 229 I HA 0.550 4.720 4.170 0.000 0.000 0.295 229 I C -2.400 173.361 176.117 -0.593 0.000 1.049 229 I CA -2.457 58.319 61.300 -0.875 0.000 1.063 229 I CB 2.789 39.724 38.000 -1.777 0.000 1.248 229 I HN 0.183 nan 8.210 nan 0.000 0.424 230 P HA 0.296 nan 4.420 nan 0.000 0.289 230 P C -1.511 175.598 177.300 -0.317 0.000 1.293 230 P CA -0.862 61.982 63.100 -0.427 0.000 0.897 230 P CB 1.435 32.962 31.700 -0.289 0.000 1.166 231 Q N 0.780 120.445 119.800 -0.226 0.000 2.286 231 Q HA 0.468 4.808 4.340 0.000 0.000 0.257 231 Q C 1.066 177.007 176.000 -0.097 0.000 0.941 231 Q CA 0.949 56.659 55.803 -0.155 0.000 0.912 231 Q CB -0.475 28.186 28.738 -0.128 0.000 1.192 231 Q HN 0.813 nan 8.270 nan 0.000 0.410 232 G N 3.434 112.185 108.800 -0.081 0.000 2.283 232 G HA2 -0.300 3.660 3.960 0.000 0.000 0.280 232 G HA3 -0.300 3.660 3.960 0.000 0.000 0.280 232 G C -0.442 174.449 174.900 -0.015 0.000 1.029 232 G CA 0.688 45.764 45.100 -0.039 0.000 0.840 232 G HN 0.561 nan 8.290 nan 0.000 0.505 233 Q N -1.080 118.698 119.800 -0.038 0.000 2.331 233 Q HA 0.554 4.894 4.340 0.000 0.000 0.272 233 Q C 0.932 176.932 176.000 0.001 0.000 1.062 233 Q CA -0.142 55.669 55.803 0.015 0.000 0.806 233 Q CB 1.797 30.583 28.738 0.081 0.000 1.312 233 Q HN 0.433 nan 8.270 nan 0.000 0.431 234 S N -0.216 115.395 115.700 -0.150 0.000 2.528 234 S HA 0.126 4.596 4.470 0.000 0.000 0.219 234 S C 1.024 175.587 174.600 -0.062 0.000 0.985 234 S CA 0.120 58.000 58.200 -0.532 0.000 0.914 234 S CB 0.254 62.618 63.200 -1.392 0.000 0.776 234 S HN 0.607 nan 8.310 nan 0.000 0.526 235 A N 2.449 125.409 122.820 0.233 0.000 3.030 235 A HA 0.478 4.798 4.320 0.000 0.000 0.273 235 A C 0.137 177.964 177.584 0.405 0.000 1.841 235 A CA -0.454 51.809 52.037 0.377 0.000 1.479 235 A CB -1.422 17.730 19.000 0.254 0.000 1.048 235 A HN 0.917 nan 8.150 nan 0.000 0.612 236 H N -3.364 115.896 119.070 0.317 0.000 3.037 236 H HA 0.458 5.014 4.556 0.000 0.000 0.336 236 H C -0.190 175.341 175.328 0.339 0.000 1.323 236 H CA -0.710 55.489 56.048 0.252 0.000 1.159 236 H CB 0.218 30.085 29.762 0.176 0.000 1.882 236 H HN 0.099 nan 8.280 nan 0.000 0.535 237 D N 0.401 120.951 120.400 0.249 0.000 2.126 237 D HA -0.241 4.399 4.640 0.000 0.000 0.190 237 D C 2.165 178.508 176.300 0.072 0.000 1.001 237 D CA 3.405 57.496 54.000 0.153 0.000 0.841 237 D CB -0.350 40.523 40.800 0.123 0.000 0.949 237 D HN 0.791 nan 8.370 nan 0.000 0.446 238 T N -1.575 112.997 114.554 0.031 0.000 2.788 238 T HA -0.221 4.129 4.350 0.000 0.000 0.268 238 T C 1.907 176.532 174.700 -0.124 0.000 1.044 238 T CA 0.885 62.981 62.100 -0.007 0.000 1.139 238 T CB -0.757 68.157 68.868 0.077 0.000 0.867 238 T HN 0.175 nan 8.240 nan 0.000 0.454 239 F N 0.933 120.566 119.950 -0.528 0.000 2.051 239 F HA 0.049 4.577 4.527 0.000 0.000 0.296 239 F C 1.965 177.506 175.800 -0.431 0.000 1.122 239 F CA 0.834 58.456 58.000 -0.630 0.000 1.201 239 F CB -0.743 37.697 39.000 -0.933 0.000 0.978 239 F HN 0.162 nan 8.300 nan 0.000 0.472 240 W N 0.646 121.840 121.300 -0.177 0.000 2.392 240 W HA -0.144 4.516 4.660 -0.000 0.000 0.279 240 W C 2.320 178.745 176.519 -0.157 0.000 1.225 240 W CA 0.996 58.233 57.345 -0.181 0.000 1.233 240 W CB -0.585 28.859 29.460 -0.026 0.000 1.122 240 W HN 0.111 nan 8.180 nan 0.000 0.561 241 D N -0.714 119.724 120.400 0.064 0.000 2.097 241 D HA -0.279 4.361 4.640 0.000 0.000 0.195 241 D C 1.851 178.149 176.300 -0.003 0.000 0.989 241 D CA 1.429 55.450 54.000 0.036 0.000 0.827 241 D CB -0.523 40.305 40.800 0.047 0.000 0.966 241 D HN 0.199 nan 8.370 nan 0.000 0.456 242 Y N 0.402 120.598 120.300 -0.174 0.000 2.114 242 Y HA -0.206 4.344 4.550 0.000 0.000 0.284 242 Y C 2.340 178.117 175.900 -0.206 0.000 1.143 242 Y CA 1.639 59.623 58.100 -0.193 0.000 1.135 242 Y CB -0.472 37.825 38.460 -0.271 0.000 0.980 242 Y HN -0.127 nan 8.280 nan 0.000 0.499 243 V N 0.192 119.977 119.914 -0.216 0.000 2.252 243 V HA -0.388 3.732 4.120 0.000 0.000 0.249 243 V C 2.637 178.673 176.094 -0.096 0.000 1.056 243 V CA 2.406 64.579 62.300 -0.212 0.000 1.022 243 V CB -1.363 30.230 31.823 -0.384 0.000 0.641 243 V HN 0.677 nan 8.190 nan 0.000 0.445 244 S N -0.167 115.523 115.700 -0.017 0.000 2.419 244 S HA -0.110 4.360 4.470 0.000 0.000 0.233 244 S C 1.684 176.243 174.600 -0.069 0.000 1.016 244 S CA 1.584 59.788 58.200 0.008 0.000 0.974 244 S CB -0.528 62.703 63.200 0.053 0.000 0.786 244 S HN 0.562 nan 8.310 nan 0.000 0.492 245 L N 0.175 121.308 121.223 -0.151 0.000 2.607 245 L HA 0.334 4.674 4.340 0.000 0.000 0.228 245 L C 0.327 177.019 176.870 -0.296 0.000 1.123 245 L CA 0.054 54.782 54.840 -0.188 0.000 0.890 245 L CB 0.032 41.986 42.059 -0.175 0.000 1.103 245 L HN 0.263 nan 8.230 nan 0.000 0.468 246 Q N 0.035 119.619 119.800 -0.359 0.000 3.021 246 Q HA 0.221 4.561 4.340 0.000 0.000 0.234 246 Q C -2.013 173.772 176.000 -0.358 0.000 0.930 246 Q CA -1.346 54.204 55.803 -0.421 0.000 0.714 246 Q CB 1.666 30.047 28.738 -0.595 0.000 1.325 246 Q HN -0.061 nan 8.270 nan 0.000 0.473 247 P HA -0.229 nan 4.420 nan 0.000 0.221 247 P C 0.952 177.970 177.300 -0.471 0.000 1.145 247 P CA 1.229 64.079 63.100 -0.417 0.000 0.795 247 P CB 0.300 31.698 31.700 -0.503 0.000 0.775 248 E N 0.576 120.397 120.200 -0.632 0.000 2.209 248 E HA -0.174 4.176 4.350 0.000 0.000 0.196 248 E C 1.569 178.143 176.600 -0.043 0.000 0.993 248 E CA 1.837 58.111 56.400 -0.210 0.000 0.819 248 E CB -1.390 28.252 29.700 -0.097 0.000 0.745 248 E HN 0.288 nan 8.360 nan 0.000 0.477 249 T N -0.216 114.315 114.554 -0.038 0.000 3.007 249 T HA -0.033 4.317 4.350 0.000 0.000 0.270 249 T C 1.980 176.767 174.700 0.146 0.000 1.107 249 T CA 0.633 62.784 62.100 0.084 0.000 1.118 249 T CB -0.442 68.512 68.868 0.145 0.000 0.889 249 T HN 0.150 nan 8.240 nan 0.000 0.506 250 L N 0.164 121.469 121.223 0.138 0.000 2.081 250 L HA -0.176 4.164 4.340 0.000 0.000 0.212 250 L C 2.860 179.908 176.870 0.296 0.000 1.080 250 L CA 2.103 57.090 54.840 0.246 0.000 0.754 250 L CB -0.869 41.336 42.059 0.243 0.000 0.893 250 L HN 0.485 nan 8.230 nan 0.000 0.433 251 H N -0.069 119.060 119.070 0.098 0.000 2.293 251 H HA -0.195 4.361 4.556 0.000 0.000 0.300 251 H C 2.207 177.542 175.328 0.012 0.000 1.082 251 H CA 1.769 57.870 56.048 0.089 0.000 1.308 251 H CB 0.213 29.991 29.762 0.028 0.000 1.375 251 H HN 0.373 nan 8.280 nan 0.000 0.495 252 N N -0.186 118.354 118.700 -0.266 0.000 2.309 252 N HA -0.123 4.617 4.740 0.000 0.000 0.182 252 N C 1.916 177.260 175.510 -0.277 0.000 1.018 252 N CA 0.654 53.325 53.050 -0.631 0.000 0.876 252 N CB 0.305 37.969 38.487 -1.372 0.000 0.972 252 N HN 0.111 nan 8.380 nan 0.000 0.434 253 V N 1.643 121.624 119.914 0.112 0.000 2.295 253 V HA -0.253 3.867 4.120 0.000 0.000 0.246 253 V C 2.511 178.767 176.094 0.271 0.000 1.049 253 V CA 1.229 63.738 62.300 0.348 0.000 1.024 253 V CB -0.376 31.718 31.823 0.452 0.000 0.648 253 V HN 0.392 nan 8.190 nan 0.000 0.447 254 M N -1.397 118.399 119.600 0.327 0.000 2.088 254 M HA -0.250 4.231 4.480 0.000 0.000 0.256 254 M C 2.075 178.436 176.300 0.102 0.000 1.071 254 M CA 2.051 57.556 55.300 0.341 0.000 1.097 254 M CB -1.326 31.508 32.600 0.390 0.000 1.315 254 M HN 0.476 nan 8.290 nan 0.000 0.406 255 W N 0.262 121.332 121.300 -0.383 0.000 2.338 255 W HA -0.129 4.531 4.660 0.000 0.000 0.304 255 W C 2.775 179.253 176.519 -0.068 0.000 1.212 255 W CA 1.944 59.053 57.345 -0.394 0.000 1.264 255 W CB -0.981 28.158 29.460 -0.535 0.000 1.142 255 W HN 0.319 nan 8.180 nan 0.000 0.512 256 A N -0.875 122.056 122.820 0.185 0.000 1.930 256 A HA -0.172 4.148 4.320 0.000 0.000 0.217 256 A C 1.925 179.582 177.584 0.121 0.000 1.175 256 A CA 1.580 53.721 52.037 0.172 0.000 0.627 256 A CB -0.551 18.582 19.000 0.221 0.000 0.815 256 A HN 0.096 nan 8.150 nan 0.000 0.443 257 M N 0.614 120.254 119.600 0.067 0.000 2.492 257 M HA 0.024 4.504 4.480 0.000 0.000 0.262 257 M C 1.480 177.841 176.300 0.100 0.000 1.090 257 M CA 0.731 56.004 55.300 -0.046 0.000 1.110 257 M CB -1.306 31.026 32.600 -0.447 0.000 1.407 257 M HN 0.549 nan 8.290 nan 0.000 0.470 258 S N -0.032 115.788 115.700 0.201 0.000 2.652 258 S HA 0.119 4.589 4.470 0.000 0.000 0.267 258 S C 0.764 175.502 174.600 0.229 0.000 1.201 258 S CA -0.494 57.853 58.200 0.245 0.000 0.996 258 S CB 0.831 64.209 63.200 0.296 0.000 1.054 258 S HN 0.185 nan 8.310 nan 0.000 0.561 259 D N 0.185 120.735 120.400 0.250 0.000 2.350 259 D HA 0.010 4.650 4.640 0.000 0.000 0.216 259 D C 1.870 178.321 176.300 0.252 0.000 0.968 259 D CA 0.358 54.525 54.000 0.278 0.000 0.894 259 D CB -0.182 40.847 40.800 0.381 0.000 0.909 259 D HN 0.327 nan 8.370 nan 0.000 0.520 260 R N 0.358 121.003 120.500 0.242 0.000 2.105 260 R HA -0.059 4.281 4.340 0.000 0.000 0.239 260 R C 2.159 178.622 176.300 0.273 0.000 1.135 260 R CA 1.064 57.332 56.100 0.281 0.000 0.967 260 R CB -1.101 29.433 30.300 0.390 0.000 0.861 260 R HN 0.232 nan 8.270 nan 0.000 0.442 261 G N 1.151 110.101 108.800 0.250 0.000 2.586 261 G HA2 -0.083 3.877 3.960 0.000 0.000 0.215 261 G HA3 -0.083 3.877 3.960 0.000 0.000 0.215 261 G C 0.929 175.976 174.900 0.245 0.000 1.128 261 G CA 0.384 45.622 45.100 0.231 0.000 0.774 261 G HN 0.437 nan 8.290 nan 0.000 0.543 262 I N -2.145 118.578 120.570 0.254 0.000 2.871 262 I HA 0.352 4.522 4.170 0.000 0.000 0.284 262 I C -2.973 173.296 176.117 0.254 0.000 1.390 262 I CA -2.629 58.824 61.300 0.254 0.000 0.958 262 I CB 1.923 40.070 38.000 0.246 0.000 1.618 262 I HN -0.276 nan 8.210 nan 0.000 0.595 263 P HA 0.108 nan 4.420 nan 0.000 0.268 263 P C 0.639 178.063 177.300 0.207 0.000 1.205 263 P CA -0.265 62.937 63.100 0.170 0.000 0.771 263 P CB 1.045 32.777 31.700 0.054 0.000 0.858 264 R N 2.366 122.971 120.500 0.176 0.000 2.096 264 R HA -0.019 4.321 4.340 0.000 0.000 0.235 264 R C 0.369 176.790 176.300 0.201 0.000 1.127 264 R CA 1.714 57.958 56.100 0.239 0.000 0.968 264 R CB -0.412 29.991 30.300 0.173 0.000 0.861 264 R HN 0.575 nan 8.270 nan 0.000 0.440 265 S N -3.225 112.378 115.700 -0.161 0.000 2.595 265 S HA 0.183 4.653 4.470 0.000 0.000 0.270 265 S C -0.173 174.103 174.600 -0.541 0.000 1.145 265 S CA -0.837 57.085 58.200 -0.463 0.000 0.825 265 S CB -0.129 62.973 63.200 -0.163 0.000 1.107 265 S HN 0.069 nan 8.310 nan 0.000 0.461 266 Y N 1.808 121.755 120.300 -0.588 0.000 2.403 266 Y HA 0.089 4.639 4.550 0.000 0.000 0.291 266 Y C 2.460 178.030 175.900 -0.549 0.000 1.143 266 Y CA 1.226 58.854 58.100 -0.787 0.000 1.257 266 Y CB -0.391 37.247 38.460 -1.369 0.000 0.984 266 Y HN 0.571 nan 8.280 nan 0.000 0.550 267 R N -0.545 119.839 120.500 -0.193 0.000 2.189 267 R HA -0.035 4.305 4.340 0.000 0.000 0.218 267 R C 1.069 177.327 176.300 -0.070 0.000 1.074 267 R CA 1.513 57.541 56.100 -0.120 0.000 0.991 267 R CB -0.470 29.752 30.300 -0.129 0.000 0.883 267 R HN 0.313 nan 8.270 nan 0.000 0.457 268 T N -1.118 113.407 114.554 -0.048 0.000 3.256 268 T HA 0.391 4.741 4.350 0.000 0.000 0.249 268 T C 0.183 174.924 174.700 0.070 0.000 0.975 268 T CA -0.664 61.440 62.100 0.006 0.000 1.011 268 T CB -0.196 68.661 68.868 -0.018 0.000 1.127 268 T HN 0.094 nan 8.240 nan 0.000 0.543 269 M N -1.214 118.470 119.600 0.141 0.000 2.593 269 M HA 0.741 5.221 4.480 0.000 0.000 0.290 269 M C -1.193 175.291 176.300 0.307 0.000 1.244 269 M CA -0.916 54.507 55.300 0.205 0.000 0.857 269 M CB 2.193 34.902 32.600 0.182 0.000 1.738 269 M HN -0.103 nan 8.290 nan 0.000 0.461 270 E N 0.315 120.699 120.200 0.306 0.000 2.330 270 E HA 0.793 5.143 4.350 0.000 0.000 0.256 270 E C -0.313 176.388 176.600 0.168 0.000 1.146 270 E CA -0.875 55.654 56.400 0.215 0.000 0.945 270 E CB 1.619 31.377 29.700 0.096 0.000 1.182 270 E HN 0.883 nan 8.360 nan 0.000 0.480 271 G N 0.196 108.863 108.800 -0.221 0.000 2.733 271 G HA2 0.576 4.536 3.960 0.000 0.000 0.297 271 G HA3 0.576 4.536 3.960 0.000 0.000 0.297 271 G C -1.691 172.766 174.900 -0.737 0.000 1.422 271 G CA -0.535 44.455 45.100 -0.184 0.000 0.942 271 G HN 0.239 nan 8.290 nan 0.000 0.510 272 F N -0.032 119.876 119.950 -0.070 0.000 2.599 272 F HA 0.574 5.101 4.527 0.000 0.000 0.311 272 F C 1.157 176.885 175.800 -0.120 0.000 1.076 272 F CA -0.360 57.518 58.000 -0.204 0.000 0.937 272 F CB 2.668 41.495 39.000 -0.289 0.000 1.282 272 F HN 0.602 nan 8.300 nan 0.000 0.460 273 G N 0.569 109.439 108.800 0.117 0.000 2.712 273 G HA2 0.136 4.096 3.960 0.000 0.000 0.212 273 G HA3 0.136 4.096 3.960 0.000 0.000 0.212 273 G C 1.226 176.197 174.900 0.120 0.000 1.142 273 G CA 0.698 45.923 45.100 0.208 0.000 0.789 273 G HN 0.788 nan 8.290 nan 0.000 0.535 274 I N -0.966 119.586 120.570 -0.030 0.000 4.381 274 I HA -0.331 3.839 4.170 0.000 0.000 0.070 274 I C 0.711 176.666 176.117 -0.271 0.000 0.586 274 I CA 1.634 62.788 61.300 -0.245 0.000 1.055 274 I CB -1.098 36.653 38.000 -0.415 0.000 0.943 274 I HN 0.278 nan 8.210 nan 0.000 0.171 275 H N 1.520 120.600 119.070 0.016 0.000 2.546 275 H HA 0.323 4.879 4.556 0.000 0.000 0.365 275 H C 0.089 175.361 175.328 -0.092 0.000 1.220 275 H CA 0.315 56.294 56.048 -0.116 0.000 1.386 275 H CB 0.446 29.991 29.762 -0.362 0.000 1.510 275 H HN 0.099 nan 8.280 nan 0.000 0.591 276 T N 3.000 117.546 114.554 -0.012 0.000 2.749 276 T HA 0.263 4.614 4.350 0.000 0.000 0.295 276 T C 0.088 174.751 174.700 -0.063 0.000 0.936 276 T CA -0.122 61.956 62.100 -0.036 0.000 1.060 276 T CB -0.167 68.634 68.868 -0.112 0.000 0.904 276 T HN 0.217 nan 8.240 nan 0.000 0.500 277 F N 1.507 121.450 119.950 -0.013 0.000 2.629 277 F HA 0.685 5.213 4.527 0.000 0.000 0.386 277 F C 1.030 176.795 175.800 -0.058 0.000 1.135 277 F CA -1.213 56.798 58.000 0.020 0.000 1.116 277 F CB 1.328 40.343 39.000 0.024 0.000 1.426 277 F HN 0.212 nan 8.300 nan 0.000 0.501 278 R N 0.368 120.942 120.500 0.122 0.000 2.795 278 R HA 0.631 4.971 4.340 0.000 0.000 0.275 278 R C -1.729 174.456 176.300 -0.192 0.000 0.981 278 R CA -0.933 55.095 56.100 -0.121 0.000 0.917 278 R CB 2.152 32.312 30.300 -0.233 0.000 1.202 278 R HN 0.426 nan 8.270 nan 0.000 0.469 279 L N 3.273 124.330 121.223 -0.275 0.000 2.317 279 L HA 0.530 4.870 4.340 0.000 0.000 0.281 279 L C -0.609 176.101 176.870 -0.268 0.000 1.024 279 L CA -0.909 53.776 54.840 -0.258 0.000 0.810 279 L CB 1.441 43.347 42.059 -0.256 0.000 1.240 279 L HN 0.386 nan 8.230 nan 0.000 0.427 280 I N 3.084 123.517 120.570 -0.229 0.000 2.410 280 I HA 0.252 4.423 4.170 0.000 0.000 0.286 280 I C -0.245 175.776 176.117 -0.159 0.000 1.009 280 I CA -0.745 60.421 61.300 -0.224 0.000 1.111 280 I CB 1.337 39.207 38.000 -0.217 0.000 1.262 280 I HN 0.599 nan 8.210 nan 0.000 0.443 281 N N 4.839 123.459 118.700 -0.134 0.000 2.447 281 N HA 0.381 5.121 4.740 0.000 0.000 0.271 281 N C 0.908 176.372 175.510 -0.077 0.000 1.226 281 N CA -0.343 52.651 53.050 -0.094 0.000 0.980 281 N CB 0.717 39.158 38.487 -0.078 0.000 1.206 281 N HN 0.527 nan 8.380 nan 0.000 0.558 282 A N -0.243 122.542 122.820 -0.059 0.000 1.978 282 A HA -0.172 4.148 4.320 0.000 0.000 0.220 282 A C 1.523 179.083 177.584 -0.039 0.000 1.170 282 A CA 1.542 53.551 52.037 -0.046 0.000 0.636 282 A CB -0.781 18.198 19.000 -0.034 0.000 0.810 282 A HN 0.753 nan 8.150 nan 0.000 0.448 283 E N -1.611 118.566 120.200 -0.038 0.000 2.427 283 E HA 0.267 4.617 4.350 0.000 0.000 0.196 283 E C 1.291 177.877 176.600 -0.023 0.000 1.028 283 E CA 0.827 57.210 56.400 -0.028 0.000 0.864 283 E CB -0.149 29.536 29.700 -0.026 0.000 0.813 283 E HN 0.800 nan 8.360 nan 0.000 0.514 284 G N 0.861 109.642 108.800 -0.031 0.000 2.159 284 G HA2 -0.317 3.643 3.960 0.000 0.000 0.227 284 G HA3 -0.317 3.643 3.960 0.000 0.000 0.227 284 G C 0.247 175.154 174.900 0.011 0.000 0.986 284 G CA 0.135 45.233 45.100 -0.003 0.000 0.651 284 G HN 0.256 nan 8.290 nan 0.000 0.523 285 K N 0.811 121.179 120.400 -0.053 0.000 2.298 285 K HA 0.677 4.997 4.320 0.000 0.000 0.280 285 K C 0.521 176.972 176.600 -0.248 0.000 1.032 285 K CA 0.217 56.444 56.287 -0.100 0.000 0.958 285 K CB 0.659 33.108 32.500 -0.086 0.000 0.978 285 K HN 0.592 nan 8.250 nan 0.000 0.472 286 A N 3.180 125.754 122.820 -0.409 0.000 2.292 286 A HA 0.434 4.754 4.320 0.000 0.000 0.319 286 A C -0.864 176.411 177.584 -0.516 0.000 1.206 286 A CA -0.572 51.073 52.037 -0.653 0.000 0.835 286 A CB 1.137 19.366 19.000 -1.285 0.000 1.164 286 A HN 0.721 nan 8.150 nan 0.000 0.505 287 T N 2.494 116.779 114.554 -0.447 0.000 2.812 287 T HA 0.529 4.879 4.350 0.000 0.000 0.282 287 T C -0.488 174.002 174.700 -0.351 0.000 0.990 287 T CA -0.132 61.760 62.100 -0.347 0.000 0.960 287 T CB 0.406 69.157 68.868 -0.194 0.000 0.948 287 T HN 0.341 nan 8.240 nan 0.000 0.438 288 F N 2.060 121.913 119.950 -0.162 0.000 2.496 288 F HA 0.487 5.014 4.527 0.000 0.000 0.344 288 F C 0.649 176.323 175.800 -0.210 0.000 1.155 288 F CA -0.281 57.618 58.000 -0.168 0.000 1.302 288 F CB 0.532 39.453 39.000 -0.132 0.000 1.159 288 F HN 0.229 nan 8.300 nan 0.000 0.595 289 V N 4.077 123.944 119.914 -0.078 0.000 2.851 289 V HA 0.539 4.659 4.120 0.000 0.000 0.307 289 V C -1.110 174.754 176.094 -0.383 0.000 1.129 289 V CA -0.790 61.312 62.300 -0.330 0.000 0.932 289 V CB 2.097 33.490 31.823 -0.717 0.000 1.024 289 V HN 0.759 nan 8.190 nan 0.000 0.426 290 R N 4.782 125.116 120.500 -0.278 0.000 2.494 290 R HA 0.559 4.899 4.340 0.000 0.000 0.305 290 R C -1.525 174.697 176.300 -0.130 0.000 0.959 290 R CA -0.437 55.556 56.100 -0.180 0.000 0.864 290 R CB 1.888 32.198 30.300 0.017 0.000 1.159 290 R HN 0.611 nan 8.270 nan 0.000 0.446 291 F N 2.305 122.305 119.950 0.084 0.000 2.384 291 F HA 0.345 4.872 4.527 0.000 0.000 0.338 291 F C 1.007 176.757 175.800 -0.082 0.000 1.103 291 F CA -0.025 57.986 58.000 0.019 0.000 1.157 291 F CB 0.836 39.755 39.000 -0.135 0.000 1.167 291 F HN 0.209 nan 8.300 nan 0.000 0.529 292 H N 0.951 120.013 119.070 -0.013 0.000 2.806 292 H HA 0.236 4.792 4.556 0.000 0.000 0.367 292 H C -1.615 173.463 175.328 -0.417 0.000 1.136 292 H CA -1.048 54.880 56.048 -0.200 0.000 1.178 292 H CB 1.954 31.699 29.762 -0.028 0.000 1.718 292 H HN 0.687 nan 8.280 nan 0.000 0.540 293 W N 2.474 123.672 121.300 -0.170 0.000 2.538 293 W HA 0.330 4.990 4.660 0.000 0.000 0.322 293 W C -0.138 176.394 176.519 0.023 0.000 1.028 293 W CA -0.758 56.511 57.345 -0.126 0.000 1.228 293 W CB 1.820 30.981 29.460 -0.498 0.000 1.356 293 W HN 0.305 nan 8.180 nan 0.000 0.452 294 K N 5.561 126.224 120.400 0.440 0.000 2.206 294 K HA 0.455 4.775 4.320 0.000 0.000 0.264 294 K C -2.489 174.345 176.600 0.390 0.000 0.967 294 K CA -1.939 54.554 56.287 0.343 0.000 0.844 294 K CB 1.668 34.317 32.500 0.248 0.000 1.099 294 K HN 0.027 nan 8.250 nan 0.000 0.441 295 P HA 0.088 nan 4.420 nan 0.000 0.281 295 P C 0.193 177.513 177.300 0.034 0.000 1.286 295 P CA -0.168 63.004 63.100 0.120 0.000 0.772 295 P CB 0.802 32.581 31.700 0.132 0.000 0.862 296 L N 2.608 123.798 121.223 -0.055 0.000 2.465 296 L HA -0.033 4.307 4.340 0.000 0.000 0.224 296 L C 2.119 178.973 176.870 -0.027 0.000 1.145 296 L CA 0.959 55.796 54.840 -0.005 0.000 0.834 296 L CB -0.531 41.531 42.059 0.005 0.000 0.944 296 L HN 0.337 nan 8.230 nan 0.000 0.451 297 A N 0.033 122.809 122.820 -0.074 0.000 2.251 297 A HA 0.440 4.760 4.320 0.000 0.000 0.209 297 A C 1.229 178.807 177.584 -0.009 0.000 1.187 297 A CA 0.585 52.592 52.037 -0.050 0.000 0.823 297 A CB -0.387 18.564 19.000 -0.082 0.000 0.846 297 A HN 0.426 nan 8.150 nan 0.000 0.486 298 G N -0.438 108.374 108.800 0.021 0.000 2.746 298 G HA2 -0.146 3.814 3.960 0.000 0.000 0.685 298 G HA3 -0.146 3.814 3.960 0.000 0.000 0.685 298 G C -0.628 174.305 174.900 0.056 0.000 1.350 298 G CA -0.477 44.655 45.100 0.054 0.000 0.837 298 G HN 0.457 nan 8.290 nan 0.000 0.564 299 K N 0.331 120.776 120.400 0.075 0.000 2.258 299 K HA 0.663 4.983 4.320 0.000 0.000 0.284 299 K C 0.317 176.943 176.600 0.043 0.000 1.051 299 K CA 0.383 56.706 56.287 0.060 0.000 0.923 299 K CB 1.496 34.025 32.500 0.047 0.000 1.046 299 K HN 1.433 nan 8.250 nan 0.000 0.474 300 A N 1.939 124.776 122.820 0.027 0.000 2.566 300 A HA 0.601 4.921 4.320 0.000 0.000 0.297 300 A C -1.141 176.527 177.584 0.140 0.000 1.059 300 A CA -0.694 51.349 52.037 0.010 0.000 0.691 300 A CB 1.722 20.519 19.000 -0.339 0.000 1.282 300 A HN 0.514 nan 8.150 nan 0.000 0.401 301 S N 0.346 116.294 115.700 0.413 0.000 2.627 301 S HA 0.755 5.225 4.470 0.000 0.000 0.283 301 S C -0.257 174.666 174.600 0.539 0.000 1.127 301 S CA -0.628 57.825 58.200 0.422 0.000 0.863 301 S CB 1.241 64.679 63.200 0.397 0.000 1.121 301 S HN 0.667 nan 8.310 nan 0.000 0.479 302 L N 1.257 122.676 121.223 0.326 0.000 2.490 302 L HA 0.599 4.939 4.340 0.000 0.000 0.245 302 L C 0.071 177.043 176.870 0.169 0.000 1.185 302 L CA -0.895 54.054 54.840 0.181 0.000 0.813 302 L CB 0.174 42.245 42.059 0.021 0.000 1.233 302 L HN 0.505 nan 8.230 nan 0.000 0.489 303 V N -3.070 116.843 119.914 -0.003 0.000 2.850 303 V HA 0.174 4.294 4.120 0.000 0.000 0.315 303 V C 0.748 176.787 176.094 -0.091 0.000 1.064 303 V CA -0.765 61.499 62.300 -0.059 0.000 0.979 303 V CB 1.556 33.318 31.823 -0.102 0.000 1.039 303 V HN 0.940 nan 8.190 nan 0.000 0.452 304 W N 1.941 123.109 121.300 -0.220 0.000 2.315 304 W HA -0.263 4.397 4.660 0.000 0.000 0.323 304 W C 1.851 178.223 176.519 -0.246 0.000 1.233 304 W CA 2.674 59.893 57.345 -0.211 0.000 1.267 304 W CB -0.162 29.166 29.460 -0.219 0.000 1.160 304 W HN 1.003 nan 8.180 nan 0.000 0.474 305 D N 0.050 120.151 120.400 -0.497 0.000 2.149 305 D HA -0.283 4.357 4.640 0.000 0.000 0.198 305 D C 2.146 178.068 176.300 -0.629 0.000 0.990 305 D CA 2.116 55.787 54.000 -0.549 0.000 0.839 305 D CB -0.451 40.290 40.800 -0.097 0.000 0.948 305 D HN 0.351 nan 8.370 nan 0.000 0.460 306 E N -0.440 119.272 120.200 -0.812 0.000 2.031 306 E HA -0.211 4.139 4.350 0.000 0.000 0.193 306 E C 2.070 178.313 176.600 -0.594 0.000 0.994 306 E CA 0.981 56.853 56.400 -0.879 0.000 0.800 306 E CB -0.231 28.931 29.700 -0.897 0.000 0.752 306 E HN 0.319 nan 8.360 nan 0.000 0.447 307 A N 1.254 123.744 122.820 -0.549 0.000 1.873 307 A HA -0.311 4.009 4.320 0.000 0.000 0.218 307 A C 2.183 179.413 177.584 -0.590 0.000 1.193 307 A CA 2.094 53.843 52.037 -0.480 0.000 0.629 307 A CB -0.878 17.927 19.000 -0.325 0.000 0.826 307 A HN 0.449 nan 8.150 nan 0.000 0.447 308 Q N -0.542 118.702 119.800 -0.927 0.000 2.119 308 Q HA -0.170 4.170 4.340 0.000 0.000 0.201 308 Q C 1.987 177.709 176.000 -0.464 0.000 0.972 308 Q CA 1.650 56.966 55.803 -0.811 0.000 0.847 308 Q CB -0.097 27.923 28.738 -1.196 0.000 0.903 308 Q HN 0.710 nan 8.270 nan 0.000 0.433 309 K N 0.032 120.177 120.400 -0.425 0.000 2.148 309 K HA -0.141 4.179 4.320 0.000 0.000 0.204 309 K C 1.986 178.437 176.600 -0.247 0.000 1.050 309 K CA 0.647 56.777 56.287 -0.261 0.000 0.942 309 K CB -0.031 32.362 32.500 -0.179 0.000 0.724 309 K HN 0.140 nan 8.250 nan 0.000 0.446 310 L N 1.491 122.519 121.223 -0.325 0.000 2.141 310 L HA -0.131 4.209 4.340 0.000 0.000 0.209 310 L C 2.367 179.091 176.870 -0.243 0.000 1.094 310 L CA 1.851 56.495 54.840 -0.327 0.000 0.763 310 L CB -0.900 40.859 42.059 -0.499 0.000 0.908 310 L HN 0.304 nan 8.230 nan 0.000 0.437 311 T N -4.377 110.037 114.554 -0.233 0.000 2.849 311 T HA -0.096 4.254 4.350 0.000 0.000 0.270 311 T C 1.859 176.491 174.700 -0.112 0.000 1.066 311 T CA 1.057 63.065 62.100 -0.154 0.000 1.130 311 T CB -0.951 67.836 68.868 -0.135 0.000 0.864 311 T HN 0.364 nan 8.240 nan 0.000 0.481 312 G N 1.582 110.311 108.800 -0.119 0.000 2.439 312 G HA2 -0.029 3.931 3.960 0.000 0.000 0.212 312 G HA3 -0.029 3.931 3.960 0.000 0.000 0.212 312 G C 1.892 176.749 174.900 -0.070 0.000 1.199 312 G CA -0.132 44.917 45.100 -0.085 0.000 0.807 312 G HN 0.341 nan 8.290 nan 0.000 0.537 313 R N 0.511 120.963 120.500 -0.080 0.000 2.092 313 R HA 0.019 4.359 4.340 0.000 0.000 0.231 313 R C -0.067 176.214 176.300 -0.031 0.000 1.119 313 R CA 1.036 57.104 56.100 -0.054 0.000 0.970 313 R CB -0.433 29.831 30.300 -0.062 0.000 0.864 313 R HN 0.399 nan 8.270 nan 0.000 0.440 314 D N -0.413 119.965 120.400 -0.036 0.000 2.411 314 D HA 0.156 4.796 4.640 0.000 0.000 0.239 314 D C -2.156 174.153 176.300 0.014 0.000 1.307 314 D CA -1.852 52.161 54.000 0.021 0.000 0.930 314 D CB 1.360 42.227 40.800 0.112 0.000 1.395 314 D HN -0.170 nan 8.370 nan 0.000 0.536 315 P HA 0.020 nan 4.420 nan 0.000 0.228 315 P C 0.010 177.315 177.300 0.007 0.000 1.151 315 P CA 0.672 63.759 63.100 -0.021 0.000 0.770 315 P CB 0.470 32.154 31.700 -0.027 0.000 0.786 316 D N -1.703 118.715 120.400 0.030 0.000 2.424 316 D HA 0.084 4.724 4.640 0.000 0.000 0.220 316 D C 1.177 177.515 176.300 0.063 0.000 1.150 316 D CA -0.468 53.556 54.000 0.039 0.000 0.831 316 D CB -0.475 40.327 40.800 0.002 0.000 0.981 316 D HN 0.073 nan 8.370 nan 0.000 0.500 317 F N 1.412 121.311 119.950 -0.085 0.000 2.120 317 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 317 F C 2.060 177.842 175.800 -0.029 0.000 1.095 317 F CA 1.931 59.878 58.000 -0.088 0.000 1.249 317 F CB 0.038 38.936 39.000 -0.170 0.000 0.995 317 F HN 0.123 nan 8.300 nan 0.000 0.480 318 H N -1.372 117.664 119.070 -0.056 0.000 2.363 318 H HA -0.063 4.493 4.556 0.000 0.000 0.301 318 H C 2.412 177.666 175.328 -0.123 0.000 1.074 318 H CA 0.830 56.709 56.048 -0.282 0.000 1.354 318 H CB -0.096 29.302 29.762 -0.606 0.000 1.397 318 H HN 0.161 nan 8.280 nan 0.000 0.516 319 R N 1.225 121.835 120.500 0.185 0.000 2.073 319 R HA -0.129 4.211 4.340 0.000 0.000 0.234 319 R C 2.458 178.873 176.300 0.193 0.000 1.134 319 R CA 1.280 57.537 56.100 0.262 0.000 0.952 319 R CB -0.027 30.418 30.300 0.241 0.000 0.850 319 R HN 0.195 nan 8.270 nan 0.000 0.433 320 R N 0.374 120.909 120.500 0.058 0.000 2.073 320 R HA -0.149 4.191 4.340 0.000 0.000 0.234 320 R C 2.142 178.443 176.300 0.001 0.000 1.134 320 R CA 1.642 57.754 56.100 0.020 0.000 0.952 320 R CB -0.254 30.008 30.300 -0.063 0.000 0.850 320 R HN 0.247 nan 8.270 nan 0.000 0.433 321 E N 0.812 120.910 120.200 -0.170 0.000 2.077 321 E HA -0.210 4.140 4.350 0.000 0.000 0.193 321 E C 2.008 178.594 176.600 -0.023 0.000 0.989 321 E CA 1.180 57.464 56.400 -0.195 0.000 0.800 321 E CB -0.114 29.320 29.700 -0.444 0.000 0.746 321 E HN 0.296 nan 8.360 nan 0.000 0.452 322 L N 0.619 121.875 121.223 0.054 0.000 2.027 322 L HA -0.125 4.215 4.340 0.000 0.000 0.206 322 L C 2.283 179.260 176.870 0.178 0.000 1.074 322 L CA 1.754 56.670 54.840 0.127 0.000 0.745 322 L CB -0.835 41.359 42.059 0.226 0.000 0.898 322 L HN 0.281 nan 8.230 nan 0.000 0.433 323 W N 0.893 122.235 121.300 0.071 0.000 2.358 323 W HA -0.206 4.455 4.660 0.000 0.000 0.303 323 W C 2.191 178.745 176.519 0.060 0.000 1.208 323 W CA 2.185 59.580 57.345 0.083 0.000 1.274 323 W CB -0.058 29.452 29.460 0.083 0.000 1.138 323 W HN 0.353 nan 8.180 nan 0.000 0.515 324 E N -0.084 120.279 120.200 0.271 0.000 2.107 324 E HA -0.118 4.232 4.350 0.000 0.000 0.191 324 E C 2.381 179.025 176.600 0.073 0.000 0.982 324 E CA 0.994 57.487 56.400 0.156 0.000 0.809 324 E CB -0.381 29.371 29.700 0.087 0.000 0.756 324 E HN 0.155 nan 8.360 nan 0.000 0.459 325 A N 1.626 124.487 122.820 0.069 0.000 1.865 325 A HA -0.218 4.102 4.320 0.000 0.000 0.217 325 A C 2.194 179.826 177.584 0.080 0.000 1.191 325 A CA 1.304 53.380 52.037 0.065 0.000 0.623 325 A CB -0.741 18.293 19.000 0.057 0.000 0.826 325 A HN 0.154 nan 8.150 nan 0.000 0.444 326 I N -0.565 120.071 120.570 0.110 0.000 2.264 326 I HA -0.254 3.916 4.170 0.000 0.000 0.248 326 I C 2.492 178.704 176.117 0.159 0.000 1.111 326 I CA 1.552 62.970 61.300 0.197 0.000 1.382 326 I CB -0.463 37.553 38.000 0.026 0.000 1.060 326 I HN 0.455 nan 8.210 nan 0.000 0.418 327 E N 0.709 120.938 120.200 0.049 0.000 2.150 327 E HA -0.149 4.201 4.350 0.000 0.000 0.193 327 E C 2.159 178.783 176.600 0.040 0.000 0.985 327 E CA 1.156 57.589 56.400 0.054 0.000 0.814 327 E CB -0.009 29.751 29.700 0.099 0.000 0.752 327 E HN 0.495 nan 8.360 nan 0.000 0.466 328 A N -0.115 122.708 122.820 0.004 0.000 2.178 328 A HA 0.224 4.544 4.320 0.000 0.000 0.211 328 A C 1.775 179.301 177.584 -0.097 0.000 1.157 328 A CA 1.017 53.026 52.037 -0.047 0.000 0.780 328 A CB 0.034 18.985 19.000 -0.082 0.000 0.828 328 A HN 0.335 nan 8.150 nan 0.000 0.476 329 G N -0.500 108.189 108.800 -0.185 0.000 2.175 329 G HA2 -0.196 3.764 3.960 0.000 0.000 0.244 329 G HA3 -0.196 3.764 3.960 0.000 0.000 0.244 329 G C -0.205 174.227 174.900 -0.779 0.000 0.982 329 G CA 0.206 44.923 45.100 -0.638 0.000 0.641 329 G HN 0.448 nan 8.290 nan 0.000 0.527 330 D N 1.266 121.469 120.400 -0.328 0.000 2.688 330 D HA 0.295 4.935 4.640 0.000 0.000 0.228 330 D C 0.642 176.884 176.300 -0.097 0.000 1.116 330 D CA -0.013 53.871 54.000 -0.193 0.000 1.023 330 D CB -0.682 40.104 40.800 -0.022 0.000 1.100 330 D HN 0.414 nan 8.370 nan 0.000 0.487 331 F N 1.353 121.304 119.950 0.002 0.000 2.538 331 F HA 0.144 4.672 4.527 0.000 0.000 0.371 331 F C -1.439 174.330 175.800 -0.052 0.000 1.087 331 F CA -2.164 55.828 58.000 -0.013 0.000 1.250 331 F CB 0.048 39.051 39.000 0.004 0.000 1.110 331 F HN -0.076 nan 8.300 nan 0.000 0.570 332 P HA 0.022 nan 4.420 nan 0.000 0.262 332 P C -1.101 176.125 177.300 -0.122 0.000 1.199 332 P CA 0.336 63.410 63.100 -0.043 0.000 0.763 332 P CB 0.381 32.130 31.700 0.082 0.000 0.790 333 E N 2.755 122.757 120.200 -0.330 0.000 2.222 333 E HA 0.467 4.817 4.350 0.000 0.000 0.267 333 E C -1.015 175.295 176.600 -0.483 0.000 0.884 333 E CA -0.637 55.620 56.400 -0.238 0.000 0.764 333 E CB 1.545 31.211 29.700 -0.056 0.000 1.169 333 E HN 0.377 nan 8.360 nan 0.000 0.413 334 Y N 0.266 120.648 120.300 0.136 0.000 2.421 334 Y HA 0.234 4.784 4.550 0.000 0.000 0.339 334 Y C -0.278 175.856 175.900 0.391 0.000 0.996 334 Y CA -0.957 57.295 58.100 0.254 0.000 1.046 334 Y CB 1.986 40.568 38.460 0.203 0.000 1.226 334 Y HN 0.479 nan 8.280 nan 0.000 0.445 335 E N 3.218 123.749 120.200 0.551 0.000 2.115 335 E HA 0.367 4.717 4.350 0.000 0.000 0.282 335 E C -1.309 175.553 176.600 0.437 0.000 0.987 335 E CA -0.918 55.749 56.400 0.445 0.000 0.797 335 E CB 0.944 30.839 29.700 0.326 0.000 1.086 335 E HN 0.629 nan 8.360 nan 0.000 0.397 336 L N 4.248 125.662 121.223 0.318 0.000 2.426 336 L HA 0.466 4.806 4.340 0.000 0.000 0.271 336 L C -0.036 176.756 176.870 -0.130 0.000 1.169 336 L CA 0.690 55.429 54.840 -0.169 0.000 0.836 336 L CB 1.033 42.922 42.059 -0.283 0.000 1.112 336 L HN 0.565 nan 8.230 nan 0.000 0.465 337 G N 4.439 113.166 108.800 -0.121 0.000 2.682 337 G HA2 0.549 4.509 3.960 0.000 0.000 0.300 337 G HA3 0.549 4.509 3.960 0.000 0.000 0.300 337 G C -1.612 173.409 174.900 0.201 0.000 1.391 337 G CA -0.510 44.565 45.100 -0.041 0.000 0.990 337 G HN 0.472 nan 8.290 nan 0.000 0.501 338 F N 0.261 120.205 119.950 -0.010 0.000 2.507 338 F HA 0.422 4.949 4.527 0.000 0.000 0.325 338 F C 0.336 176.104 175.800 -0.052 0.000 1.116 338 F CA -0.993 56.998 58.000 -0.014 0.000 0.930 338 F CB 2.687 41.670 39.000 -0.029 0.000 1.146 338 F HN 0.129 nan 8.300 nan 0.000 0.447 339 Q N 4.130 124.020 119.800 0.151 0.000 2.340 339 Q HA 0.491 4.831 4.340 0.000 0.000 0.259 339 Q C -1.127 174.903 176.000 0.051 0.000 0.964 339 Q CA -0.489 55.355 55.803 0.068 0.000 0.900 339 Q CB 2.028 30.813 28.738 0.078 0.000 1.228 339 Q HN 0.539 nan 8.270 nan 0.000 0.449 340 L N 4.279 125.541 121.223 0.064 0.000 2.313 340 L HA 0.564 4.904 4.340 0.000 0.000 0.283 340 L C -0.786 176.126 176.870 0.070 0.000 1.013 340 L CA -0.747 54.119 54.840 0.043 0.000 0.816 340 L CB 1.173 43.266 42.059 0.056 0.000 1.236 340 L HN 0.490 nan 8.230 nan 0.000 0.419 341 I N 4.583 125.212 120.570 0.098 0.000 2.465 341 I HA 0.447 4.617 4.170 0.000 0.000 0.291 341 I C -2.257 173.971 176.117 0.185 0.000 1.014 341 I CA -1.933 59.466 61.300 0.164 0.000 1.093 341 I CB 1.841 39.953 38.000 0.187 0.000 1.267 341 I HN 0.321 nan 8.210 nan 0.000 0.431 342 P HA 0.108 nan 4.420 nan 0.000 0.272 342 P C 0.530 177.918 177.300 0.147 0.000 1.223 342 P CA -0.252 62.893 63.100 0.075 0.000 0.784 342 P CB 0.898 32.630 31.700 0.053 0.000 0.923 343 E N 1.692 121.893 120.200 0.001 0.000 2.051 343 E HA -0.226 4.124 4.350 0.000 0.000 0.192 343 E C 1.473 178.173 176.600 0.167 0.000 0.991 343 E CA 0.980 57.398 56.400 0.031 0.000 0.799 343 E CB -0.044 29.570 29.700 -0.142 0.000 0.748 343 E HN 0.503 nan 8.360 nan 0.000 0.449 344 E N 0.489 120.746 120.200 0.096 0.000 2.510 344 E HA -0.189 4.162 4.350 0.000 0.000 0.202 344 E C 0.206 176.863 176.600 0.095 0.000 1.072 344 E CA 0.885 57.345 56.400 0.099 0.000 0.883 344 E CB -0.012 29.728 29.700 0.067 0.000 0.818 344 E HN 0.236 nan 8.360 nan 0.000 0.548 345 D N 1.004 121.468 120.400 0.105 0.000 2.363 345 D HA 0.002 4.642 4.640 0.000 0.000 0.214 345 D C 1.340 177.671 176.300 0.051 0.000 1.093 345 D CA 0.069 54.111 54.000 0.069 0.000 0.837 345 D CB 0.182 41.043 40.800 0.102 0.000 0.948 345 D HN 0.427 nan 8.370 nan 0.000 0.507 346 E N 0.171 120.345 120.200 -0.044 0.000 2.086 346 E HA -0.226 4.124 4.350 0.000 0.000 0.205 346 E C 0.327 176.611 176.600 -0.528 0.000 1.027 346 E CA 1.266 57.413 56.400 -0.422 0.000 0.830 346 E CB -0.076 29.195 29.700 -0.715 0.000 0.751 346 E HN 0.269 nan 8.360 nan 0.000 0.456 347 F N -0.183 119.775 119.950 0.013 0.000 2.798 347 F HA 0.279 4.806 4.527 0.000 0.000 0.291 347 F C 1.086 176.821 175.800 -0.108 0.000 1.174 347 F CA -0.192 57.789 58.000 -0.032 0.000 1.392 347 F CB 0.506 39.493 39.000 -0.022 0.000 0.966 347 F HN -0.155 nan 8.300 nan 0.000 0.509 348 K N -0.092 120.228 120.400 -0.133 0.000 2.387 348 K HA 0.175 4.496 4.320 0.000 0.000 0.198 348 K C -0.301 175.879 176.600 -0.700 0.000 1.022 348 K CA 0.089 56.125 56.287 -0.418 0.000 1.128 348 K CB 0.287 32.470 32.500 -0.529 0.000 0.853 348 K HN 0.134 nan 8.250 nan 0.000 0.523 349 F N -0.177 119.616 119.950 -0.260 0.000 2.509 349 F HA 0.180 4.707 4.527 0.000 0.000 0.334 349 F C 1.203 176.811 175.800 -0.320 0.000 1.060 349 F CA -1.032 56.714 58.000 -0.423 0.000 0.997 349 F CB 0.795 39.145 39.000 -1.083 0.000 1.271 349 F HN -0.183 nan 8.300 nan 0.000 0.488 350 D N 0.312 120.712 120.400 0.000 0.000 2.363 350 D HA 0.010 4.650 4.640 0.000 0.000 0.220 350 D C -0.283 176.107 176.300 0.151 0.000 0.994 350 D CA 0.965 55.032 54.000 0.112 0.000 0.890 350 D CB -0.230 40.718 40.800 0.247 0.000 0.906 350 D HN 0.259 nan 8.370 nan 0.000 0.530 351 F N -1.213 118.816 119.950 0.131 0.000 2.611 351 F HA 0.485 5.012 4.527 0.000 0.000 0.324 351 F C -0.085 175.696 175.800 -0.031 0.000 1.061 351 F CA -1.620 56.375 58.000 -0.008 0.000 0.954 351 F CB 0.896 39.838 39.000 -0.096 0.000 1.301 351 F HN -0.407 nan 8.300 nan 0.000 0.482 352 D N 1.395 121.793 120.400 -0.004 0.000 2.304 352 D HA 0.209 4.849 4.640 0.000 0.000 0.250 352 D C 0.878 177.111 176.300 -0.113 0.000 1.107 352 D CA -0.113 53.829 54.000 -0.097 0.000 0.885 352 D CB 1.550 42.288 40.800 -0.103 0.000 1.192 352 D HN 0.742 nan 8.370 nan 0.000 0.436 353 L N 3.195 124.288 121.223 -0.217 0.000 2.217 353 L HA -0.083 4.257 4.340 0.000 0.000 0.211 353 L C 2.033 178.776 176.870 -0.212 0.000 1.107 353 L CA 0.550 55.237 54.840 -0.254 0.000 0.783 353 L CB -0.100 41.664 42.059 -0.493 0.000 0.919 353 L HN 0.425 nan 8.230 nan 0.000 0.442 354 L N -0.797 120.327 121.223 -0.164 0.000 2.599 354 L HA 0.029 4.369 4.340 0.000 0.000 0.230 354 L C 0.476 177.300 176.870 -0.076 0.000 1.141 354 L CA -0.047 54.771 54.840 -0.037 0.000 0.877 354 L CB -0.373 41.773 42.059 0.145 0.000 1.009 354 L HN 0.140 nan 8.230 nan 0.000 0.447 355 D N 1.707 121.823 120.400 -0.474 0.000 2.316 355 D HA 0.114 4.754 4.640 0.000 0.000 0.245 355 D C -1.667 174.452 176.300 -0.300 0.000 1.171 355 D CA -2.312 51.226 54.000 -0.769 0.000 0.856 355 D CB 1.597 41.608 40.800 -1.314 0.000 1.090 355 D HN -0.090 nan 8.370 nan 0.000 0.476 356 P HA 0.006 nan 4.420 nan 0.000 0.249 356 P C 0.786 178.011 177.300 -0.125 0.000 1.229 356 P CA 0.444 63.494 63.100 -0.084 0.000 0.788 356 P CB 0.037 31.765 31.700 0.046 0.000 1.072 357 T N -4.225 110.251 114.554 -0.130 0.000 3.107 357 T HA 0.152 4.502 4.350 0.000 0.000 0.249 357 T C 0.734 175.361 174.700 -0.121 0.000 1.096 357 T CA -0.040 61.992 62.100 -0.112 0.000 1.012 357 T CB -0.158 68.691 68.868 -0.031 0.000 0.977 357 T HN -0.123 nan 8.240 nan 0.000 0.527 358 K N 2.000 122.231 120.400 -0.281 0.000 2.207 358 K HA 0.611 4.932 4.320 0.000 0.000 0.255 358 K C -0.439 175.982 176.600 -0.299 0.000 0.941 358 K CA -0.888 55.113 56.287 -0.476 0.000 0.825 358 K CB 2.226 34.275 32.500 -0.752 0.000 1.119 358 K HN 0.271 nan 8.250 nan 0.000 0.430 359 L N -0.793 120.367 121.223 -0.104 0.000 2.332 359 L HA 0.665 5.005 4.340 0.000 0.000 0.269 359 L C -0.164 176.527 176.870 -0.299 0.000 1.016 359 L CA -0.554 54.193 54.840 -0.155 0.000 0.809 359 L CB 0.420 42.457 42.059 -0.037 0.000 1.280 359 L HN 0.480 nan 8.230 nan 0.000 0.447 360 I N 1.610 122.090 120.570 -0.150 0.000 2.337 360 I HA 0.368 4.538 4.170 0.000 0.000 0.285 360 I C -2.124 174.013 176.117 0.034 0.000 1.041 360 I CA -1.720 59.544 61.300 -0.060 0.000 1.199 360 I CB 1.076 39.072 38.000 -0.008 0.000 1.370 360 I HN 0.443 nan 8.210 nan 0.000 0.470 361 P HA -0.030 nan 4.420 nan 0.000 0.261 361 P C 0.375 177.744 177.300 0.114 0.000 1.173 361 P CA 0.305 63.453 63.100 0.080 0.000 0.760 361 P CB 0.590 32.331 31.700 0.068 0.000 0.783 362 E N 1.807 122.081 120.200 0.123 0.000 2.268 362 E HA -0.183 4.167 4.350 0.000 0.000 0.195 362 E C 1.426 178.081 176.600 0.092 0.000 0.995 362 E CA 0.709 57.171 56.400 0.104 0.000 0.836 362 E CB -0.001 29.762 29.700 0.105 0.000 0.763 362 E HN 0.516 nan 8.360 nan 0.000 0.491 363 E N 0.316 120.571 120.200 0.092 0.000 2.204 363 E HA -0.137 4.213 4.350 0.000 0.000 0.194 363 E C 2.022 178.684 176.600 0.105 0.000 0.989 363 E CA 0.747 57.197 56.400 0.083 0.000 0.824 363 E CB 0.117 29.859 29.700 0.069 0.000 0.756 363 E HN 0.376 nan 8.360 nan 0.000 0.477 364 L N -0.302 121.006 121.223 0.142 0.000 2.202 364 L HA 0.051 4.391 4.340 0.000 0.000 0.205 364 L C 0.660 177.645 176.870 0.192 0.000 1.083 364 L CA 0.424 55.381 54.840 0.194 0.000 0.790 364 L CB 0.475 42.725 42.059 0.318 0.000 0.942 364 L HN -0.200 nan 8.230 nan 0.000 0.452 365 V N 1.306 121.313 119.914 0.155 0.000 2.516 365 V HA 0.279 4.399 4.120 0.000 0.000 0.271 365 V C -2.359 173.780 176.094 0.075 0.000 0.992 365 V CA -1.413 60.961 62.300 0.123 0.000 0.857 365 V CB 1.278 33.169 31.823 0.113 0.000 1.047 365 V HN -0.043 nan 8.190 nan 0.000 0.455 366 P HA 0.091 nan 4.420 nan 0.000 0.269 366 P C -0.212 177.084 177.300 -0.006 0.000 1.217 366 P CA 0.156 63.275 63.100 0.031 0.000 0.783 366 P CB 1.028 32.750 31.700 0.037 0.000 0.898 367 V N 3.102 122.983 119.914 -0.055 0.000 2.389 367 V HA 0.102 4.222 4.120 0.000 0.000 0.264 367 V C 0.887 176.964 176.094 -0.029 0.000 1.049 367 V CA -0.051 62.178 62.300 -0.119 0.000 0.932 367 V CB 0.124 31.793 31.823 -0.256 0.000 1.011 367 V HN 0.541 nan 8.190 nan 0.000 0.475 368 Q N 6.639 126.444 119.800 0.007 0.000 2.295 368 Q HA 0.272 4.613 4.340 0.000 0.000 0.259 368 Q C 0.515 176.501 176.000 -0.023 0.000 0.976 368 Q CA -0.737 55.074 55.803 0.013 0.000 0.923 368 Q CB 0.636 29.395 28.738 0.036 0.000 1.185 368 Q HN 0.818 nan 8.270 nan 0.000 0.410 369 R N 2.587 123.101 120.500 0.024 0.000 2.522 369 R HA 0.048 4.388 4.340 0.000 0.000 0.284 369 R C -0.610 175.706 176.300 0.027 0.000 1.032 369 R CA -0.171 55.980 56.100 0.085 0.000 1.049 369 R CB 0.616 31.038 30.300 0.202 0.000 0.956 369 R HN 0.518 nan 8.270 nan 0.000 0.422 370 V N 2.293 122.120 119.914 -0.144 0.000 3.013 370 V HA 0.321 4.442 4.120 0.000 0.000 0.238 370 V C 0.950 176.791 176.094 -0.422 0.000 1.161 370 V CA 1.179 63.272 62.300 -0.345 0.000 1.170 370 V CB 0.621 31.955 31.823 -0.816 0.000 0.917 370 V HN 1.068 nan 8.190 nan 0.000 0.478 371 G N -0.480 107.946 108.800 -0.623 0.000 2.430 371 G HA2 0.458 4.418 3.960 0.000 0.000 0.300 371 G HA3 0.458 4.418 3.960 0.000 0.000 0.300 371 G C -1.818 172.696 174.900 -0.643 0.000 1.330 371 G CA -0.581 43.859 45.100 -1.101 0.000 0.813 371 G HN 0.023 nan 8.290 nan 0.000 0.487 372 K N -0.336 119.729 120.400 -0.557 0.000 2.259 372 K HA 0.738 5.058 4.320 0.000 0.000 0.252 372 K C -0.734 175.908 176.600 0.070 0.000 0.936 372 K CA -0.790 55.465 56.287 -0.053 0.000 0.810 372 K CB 1.934 34.455 32.500 0.034 0.000 1.143 372 K HN 0.607 nan 8.250 nan 0.000 0.427 373 M N 4.375 124.137 119.600 0.270 0.000 2.321 373 M HA 0.403 4.883 4.480 0.000 0.000 0.315 373 M C -1.824 174.463 176.300 -0.022 0.000 1.052 373 M CA -0.746 54.664 55.300 0.183 0.000 0.936 373 M CB 1.709 34.481 32.600 0.287 0.000 1.639 373 M HN 0.314 nan 8.290 nan 0.000 0.433 374 V N 5.489 125.221 119.914 -0.303 0.000 2.487 374 V HA 0.455 4.575 4.120 0.000 0.000 0.298 374 V C -0.872 175.096 176.094 -0.211 0.000 1.028 374 V CA -0.801 61.342 62.300 -0.262 0.000 0.860 374 V CB 1.689 33.262 31.823 -0.417 0.000 0.991 374 V HN 0.711 nan 8.190 nan 0.000 0.427 375 L N 5.824 127.004 121.223 -0.073 0.000 2.259 375 L HA 0.452 4.792 4.340 0.000 0.000 0.288 375 L C 0.795 177.539 176.870 -0.211 0.000 1.051 375 L CA 0.214 55.007 54.840 -0.079 0.000 0.824 375 L CB 0.818 42.891 42.059 0.022 0.000 1.206 375 L HN 0.861 nan 8.230 nan 0.000 0.429 376 N N 1.944 120.440 118.700 -0.340 0.000 2.170 376 N HA 0.139 4.879 4.740 0.000 0.000 0.222 376 N C 0.137 175.419 175.510 -0.380 0.000 1.218 376 N CA -0.184 52.405 53.050 -0.768 0.000 0.889 376 N CB 0.659 38.484 38.487 -1.103 0.000 1.083 376 N HN 0.312 nan 8.380 nan 0.000 0.520 377 R N 0.388 120.787 120.500 -0.168 0.000 2.548 377 R HA 0.324 4.664 4.340 0.000 0.000 0.280 377 R C -1.186 175.050 176.300 -0.106 0.000 1.061 377 R CA -0.596 55.430 56.100 -0.123 0.000 0.915 377 R CB 1.366 31.604 30.300 -0.103 0.000 1.210 377 R HN 0.061 nan 8.270 nan 0.000 0.442 378 N N 3.093 121.611 118.700 -0.302 0.000 2.444 378 N HA 0.244 4.984 4.740 0.000 0.000 0.255 378 N C -2.236 173.199 175.510 -0.125 0.000 1.255 378 N CA -1.285 51.437 53.050 -0.546 0.000 0.933 378 N CB 0.483 38.073 38.487 -1.495 0.000 1.143 378 N HN 0.277 nan 8.380 nan 0.000 0.453 379 P HA 0.130 nan 4.420 nan 0.000 0.275 379 P C 0.123 177.600 177.300 0.294 0.000 1.270 379 P CA -0.097 63.201 63.100 0.331 0.000 0.791 379 P CB 0.923 32.869 31.700 0.410 0.000 1.089 380 D N -1.484 119.060 120.400 0.241 0.000 2.259 380 D HA -0.004 4.636 4.640 0.000 0.000 0.216 380 D C 0.353 176.812 176.300 0.265 0.000 0.961 380 D CA 1.246 55.380 54.000 0.224 0.000 0.878 380 D CB 0.171 41.044 40.800 0.123 0.000 1.009 380 D HN 0.365 nan 8.370 nan 0.000 0.490 381 N N -0.037 118.816 118.700 0.255 0.000 2.461 381 N HA 0.015 4.755 4.740 0.000 0.000 0.284 381 N C 0.133 175.842 175.510 0.331 0.000 1.049 381 N CA -0.331 52.883 53.050 0.273 0.000 0.889 381 N CB 1.538 40.157 38.487 0.219 0.000 1.365 381 N HN -0.162 nan 8.380 nan 0.000 0.499 382 F N 4.630 124.721 119.950 0.236 0.000 2.043 382 F HA -0.225 4.302 4.527 0.000 0.000 0.297 382 F C 1.742 177.666 175.800 0.206 0.000 1.121 382 F CA 1.671 59.811 58.000 0.234 0.000 1.199 382 F CB -0.199 38.909 39.000 0.181 0.000 0.968 382 F HN 0.610 nan 8.300 nan 0.000 0.478 383 F N 0.995 121.197 119.950 0.421 0.000 2.065 383 F HA -0.225 4.302 4.527 0.000 0.000 0.298 383 F C 2.304 178.158 175.800 0.089 0.000 1.112 383 F CA 2.058 60.211 58.000 0.256 0.000 1.212 383 F CB -0.987 38.136 39.000 0.205 0.000 0.975 383 F HN 0.025 nan 8.300 nan 0.000 0.476 384 A N -0.514 122.419 122.820 0.188 0.000 1.930 384 A HA -0.139 4.181 4.320 0.000 0.000 0.217 384 A C 2.051 179.558 177.584 -0.127 0.000 1.175 384 A CA 1.926 53.982 52.037 0.032 0.000 0.627 384 A CB -0.623 18.463 19.000 0.145 0.000 0.815 384 A HN 0.615 nan 8.150 nan 0.000 0.443 385 E N -1.319 118.822 120.200 -0.099 0.000 2.175 385 E HA -0.053 4.297 4.350 0.000 0.000 0.195 385 E C 1.935 178.424 176.600 -0.185 0.000 0.934 385 E CA 0.423 56.699 56.400 -0.205 0.000 0.870 385 E CB -0.127 29.509 29.700 -0.106 0.000 0.838 385 E HN 0.544 nan 8.360 nan 0.000 0.474 386 N N 1.368 119.963 118.700 -0.175 0.000 2.176 386 N HA -0.160 4.580 4.740 0.000 0.000 0.187 386 N C 1.834 177.156 175.510 -0.312 0.000 1.043 386 N CA 1.355 54.248 53.050 -0.262 0.000 0.851 386 N CB 0.029 38.027 38.487 -0.816 0.000 1.018 386 N HN -0.077 nan 8.380 nan 0.000 0.436 387 E N 0.931 120.881 120.200 -0.416 0.000 2.085 387 E HA -0.128 4.222 4.350 0.000 0.000 0.194 387 E C 1.750 178.169 176.600 -0.300 0.000 0.994 387 E CA 1.532 57.770 56.400 -0.271 0.000 0.801 387 E CB -0.229 29.326 29.700 -0.241 0.000 0.743 387 E HN 0.495 nan 8.360 nan 0.000 0.453 388 Q N -0.413 119.136 119.800 -0.419 0.000 2.472 388 Q HA 0.189 4.529 4.340 0.000 0.000 0.208 388 Q C -0.028 175.848 176.000 -0.206 0.000 0.958 388 Q CA 0.275 55.884 55.803 -0.323 0.000 0.932 388 Q CB 0.270 28.787 28.738 -0.369 0.000 1.007 388 Q HN 0.219 nan 8.270 nan 0.000 0.508 389 A N 1.094 123.808 122.820 -0.176 0.000 2.488 389 A HA 0.441 4.762 4.320 0.000 0.000 0.249 389 A C -0.154 177.316 177.584 -0.190 0.000 1.083 389 A CA 0.112 52.020 52.037 -0.215 0.000 0.768 389 A CB 0.240 19.177 19.000 -0.106 0.000 1.017 389 A HN 0.265 nan 8.150 nan 0.000 0.496 390 A N 2.924 125.574 122.820 -0.283 0.000 2.285 390 A HA 0.692 5.012 4.320 0.000 0.000 0.310 390 A C -0.696 176.766 177.584 -0.203 0.000 1.266 390 A CA -0.413 51.527 52.037 -0.162 0.000 0.832 390 A CB 0.072 19.008 19.000 -0.106 0.000 1.163 390 A HN 0.639 nan 8.150 nan 0.000 0.499 391 F N 1.486 121.422 119.950 -0.023 0.000 2.425 391 F HA 0.615 5.142 4.527 0.000 0.000 0.331 391 F C 0.428 176.168 175.800 -0.100 0.000 1.085 391 F CA -0.090 57.875 58.000 -0.058 0.000 1.028 391 F CB 1.754 40.681 39.000 -0.122 0.000 1.177 391 F HN 0.683 nan 8.300 nan 0.000 0.487 392 H N 3.575 122.470 119.070 -0.291 0.000 3.042 392 H HA 0.290 4.846 4.556 0.000 0.000 0.345 392 H C -2.433 172.530 175.328 -0.608 0.000 1.052 392 H CA -2.655 52.981 56.048 -0.686 0.000 1.311 392 H CB 2.614 31.823 29.762 -0.922 0.000 1.810 392 H HN 0.178 nan 8.280 nan 0.000 0.505 393 P HA 0.015 nan 4.420 nan 0.000 0.234 393 P C 0.962 178.133 177.300 -0.215 0.000 1.167 393 P CA 1.115 64.030 63.100 -0.308 0.000 0.763 393 P CB 0.157 31.733 31.700 -0.206 0.000 0.835 394 G N -1.428 106.908 108.800 -0.773 0.000 2.939 394 G HA2 -0.062 3.898 3.960 0.000 0.000 0.210 394 G HA3 -0.062 3.898 3.960 0.000 0.000 0.210 394 G C 0.256 175.056 174.900 -0.165 0.000 1.160 394 G CA -0.099 44.691 45.100 -0.515 0.000 0.770 394 G HN 0.403 nan 8.290 nan 0.000 0.543 395 H N 0.905 119.850 119.070 -0.209 0.000 3.118 395 H HA 0.364 4.920 4.556 0.000 0.000 0.266 395 H C 0.480 175.842 175.328 0.056 0.000 1.465 395 H CA -0.729 55.284 56.048 -0.058 0.000 1.460 395 H CB 0.088 29.826 29.762 -0.041 0.000 1.661 395 H HN 0.361 nan 8.280 nan 0.000 0.516 396 I N -0.201 120.434 120.570 0.108 0.000 3.217 396 I HA 0.697 4.868 4.170 0.000 0.000 0.308 396 I C -0.199 175.886 176.117 -0.054 0.000 1.091 396 I CA -1.459 59.840 61.300 -0.001 0.000 1.013 396 I CB 1.898 39.790 38.000 -0.179 0.000 1.250 396 I HN 0.160 nan 8.210 nan 0.000 0.496 397 V N -2.098 117.769 119.914 -0.078 0.000 3.078 397 V HA 0.660 4.780 4.120 0.000 0.000 0.311 397 V C -2.862 173.301 176.094 0.116 0.000 1.138 397 V CA -2.512 59.803 62.300 0.026 0.000 1.007 397 V CB 1.123 32.939 31.823 -0.011 0.000 1.045 397 V HN 0.644 nan 8.190 nan 0.000 0.432 398 P HA 0.312 nan 4.420 nan 0.000 0.260 398 P C 0.937 178.216 177.300 -0.034 0.000 1.172 398 P CA 2.010 65.155 63.100 0.074 0.000 0.760 398 P CB 0.424 32.156 31.700 0.054 0.000 0.773 399 G N 1.796 110.527 108.800 -0.115 0.000 2.255 399 G HA2 -0.142 3.818 3.960 0.000 0.000 0.196 399 G HA3 -0.142 3.818 3.960 0.000 0.000 0.196 399 G C -0.303 174.497 174.900 -0.167 0.000 0.998 399 G CA -0.459 44.562 45.100 -0.132 0.000 0.656 399 G HN 0.464 nan 8.290 nan 0.000 0.490 400 L N 0.101 121.230 121.223 -0.158 0.000 2.333 400 L HA 0.902 5.242 4.340 0.000 0.000 0.263 400 L C -0.748 176.039 176.870 -0.139 0.000 1.014 400 L CA -1.021 53.709 54.840 -0.183 0.000 0.820 400 L CB 2.263 44.144 42.059 -0.296 0.000 1.352 400 L HN 0.112 nan 8.230 nan 0.000 0.421 401 D N -0.643 119.670 120.400 -0.144 0.000 2.692 401 D HA 0.429 5.069 4.640 0.000 0.000 0.290 401 D C -1.286 174.970 176.300 -0.075 0.000 1.281 401 D CA -0.341 53.543 54.000 -0.193 0.000 0.804 401 D CB 1.887 42.637 40.800 -0.083 0.000 1.331 401 D HN 0.115 nan 8.370 nan 0.000 0.432 402 F N -0.174 119.908 119.950 0.220 0.000 2.321 402 F HA 0.536 5.063 4.527 0.000 0.000 0.318 402 F C 1.432 177.258 175.800 0.043 0.000 1.129 402 F CA -0.312 57.753 58.000 0.108 0.000 1.074 402 F CB 1.175 40.206 39.000 0.053 0.000 1.432 402 F HN 0.194 nan 8.300 nan 0.000 0.502 403 T N -3.173 111.479 114.554 0.163 0.000 2.864 403 T HA 0.295 4.645 4.350 0.000 0.000 0.289 403 T C -0.051 174.679 174.700 0.051 0.000 1.082 403 T CA -1.018 61.155 62.100 0.122 0.000 1.009 403 T CB 1.309 70.240 68.868 0.105 0.000 1.234 403 T HN 0.358 nan 8.240 nan 0.000 0.526 404 N N 1.052 119.795 118.700 0.070 0.000 2.571 404 N HA 0.014 4.754 4.740 0.000 0.000 0.189 404 N C 0.222 175.743 175.510 0.019 0.000 1.154 404 N CA 0.194 53.268 53.050 0.039 0.000 0.907 404 N CB -0.518 38.008 38.487 0.066 0.000 0.977 404 N HN 0.722 nan 8.380 nan 0.000 0.449 405 D N 2.213 122.614 120.400 0.001 0.000 2.772 405 D HA -0.110 4.530 4.640 0.000 0.000 0.227 405 D C -1.354 174.936 176.300 -0.017 0.000 1.114 405 D CA -0.637 53.382 54.000 0.030 0.000 0.832 405 D CB 1.213 41.974 40.800 -0.064 0.000 1.154 405 D HN 0.171 nan 8.370 nan 0.000 0.514 406 P HA -0.079 nan 4.420 nan 0.000 0.236 406 P C 1.511 178.826 177.300 0.026 0.000 1.177 406 P CA 0.035 63.145 63.100 0.016 0.000 0.773 406 P CB 0.447 32.141 31.700 -0.010 0.000 0.878 407 L N -0.188 121.071 121.223 0.060 0.000 2.102 407 L HA 0.029 4.369 4.340 0.000 0.000 0.202 407 L C 2.408 179.213 176.870 -0.109 0.000 1.076 407 L CA 1.210 56.088 54.840 0.064 0.000 0.761 407 L CB -1.603 40.590 42.059 0.223 0.000 0.921 407 L HN -0.174 nan 8.230 nan 0.000 0.444 408 L N -0.446 120.543 121.223 -0.389 0.000 2.012 408 L HA -0.246 4.094 4.340 0.000 0.000 0.210 408 L C 2.502 179.145 176.870 -0.378 0.000 1.073 408 L CA 1.822 56.241 54.840 -0.702 0.000 0.748 408 L CB -0.905 40.479 42.059 -1.125 0.000 0.891 408 L HN 0.379 nan 8.230 nan 0.000 0.431 409 Q N -0.187 119.452 119.800 -0.268 0.000 2.062 409 Q HA -0.210 4.130 4.340 0.000 0.000 0.209 409 Q C 2.113 178.046 176.000 -0.111 0.000 0.996 409 Q CA 2.056 57.747 55.803 -0.187 0.000 0.859 409 Q CB -1.021 27.652 28.738 -0.108 0.000 0.920 409 Q HN 0.706 nan 8.270 nan 0.000 0.415 410 G N 0.486 109.255 108.800 -0.052 0.000 2.408 410 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 410 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 410 G C 1.521 176.455 174.900 0.057 0.000 1.150 410 G CA 0.405 45.520 45.100 0.025 0.000 0.776 410 G HN 0.259 nan 8.290 nan 0.000 0.542 411 R N -0.083 120.407 120.500 -0.016 0.000 2.103 411 R HA -0.040 4.300 4.340 0.000 0.000 0.242 411 R C 2.552 178.949 176.300 0.162 0.000 1.142 411 R CA 1.145 57.293 56.100 0.080 0.000 0.960 411 R CB -0.532 29.785 30.300 0.028 0.000 0.858 411 R HN 0.360 nan 8.270 nan 0.000 0.439 412 L N -0.515 120.705 121.223 -0.005 0.000 2.127 412 L HA -0.212 4.128 4.340 0.000 0.000 0.211 412 L C 2.311 179.284 176.870 0.172 0.000 1.089 412 L CA 1.189 56.027 54.840 -0.004 0.000 0.757 412 L CB -0.508 41.376 42.059 -0.293 0.000 0.899 412 L HN 0.150 nan 8.230 nan 0.000 0.434 413 F N 0.170 120.138 119.950 0.031 0.000 2.128 413 F HA -0.200 4.327 4.527 0.000 0.000 0.295 413 F C 2.817 178.628 175.800 0.018 0.000 1.100 413 F CA 1.657 59.674 58.000 0.029 0.000 1.260 413 F CB -0.283 38.721 39.000 0.005 0.000 1.009 413 F HN -0.048 nan 8.300 nan 0.000 0.476 414 S N -0.642 115.057 115.700 -0.002 0.000 2.356 414 S HA -0.232 4.238 4.470 0.000 0.000 0.223 414 S C 2.092 176.498 174.600 -0.324 0.000 1.032 414 S CA 1.647 59.751 58.200 -0.160 0.000 1.005 414 S CB -0.834 62.328 63.200 -0.062 0.000 0.867 414 S HN 0.557 nan 8.310 nan 0.000 0.449 415 Y N 1.600 121.591 120.300 -0.515 0.000 2.224 415 Y HA -0.106 4.444 4.550 0.000 0.000 0.289 415 Y C 2.957 178.373 175.900 -0.807 0.000 1.146 415 Y CA 1.330 58.995 58.100 -0.725 0.000 1.182 415 Y CB -0.938 37.027 38.460 -0.825 0.000 0.983 415 Y HN 0.274 nan 8.280 nan 0.000 0.524 416 T N -0.480 113.656 114.554 -0.697 0.000 2.674 416 T HA -0.232 4.118 4.350 0.000 0.000 0.265 416 T C 1.435 175.915 174.700 -0.366 0.000 1.039 416 T CA 1.728 63.575 62.100 -0.420 0.000 1.150 416 T CB -0.508 68.231 68.868 -0.215 0.000 0.864 416 T HN 0.359 nan 8.240 nan 0.000 0.427 417 D N 0.515 120.642 120.400 -0.455 0.000 2.117 417 D HA -0.116 4.524 4.640 0.000 0.000 0.197 417 D C 2.296 178.445 176.300 -0.251 0.000 0.987 417 D CA 1.574 55.352 54.000 -0.370 0.000 0.829 417 D CB -0.502 39.962 40.800 -0.560 0.000 0.961 417 D HN 0.283 nan 8.370 nan 0.000 0.460 418 T N -1.133 113.257 114.554 -0.274 0.000 2.915 418 T HA -0.123 4.227 4.350 0.000 0.000 0.269 418 T C 1.783 176.348 174.700 -0.225 0.000 1.071 418 T CA 1.311 63.284 62.100 -0.211 0.000 1.132 418 T CB -0.181 68.556 68.868 -0.219 0.000 0.878 418 T HN 0.226 nan 8.240 nan 0.000 0.479 419 Q N -0.043 119.559 119.800 -0.331 0.000 2.297 419 Q HA 0.032 4.372 4.340 0.000 0.000 0.204 419 Q C 2.053 177.901 176.000 -0.254 0.000 0.962 419 Q CA 0.767 56.316 55.803 -0.424 0.000 0.879 419 Q CB -0.029 28.170 28.738 -0.898 0.000 0.947 419 Q HN 0.457 nan 8.270 nan 0.000 0.462 420 I N 0.426 120.914 120.570 -0.137 0.000 2.454 420 I HA -0.207 3.964 4.170 0.000 0.000 0.254 420 I C 2.295 178.409 176.117 -0.006 0.000 1.156 420 I CA 1.524 62.821 61.300 -0.006 0.000 1.433 420 I CB -1.244 36.763 38.000 0.011 0.000 1.082 420 I HN 0.210 nan 8.210 nan 0.000 0.432 421 S N 0.084 115.763 115.700 -0.036 0.000 2.460 421 S HA -0.010 4.460 4.470 0.000 0.000 0.226 421 S C 2.161 176.750 174.600 -0.017 0.000 1.057 421 S CA -0.068 58.124 58.200 -0.014 0.000 0.948 421 S CB -0.262 62.931 63.200 -0.012 0.000 0.822 421 S HN 0.262 nan 8.310 nan 0.000 0.512 422 R N 0.865 121.337 120.500 -0.046 0.000 2.091 422 R HA 0.117 4.457 4.340 0.000 0.000 0.238 422 R C 1.158 177.441 176.300 -0.028 0.000 1.136 422 R CA 1.549 57.625 56.100 -0.040 0.000 0.959 422 R CB -0.276 29.980 30.300 -0.073 0.000 0.856 422 R HN 0.470 nan 8.270 nan 0.000 0.437 423 L N -0.843 120.360 121.223 -0.034 0.000 2.910 423 L HA 0.328 4.668 4.340 0.000 0.000 0.252 423 L C 0.853 177.752 176.870 0.048 0.000 1.195 423 L CA 0.214 55.056 54.840 0.004 0.000 1.003 423 L CB 1.163 43.229 42.059 0.012 0.000 1.328 423 L HN 0.475 nan 8.230 nan 0.000 0.540 424 G N 0.094 108.918 108.800 0.040 0.000 2.166 424 G HA2 -0.150 3.810 3.960 0.000 0.000 0.260 424 G HA3 -0.150 3.810 3.960 0.000 0.000 0.260 424 G C 0.452 175.398 174.900 0.076 0.000 0.986 424 G CA 0.173 45.303 45.100 0.050 0.000 0.683 424 G HN 0.766 nan 8.290 nan 0.000 0.527 425 G N -1.848 107.020 108.800 0.113 0.000 2.315 425 G HA2 0.642 4.602 3.960 0.000 0.000 0.294 425 G HA3 0.642 4.602 3.960 0.000 0.000 0.294 425 G C -2.449 172.590 174.900 0.232 0.000 1.300 425 G CA 0.330 45.510 45.100 0.133 0.000 0.843 425 G HN 0.380 nan 8.290 nan 0.000 0.527 426 P HA 0.145 nan 4.420 nan 0.000 0.257 426 P C 0.060 177.391 177.300 0.051 0.000 1.281 426 P CA 0.247 63.474 63.100 0.211 0.000 0.826 426 P CB 0.250 32.031 31.700 0.136 0.000 1.237 427 N N 0.259 118.967 118.700 0.012 0.000 2.273 427 N HA 0.081 4.821 4.740 0.000 0.000 0.231 427 N C 1.041 176.343 175.510 -0.347 0.000 1.134 427 N CA -0.200 52.734 53.050 -0.192 0.000 0.856 427 N CB -0.391 38.032 38.487 -0.108 0.000 1.068 427 N HN 0.245 nan 8.380 nan 0.000 0.510 428 F N 0.848 120.786 119.950 -0.019 0.000 2.333 428 F HA -0.071 4.456 4.527 0.000 0.000 0.300 428 F C 2.244 177.990 175.800 -0.090 0.000 1.083 428 F CA 0.733 58.694 58.000 -0.064 0.000 1.395 428 F CB -0.806 38.172 39.000 -0.036 0.000 1.056 428 F HN 0.155 nan 8.300 nan 0.000 0.529 429 H N 0.689 119.201 119.070 -0.930 0.000 2.561 429 H HA 0.023 4.579 4.556 0.000 0.000 0.278 429 H C 0.731 175.862 175.328 -0.327 0.000 1.014 429 H CA 1.383 57.110 56.048 -0.536 0.000 1.211 429 H CB -0.715 28.629 29.762 -0.697 0.000 1.365 429 H HN 0.556 nan 8.280 nan 0.000 0.594 430 E N 0.975 120.744 120.200 -0.717 0.000 2.474 430 E HA 0.191 4.541 4.350 0.000 0.000 0.194 430 E C 0.389 176.864 176.600 -0.208 0.000 1.041 430 E CA -0.282 55.862 56.400 -0.426 0.000 0.874 430 E CB 0.608 30.075 29.700 -0.389 0.000 0.914 430 E HN 0.431 nan 8.360 nan 0.000 0.498 431 I N 3.132 123.596 120.570 -0.177 0.000 2.598 431 I HA -0.050 4.120 4.170 0.000 0.000 0.284 431 I C -1.505 174.543 176.117 -0.115 0.000 1.140 431 I CA -1.526 59.706 61.300 -0.114 0.000 1.420 431 I CB 0.391 38.339 38.000 -0.088 0.000 1.387 431 I HN -0.197 nan 8.210 nan 0.000 0.553 432 P HA -0.293 nan 4.420 nan 0.000 0.216 432 P C 1.756 178.977 177.300 -0.132 0.000 1.151 432 P CA 1.525 64.564 63.100 -0.103 0.000 0.953 432 P CB 0.132 31.782 31.700 -0.084 0.000 0.789 433 I N -0.977 119.486 120.570 -0.178 0.000 2.315 433 I HA -0.239 3.931 4.170 0.000 0.000 0.251 433 I C 1.513 177.536 176.117 -0.157 0.000 1.125 433 I CA 1.799 62.944 61.300 -0.258 0.000 1.392 433 I CB -0.637 37.100 38.000 -0.438 0.000 1.065 433 I HN -0.073 nan 8.210 nan 0.000 0.424 434 N N 0.517 119.143 118.700 -0.124 0.000 2.416 434 N HA 0.013 4.753 4.740 0.000 0.000 0.177 434 N C 0.385 175.885 175.510 -0.017 0.000 1.036 434 N CA 0.233 53.239 53.050 -0.073 0.000 0.901 434 N CB -0.166 38.303 38.487 -0.031 0.000 0.976 434 N HN 0.366 nan 8.380 nan 0.000 0.444 435 R N 1.858 122.338 120.500 -0.034 0.000 2.537 435 R HA 0.055 4.395 4.340 0.000 0.000 0.281 435 R C -2.132 174.202 176.300 0.057 0.000 0.988 435 R CA -0.963 55.119 56.100 -0.030 0.000 1.077 435 R CB -0.168 30.107 30.300 -0.043 0.000 0.932 435 R HN 0.087 nan 8.270 nan 0.000 0.409 436 P HA -0.047 nan 4.420 nan 0.000 0.269 436 P C 0.533 177.887 177.300 0.090 0.000 1.217 436 P CA 0.177 63.326 63.100 0.081 0.000 0.783 436 P CB 0.586 32.292 31.700 0.010 0.000 0.898 437 T N -3.155 111.465 114.554 0.111 0.000 3.022 437 T HA 0.100 4.450 4.350 0.000 0.000 0.250 437 T C 0.893 175.632 174.700 0.066 0.000 1.060 437 T CA -0.034 62.096 62.100 0.051 0.000 1.013 437 T CB -0.975 67.905 68.868 0.020 0.000 0.982 437 T HN 0.585 nan 8.240 nan 0.000 0.508 438 C N 1.474 120.826 119.300 0.088 0.000 2.345 438 C HA 0.792 5.252 4.460 0.000 0.000 0.369 438 C C -2.375 172.674 174.990 0.099 0.000 1.273 438 C CA -2.399 56.672 59.018 0.088 0.000 2.310 438 C CB 0.030 27.825 27.740 0.091 0.000 2.219 438 C HN 0.186 nan 8.230 nan 0.000 0.587 439 P HA 0.325 nan 4.420 nan 0.000 0.271 439 P C -1.240 176.141 177.300 0.135 0.000 1.218 439 P CA 0.388 63.566 63.100 0.130 0.000 0.780 439 P CB 0.001 31.822 31.700 0.201 0.000 0.901 440 Y N 0.325 120.508 120.300 -0.195 0.000 2.362 440 Y HA 0.625 5.175 4.550 0.000 0.000 0.326 440 Y C -1.583 174.011 175.900 -0.510 0.000 1.083 440 Y CA -0.878 57.093 58.100 -0.215 0.000 1.073 440 Y CB 1.173 39.530 38.460 -0.171 0.000 1.211 440 Y HN 0.419 nan 8.280 nan 0.000 0.433 441 H N 4.039 122.986 119.070 -0.205 0.000 2.856 441 H HA 0.590 5.146 4.556 0.000 0.000 0.355 441 H C -1.045 174.140 175.328 -0.238 0.000 1.079 441 H CA -0.667 55.185 56.048 -0.327 0.000 1.240 441 H CB 1.758 31.373 29.762 -0.244 0.000 1.701 441 H HN 0.894 nan 8.280 nan 0.000 0.527 442 N N 0.397 118.955 118.700 -0.237 0.000 3.517 442 N HA 0.172 4.912 4.740 0.000 0.000 0.329 442 N C -1.262 174.005 175.510 -0.405 0.000 1.569 442 N CA -0.855 52.049 53.050 -0.244 0.000 0.852 442 N CB 0.707 39.200 38.487 0.011 0.000 1.955 442 N HN 0.300 nan 8.380 nan 0.000 0.555 443 F N -0.269 119.718 119.950 0.061 0.000 2.668 443 F HA 0.389 4.916 4.527 0.000 0.000 0.301 443 F C 0.315 176.155 175.800 0.067 0.000 1.106 443 F CA -0.379 57.654 58.000 0.056 0.000 1.289 443 F CB 0.242 39.273 39.000 0.052 0.000 1.006 443 F HN 0.137 nan 8.300 nan 0.000 0.535 444 Q N 1.570 121.475 119.800 0.175 0.000 2.352 444 Q HA 0.376 4.716 4.340 0.000 0.000 0.260 444 Q C 0.121 176.196 176.000 0.126 0.000 0.976 444 Q CA 0.045 55.934 55.803 0.144 0.000 0.881 444 Q CB 1.070 29.878 28.738 0.116 0.000 1.235 444 Q HN 0.103 nan 8.270 nan 0.000 0.419 445 R N 1.457 122.026 120.500 0.115 0.000 2.855 445 R HA 0.353 4.693 4.340 0.000 0.000 0.266 445 R C -0.584 175.764 176.300 0.080 0.000 1.034 445 R CA -0.664 55.493 56.100 0.095 0.000 0.944 445 R CB 1.005 31.364 30.300 0.097 0.000 1.219 445 R HN 0.707 nan 8.270 nan 0.000 0.474 446 D N -0.281 120.156 120.400 0.062 0.000 3.395 446 D HA -0.158 4.482 4.640 0.000 0.000 0.238 446 D C 0.334 176.667 176.300 0.055 0.000 1.741 446 D CA 2.074 56.104 54.000 0.050 0.000 1.135 446 D CB -0.944 39.885 40.800 0.049 0.000 0.767 446 D HN 0.880 nan 8.370 nan 0.000 0.934 447 G N -1.714 107.117 108.800 0.052 0.000 2.650 447 G HA2 0.305 4.265 3.960 0.000 0.000 0.686 447 G HA3 0.305 4.265 3.960 0.000 0.000 0.686 447 G C -0.351 174.582 174.900 0.055 0.000 1.205 447 G CA -0.043 45.092 45.100 0.059 0.000 0.781 447 G HN 0.751 nan 8.290 nan 0.000 0.648 448 M N 1.063 120.703 119.600 0.066 0.000 2.252 448 M HA 0.454 4.934 4.480 0.000 0.000 0.329 448 M C 1.169 177.540 176.300 0.119 0.000 1.101 448 M CA 1.163 56.510 55.300 0.078 0.000 1.117 448 M CB -0.460 32.190 32.600 0.083 0.000 1.563 448 M HN 1.527 nan 8.290 nan 0.000 0.445 449 H N 0.555 119.628 119.070 0.005 0.000 2.527 449 H HA -0.196 4.360 4.556 0.000 0.000 0.321 449 H C -0.680 174.634 175.328 -0.023 0.000 1.092 449 H CA 0.921 56.965 56.048 -0.006 0.000 1.118 449 H CB -0.724 29.036 29.762 -0.004 0.000 1.536 449 H HN 0.577 nan 8.280 nan 0.000 0.407 450 R N 1.261 121.757 120.500 -0.007 0.000 2.370 450 R HA 0.056 4.396 4.340 0.000 0.000 0.309 450 R C 0.912 177.187 176.300 -0.043 0.000 1.059 450 R CA 0.054 56.147 56.100 -0.012 0.000 0.981 450 R CB 0.303 30.602 30.300 -0.003 0.000 0.972 450 R HN 0.351 nan 8.270 nan 0.000 0.437 451 M N 2.653 122.241 119.600 -0.019 0.000 2.398 451 M HA 0.229 4.709 4.480 0.000 0.000 0.261 451 M C 0.998 177.285 176.300 -0.022 0.000 1.125 451 M CA 1.010 56.298 55.300 -0.020 0.000 1.183 451 M CB -0.972 31.626 32.600 -0.003 0.000 1.322 451 M HN 0.698 nan 8.290 nan 0.000 0.467 452 G N 1.756 110.548 108.800 -0.012 0.000 2.380 452 G HA2 0.394 4.354 3.960 0.000 0.000 0.242 452 G HA3 0.394 4.354 3.960 0.000 0.000 0.242 452 G C -0.476 174.413 174.900 -0.018 0.000 1.298 452 G CA -0.351 44.739 45.100 -0.016 0.000 0.878 452 G HN 0.313 nan 8.290 nan 0.000 0.542 453 I N 2.518 123.073 120.570 -0.025 0.000 2.337 453 I HA 0.114 4.284 4.170 0.000 0.000 0.285 453 I C -0.277 175.827 176.117 -0.021 0.000 1.041 453 I CA -0.542 60.746 61.300 -0.019 0.000 1.199 453 I CB 1.146 39.135 38.000 -0.018 0.000 1.370 453 I HN 0.341 nan 8.210 nan 0.000 0.470 454 D N 4.626 125.017 120.400 -0.014 0.000 2.351 454 D HA 0.069 4.709 4.640 0.000 0.000 0.251 454 D C 1.165 177.464 176.300 -0.002 0.000 1.137 454 D CA 0.291 54.282 54.000 -0.015 0.000 0.879 454 D CB 1.708 42.506 40.800 -0.003 0.000 1.181 454 D HN 0.576 nan 8.370 nan 0.000 0.448 455 T N -0.808 113.742 114.554 -0.007 0.000 3.069 455 T HA -0.042 4.308 4.350 0.000 0.000 0.252 455 T C 0.800 175.506 174.700 0.011 0.000 1.053 455 T CA -0.558 61.542 62.100 0.000 0.000 0.964 455 T CB 0.197 69.058 68.868 -0.010 0.000 1.005 455 T HN 0.119 nan 8.240 nan 0.000 0.532 456 N N 3.253 121.960 118.700 0.012 0.000 2.412 456 N HA 0.110 4.850 4.740 0.000 0.000 0.258 456 N C -1.718 173.829 175.510 0.061 0.000 1.236 456 N CA -1.575 51.495 53.050 0.033 0.000 0.882 456 N CB 1.509 40.016 38.487 0.033 0.000 1.066 456 N HN 0.034 nan 8.380 nan 0.000 0.465 457 P HA -0.009 nan 4.420 nan 0.000 0.219 457 P C -0.564 176.795 177.300 0.099 0.000 1.146 457 P CA 0.942 64.086 63.100 0.073 0.000 0.808 457 P CB 0.217 31.956 31.700 0.064 0.000 0.779 458 A N 0.515 123.385 122.820 0.083 0.000 2.320 458 A HA 0.469 4.789 4.320 0.000 0.000 0.334 458 A C 0.404 178.107 177.584 0.198 0.000 1.147 458 A CA -0.652 51.397 52.037 0.020 0.000 0.820 458 A CB 0.260 19.058 19.000 -0.336 0.000 1.218 458 A HN 0.251 nan 8.150 nan 0.000 0.482 459 N N -0.508 118.351 118.700 0.265 0.000 2.365 459 N HA 0.347 5.087 4.740 0.000 0.000 0.257 459 N C -0.877 174.807 175.510 0.290 0.000 1.287 459 N CA -0.353 52.925 53.050 0.380 0.000 0.882 459 N CB 0.374 39.026 38.487 0.275 0.000 1.250 459 N HN 0.690 nan 8.380 nan 0.000 0.507 460 Y N -0.890 119.290 120.300 -0.201 0.000 2.625 460 Y HA 0.704 5.254 4.550 0.000 0.000 0.338 460 Y C -1.543 173.771 175.900 -0.977 0.000 1.123 460 Y CA -1.335 56.459 58.100 -0.510 0.000 1.046 460 Y CB 1.122 39.448 38.460 -0.224 0.000 1.299 460 Y HN 0.067 nan 8.280 nan 0.000 0.464 461 E N 0.717 120.477 120.200 -0.733 0.000 2.343 461 E HA 0.610 4.960 4.350 0.000 0.000 0.278 461 E C -3.274 173.216 176.600 -0.184 0.000 0.910 461 E CA -1.959 54.087 56.400 -0.590 0.000 0.757 461 E CB 1.725 31.021 29.700 -0.673 0.000 1.218 461 E HN 0.537 nan 8.360 nan 0.000 0.435 462 P HA 0.302 nan 4.420 nan 0.000 0.280 462 P C -1.279 175.972 177.300 -0.081 0.000 1.244 462 P CA -0.453 62.579 63.100 -0.113 0.000 0.784 462 P CB 0.539 32.206 31.700 -0.054 0.000 0.913 463 N N -0.983 117.582 118.700 -0.226 0.000 2.269 463 N HA 0.333 5.073 4.740 0.000 0.000 0.304 463 N C 0.465 175.919 175.510 -0.095 0.000 1.072 463 N CA -0.744 52.169 53.050 -0.227 0.000 0.802 463 N CB 1.616 39.675 38.487 -0.713 0.000 1.348 463 N HN 0.175 nan 8.380 nan 0.000 0.484 464 S N 1.606 117.304 115.700 -0.003 0.000 2.470 464 S HA -0.055 4.415 4.470 0.000 0.000 0.222 464 S C 1.651 176.260 174.600 0.015 0.000 1.024 464 S CA 0.173 58.374 58.200 0.001 0.000 0.931 464 S CB -0.837 62.377 63.200 0.024 0.000 0.791 464 S HN 0.730 nan 8.310 nan 0.000 0.513 465 I N -0.361 120.227 120.570 0.030 0.000 2.756 465 I HA 0.126 4.296 4.170 0.000 0.000 0.262 465 I C 1.337 177.480 176.117 0.044 0.000 1.225 465 I CA 1.548 62.877 61.300 0.048 0.000 1.472 465 I CB -0.404 37.647 38.000 0.084 0.000 1.094 465 I HN 0.218 nan 8.210 nan 0.000 0.454 466 N N 0.983 119.704 118.700 0.034 0.000 2.299 466 N HA 0.042 4.782 4.740 0.000 0.000 0.246 466 N C -0.104 175.510 175.510 0.173 0.000 1.254 466 N CA -0.047 53.065 53.050 0.103 0.000 0.879 466 N CB 0.054 38.612 38.487 0.119 0.000 1.214 466 N HN 0.220 nan 8.380 nan 0.000 0.510 467 D N 0.722 121.170 120.400 0.080 0.000 2.751 467 D HA -0.254 4.386 4.640 0.000 0.000 0.233 467 D C -0.070 176.099 176.300 -0.219 0.000 1.149 467 D CA 1.095 55.103 54.000 0.013 0.000 0.682 467 D CB -1.377 39.510 40.800 0.145 0.000 1.068 467 D HN 0.483 nan 8.370 nan 0.000 0.429 468 N N -1.762 116.845 118.700 -0.154 0.000 2.828 468 N HA -0.246 4.495 4.740 0.000 0.000 0.248 468 N C -0.718 174.700 175.510 -0.155 0.000 1.044 468 N CA 1.421 54.355 53.050 -0.194 0.000 0.851 468 N CB -1.292 37.033 38.487 -0.270 0.000 1.136 468 N HN 0.544 nan 8.380 nan 0.000 0.572 469 W N 1.017 122.361 121.300 0.074 0.000 2.303 469 W HA 0.429 5.090 4.660 0.000 0.000 0.334 469 W C -1.617 174.928 176.519 0.044 0.000 1.197 469 W CA -1.609 55.763 57.345 0.045 0.000 1.262 469 W CB 0.348 29.786 29.460 -0.037 0.000 1.153 469 W HN -0.034 nan 8.180 nan 0.000 0.596 470 P HA 0.154 nan 4.420 nan 0.000 0.271 470 P C -0.653 176.781 177.300 0.222 0.000 1.216 470 P CA -0.077 63.153 63.100 0.216 0.000 0.776 470 P CB 0.834 32.520 31.700 -0.023 0.000 0.881 471 R N 1.291 121.918 120.500 0.213 0.000 2.536 471 R HA 0.293 4.633 4.340 0.000 0.000 0.279 471 R C 0.453 176.793 176.300 0.068 0.000 1.001 471 R CA -0.747 55.355 56.100 0.004 0.000 1.027 471 R CB 0.930 31.031 30.300 -0.333 0.000 1.096 471 R HN 0.495 nan 8.270 nan 0.000 0.502 472 E N 0.584 120.807 120.200 0.038 0.000 2.418 472 E HA 0.043 4.393 4.350 0.000 0.000 0.261 472 E C -0.583 176.041 176.600 0.041 0.000 1.070 472 E CA 0.581 57.012 56.400 0.053 0.000 0.931 472 E CB 0.726 30.448 29.700 0.036 0.000 0.954 472 E HN 0.378 nan 8.360 nan 0.000 0.439 473 T N 3.287 117.875 114.554 0.056 0.000 2.879 473 T HA 0.315 4.665 4.350 0.000 0.000 0.290 473 T C -2.522 172.203 174.700 0.042 0.000 0.993 473 T CA -1.589 60.543 62.100 0.052 0.000 0.975 473 T CB 1.477 70.386 68.868 0.070 0.000 0.981 473 T HN 0.225 nan 8.240 nan 0.000 0.439 474 P HA 0.205 nan 4.420 nan 0.000 0.266 474 P C -2.490 174.817 177.300 0.012 0.000 1.195 474 P CA -1.201 61.908 63.100 0.015 0.000 0.768 474 P CB -0.480 31.224 31.700 0.007 0.000 0.838 475 P HA 0.185 nan 4.420 nan 0.000 0.266 475 P C 0.123 177.411 177.300 -0.020 0.000 1.195 475 P CA 0.599 63.685 63.100 -0.024 0.000 0.768 475 P CB 0.501 32.168 31.700 -0.056 0.000 0.838 476 G N 1.999 110.786 108.800 -0.021 0.000 2.600 476 G HA2 0.445 4.405 3.960 0.000 0.000 0.293 476 G HA3 0.445 4.405 3.960 0.000 0.000 0.293 476 G C -2.607 172.280 174.900 -0.021 0.000 1.408 476 G CA -0.912 44.178 45.100 -0.016 0.000 0.782 476 G HN 0.066 nan 8.290 nan 0.000 0.482 477 P HA 0.083 nan 4.420 nan 0.000 0.221 477 P C 0.054 177.346 177.300 -0.013 0.000 1.150 477 P CA 1.149 64.237 63.100 -0.019 0.000 0.800 477 P CB 0.141 31.832 31.700 -0.014 0.000 0.787 478 K N -2.079 118.320 120.400 -0.001 0.000 2.543 478 K HA 0.401 4.721 4.320 0.000 0.000 0.255 478 K C -0.522 176.090 176.600 0.021 0.000 0.934 478 K CA -0.883 55.410 56.287 0.010 0.000 0.810 478 K CB 1.765 34.272 32.500 0.012 0.000 1.315 478 K HN -0.376 nan 8.250 nan 0.000 0.433 479 R N -0.502 120.018 120.500 0.033 0.000 3.758 479 R HA -0.135 4.205 4.340 0.000 0.000 0.299 479 R C 0.108 176.434 176.300 0.044 0.000 1.182 479 R CA 1.236 57.362 56.100 0.043 0.000 0.809 479 R CB -2.398 27.927 30.300 0.042 0.000 1.249 479 R HN 1.051 nan 8.270 nan 0.000 0.497 480 G N -1.165 107.657 108.800 0.035 0.000 2.552 480 G HA2 0.651 4.611 3.960 0.000 0.000 0.318 480 G HA3 0.651 4.611 3.960 0.000 0.000 0.318 480 G C 0.264 175.195 174.900 0.052 0.000 1.240 480 G CA -0.009 45.111 45.100 0.033 0.000 1.002 480 G HN 0.272 nan 8.290 nan 0.000 0.493 481 G N -1.391 107.442 108.800 0.054 0.000 2.569 481 G HA2 0.402 4.362 3.960 0.000 0.000 0.249 481 G HA3 0.402 4.362 3.960 0.000 0.000 0.249 481 G C -0.694 174.264 174.900 0.098 0.000 1.216 481 G CA -0.525 44.630 45.100 0.090 0.000 0.845 481 G HN 0.454 nan 8.290 nan 0.000 0.568 482 F N 0.566 120.525 119.950 0.015 0.000 2.472 482 F HA 0.372 4.899 4.527 0.000 0.000 0.364 482 F C 0.563 176.371 175.800 0.012 0.000 1.090 482 F CA -0.243 57.759 58.000 0.004 0.000 1.188 482 F CB 0.783 39.785 39.000 0.004 0.000 1.105 482 F HN 0.439 nan 8.300 nan 0.000 0.536 483 E N 4.092 124.004 120.200 -0.480 0.000 2.222 483 E HA 0.347 4.697 4.350 0.000 0.000 0.267 483 E C -1.015 175.302 176.600 -0.471 0.000 0.884 483 E CA -0.807 55.441 56.400 -0.255 0.000 0.764 483 E CB 1.576 31.183 29.700 -0.155 0.000 1.169 483 E HN 0.637 nan 8.360 nan 0.000 0.413 484 S N 2.096 117.745 115.700 -0.086 0.000 2.603 484 S HA 0.053 4.523 4.470 0.000 0.000 0.268 484 S C -0.664 173.920 174.600 -0.027 0.000 1.317 484 S CA -0.442 57.755 58.200 -0.004 0.000 1.012 484 S CB 0.278 63.613 63.200 0.225 0.000 0.926 484 S HN 0.482 nan 8.310 nan 0.000 0.539 485 Y N 2.165 122.397 120.300 -0.112 0.000 2.544 485 Y HA 0.031 4.581 4.550 0.000 0.000 0.330 485 Y C 0.874 176.751 175.900 -0.040 0.000 1.136 485 Y CA -0.109 57.932 58.100 -0.097 0.000 1.417 485 Y CB 0.083 38.483 38.460 -0.100 0.000 1.229 485 Y HN 0.578 nan 8.280 nan 0.000 0.532 486 Q N 5.110 124.554 119.800 -0.593 0.000 3.047 486 Q HA -0.039 4.301 4.340 0.000 0.000 0.273 486 Q C -0.028 175.671 176.000 -0.502 0.000 1.243 486 Q CA 0.082 55.626 55.803 -0.432 0.000 0.929 486 Q CB -0.393 28.165 28.738 -0.299 0.000 1.721 486 Q HN 0.675 nan 8.270 nan 0.000 0.471 487 E N 1.702 121.665 120.200 -0.394 0.000 2.442 487 E HA -0.061 4.289 4.350 0.000 0.000 0.262 487 E C -0.111 176.449 176.600 -0.067 0.000 1.004 487 E CA -0.298 56.017 56.400 -0.141 0.000 0.928 487 E CB 0.627 30.391 29.700 0.107 0.000 0.937 487 E HN 0.208 nan 8.360 nan 0.000 0.446 488 R N 2.979 123.467 120.500 -0.019 0.000 2.340 488 R HA 0.279 4.619 4.340 0.000 0.000 0.300 488 R C -1.520 174.801 176.300 0.035 0.000 1.069 488 R CA -0.417 55.683 56.100 0.000 0.000 0.984 488 R CB 1.015 31.323 30.300 0.014 0.000 1.003 488 R HN 0.282 nan 8.270 nan 0.000 0.459 489 V N 4.371 124.300 119.914 0.025 0.000 2.555 489 V HA 0.481 4.601 4.120 0.000 0.000 0.302 489 V C -0.583 175.525 176.094 0.024 0.000 1.038 489 V CA -0.602 61.718 62.300 0.033 0.000 0.887 489 V CB 1.522 33.362 31.823 0.028 0.000 0.991 489 V HN 0.930 nan 8.190 nan 0.000 0.434 490 E N 2.592 122.808 120.200 0.026 0.000 2.343 490 E HA 0.615 4.965 4.350 0.000 0.000 0.288 490 E C -0.556 176.051 176.600 0.012 0.000 0.907 490 E CA -0.063 56.347 56.400 0.016 0.000 0.792 490 E CB 1.840 31.550 29.700 0.017 0.000 1.275 490 E HN 1.043 nan 8.360 nan 0.000 0.402 491 G N 2.626 111.429 108.800 0.004 0.000 2.320 491 G HA2 0.090 4.050 3.960 0.000 0.000 0.297 491 G HA3 0.090 4.050 3.960 0.000 0.000 0.297 491 G C -1.498 173.398 174.900 -0.007 0.000 1.344 491 G CA -0.997 44.101 45.100 -0.002 0.000 0.851 491 G HN 0.402 nan 8.290 nan 0.000 0.567 492 N N 0.129 118.822 118.700 -0.012 0.000 2.463 492 N HA 0.357 5.097 4.740 0.000 0.000 0.270 492 N C -0.097 175.402 175.510 -0.018 0.000 1.205 492 N CA -0.251 52.791 53.050 -0.014 0.000 0.974 492 N CB 0.905 39.383 38.487 -0.016 0.000 1.197 492 N HN 0.484 nan 8.380 nan 0.000 0.504 493 K N 0.841 121.229 120.400 -0.019 0.000 2.294 493 K HA 0.188 4.508 4.320 0.000 0.000 0.288 493 K C -0.329 176.253 176.600 -0.031 0.000 1.072 493 K CA -0.202 56.070 56.287 -0.024 0.000 0.960 493 K CB -0.139 32.348 32.500 -0.022 0.000 1.043 493 K HN 0.351 nan 8.250 nan 0.000 0.455 494 V N 0.111 120.001 119.914 -0.039 0.000 2.962 494 V HA 0.498 4.618 4.120 0.000 0.000 0.313 494 V C -0.534 175.522 176.094 -0.064 0.000 1.099 494 V CA -1.311 60.961 62.300 -0.047 0.000 0.971 494 V CB 2.082 33.878 31.823 -0.044 0.000 1.028 494 V HN 0.611 nan 8.190 nan 0.000 0.430 495 R N 2.505 122.962 120.500 -0.071 0.000 2.471 495 R HA 0.585 4.925 4.340 0.000 0.000 0.292 495 R C -0.515 175.735 176.300 -0.083 0.000 1.192 495 R CA -0.165 55.879 56.100 -0.094 0.000 1.257 495 R CB 0.830 31.060 30.300 -0.116 0.000 1.130 495 R HN 0.958 nan 8.270 nan 0.000 0.558 496 E N 1.834 121.982 120.200 -0.086 0.000 2.372 496 E HA 0.267 4.617 4.350 0.000 0.000 0.279 496 E C -1.318 175.214 176.600 -0.113 0.000 0.946 496 E CA -1.027 55.325 56.400 -0.081 0.000 0.769 496 E CB 1.819 31.480 29.700 -0.064 0.000 1.230 496 E HN 0.093 nan 8.360 nan 0.000 0.442 497 R N 1.440 121.879 120.500 -0.103 0.000 2.390 497 R HA 0.249 4.589 4.340 0.000 0.000 0.291 497 R C -0.682 175.521 176.300 -0.163 0.000 1.070 497 R CA -0.022 55.984 56.100 -0.156 0.000 1.014 497 R CB 1.328 31.590 30.300 -0.063 0.000 1.007 497 R HN 0.386 nan 8.270 nan 0.000 0.466 498 S N 5.449 120.961 115.700 -0.315 0.000 2.516 498 S HA 0.146 4.616 4.470 0.000 0.000 0.282 498 S C -1.496 173.102 174.600 -0.004 0.000 1.286 498 S CA -1.331 56.763 58.200 -0.176 0.000 1.066 498 S CB 0.655 63.700 63.200 -0.257 0.000 0.884 498 S HN 0.532 nan 8.310 nan 0.000 0.491 499 P HA -0.166 nan 4.420 nan 0.000 0.217 499 P C 1.620 178.977 177.300 0.096 0.000 1.151 499 P CA 1.612 64.744 63.100 0.053 0.000 0.849 499 P CB -0.262 31.455 31.700 0.028 0.000 0.787 500 S N -2.024 113.770 115.700 0.157 0.000 2.465 500 S HA -0.150 4.320 4.470 0.000 0.000 0.241 500 S C 1.601 176.339 174.600 0.229 0.000 1.000 500 S CA 0.962 59.274 58.200 0.187 0.000 0.964 500 S CB -1.480 61.860 63.200 0.233 0.000 0.763 500 S HN -0.029 nan 8.310 nan 0.000 0.512 501 F N 2.241 122.181 119.950 -0.017 0.000 2.615 501 F HA 0.356 4.883 4.527 0.000 0.000 0.297 501 F C 2.127 177.856 175.800 -0.118 0.000 1.124 501 F CA -0.491 57.495 58.000 -0.024 0.000 1.451 501 F CB -0.803 38.216 39.000 0.032 0.000 1.103 501 F HN 0.352 nan 8.300 nan 0.000 0.569 502 G N 0.635 109.438 108.800 0.006 0.000 3.392 502 G HA2 0.049 4.009 3.960 0.000 0.000 0.247 502 G HA3 0.049 4.009 3.960 0.000 0.000 0.247 502 G C 0.016 174.485 174.900 -0.718 0.000 1.161 502 G CA 0.161 45.083 45.100 -0.297 0.000 1.739 502 G HN 0.069 nan 8.290 nan 0.000 0.619 503 E N -0.049 119.638 120.200 -0.855 0.000 2.263 503 E HA 0.348 4.698 4.350 0.000 0.000 0.268 503 E C -0.910 175.245 176.600 -0.742 0.000 0.884 503 E CA -0.783 55.204 56.400 -0.689 0.000 0.766 503 E CB 1.564 31.111 29.700 -0.256 0.000 1.196 503 E HN 0.196 nan 8.360 nan 0.000 0.416 504 Y N 2.452 122.543 120.300 -0.348 0.000 2.448 504 Y HA 0.195 4.745 4.550 0.000 0.000 0.257 504 Y C 0.622 176.236 175.900 -0.477 0.000 1.089 504 Y CA -0.120 57.682 58.100 -0.496 0.000 1.245 504 Y CB 0.447 38.460 38.460 -0.745 0.000 1.282 504 Y HN 0.418 nan 8.280 nan 0.000 0.529 505 Y N -1.332 119.064 120.300 0.160 0.000 2.445 505 Y HA 0.153 4.703 4.550 0.000 0.000 0.247 505 Y C 2.259 178.221 175.900 0.103 0.000 1.129 505 Y CA 0.081 58.262 58.100 0.135 0.000 1.251 505 Y CB -0.096 38.449 38.460 0.142 0.000 1.176 505 Y HN 0.068 nan 8.280 nan 0.000 0.522 506 S N -1.280 114.549 115.700 0.215 0.000 2.436 506 S HA -0.129 4.341 4.470 0.000 0.000 0.228 506 S C 1.379 176.051 174.600 0.120 0.000 1.014 506 S CA 1.034 59.344 58.200 0.183 0.000 0.950 506 S CB -0.427 62.880 63.200 0.177 0.000 0.784 506 S HN 0.398 nan 8.310 nan 0.000 0.504 507 H N 3.029 122.006 119.070 -0.157 0.000 2.363 507 H HA 0.163 4.719 4.556 0.000 0.000 0.301 507 H C -0.738 174.379 175.328 -0.352 0.000 1.074 507 H CA 1.549 57.347 56.048 -0.417 0.000 1.354 507 H CB -1.628 27.631 29.762 -0.839 0.000 1.397 507 H HN 0.390 nan 8.280 nan 0.000 0.516 508 P HA -0.180 nan 4.420 nan 0.000 0.216 508 P C 1.462 178.950 177.300 0.313 0.000 1.153 508 P CA 1.692 64.939 63.100 0.246 0.000 0.858 508 P CB 0.099 31.971 31.700 0.287 0.000 0.789 509 R N -0.494 120.137 120.500 0.218 0.000 2.066 509 R HA -0.124 4.216 4.340 0.000 0.000 0.232 509 R C 2.236 178.658 176.300 0.203 0.000 1.131 509 R CA 1.137 57.367 56.100 0.217 0.000 0.955 509 R CB -1.077 29.312 30.300 0.149 0.000 0.851 509 R HN 0.052 nan 8.270 nan 0.000 0.432 510 L N 0.372 121.659 121.223 0.107 0.000 2.012 510 L HA -0.137 4.203 4.340 0.000 0.000 0.210 510 L C 1.960 178.880 176.870 0.084 0.000 1.073 510 L CA 1.774 56.638 54.840 0.041 0.000 0.748 510 L CB -0.797 41.212 42.059 -0.082 0.000 0.891 510 L HN 0.244 nan 8.230 nan 0.000 0.431 511 F N -0.680 119.292 119.950 0.037 0.000 2.069 511 F HA -0.298 4.229 4.527 -0.000 0.000 0.298 511 F C 2.350 178.143 175.800 -0.013 0.000 1.113 511 F CA 2.286 60.287 58.000 0.002 0.000 1.214 511 F CB -0.608 38.430 39.000 0.064 0.000 0.978 511 F HN 0.400 nan 8.300 nan 0.000 0.474 512 W N 1.297 122.553 121.300 -0.073 0.000 2.358 512 W HA -0.216 4.444 4.660 -0.000 0.000 0.303 512 W C 1.671 178.059 176.519 -0.218 0.000 1.208 512 W CA 1.606 58.859 57.345 -0.153 0.000 1.274 512 W CB -0.641 28.833 29.460 0.024 0.000 1.138 512 W HN 0.099 nan 8.180 nan 0.000 0.515 513 L N 1.041 122.166 121.223 -0.163 0.000 2.376 513 L HA -0.126 4.214 4.340 0.000 0.000 0.219 513 L C 2.267 178.952 176.870 -0.308 0.000 1.133 513 L CA 0.990 55.692 54.840 -0.230 0.000 0.816 513 L CB -0.642 41.398 42.059 -0.032 0.000 0.933 513 L HN -0.172 nan 8.230 nan 0.000 0.449 514 S N -1.367 114.125 115.700 -0.346 0.000 2.593 514 S HA 0.070 4.540 4.470 0.000 0.000 0.217 514 S C 0.625 174.944 174.600 -0.468 0.000 0.966 514 S CA 0.049 58.045 58.200 -0.340 0.000 0.914 514 S CB 0.024 63.060 63.200 -0.272 0.000 0.776 514 S HN 0.284 nan 8.310 nan 0.000 0.523 515 Q N 2.378 121.792 119.800 -0.644 0.000 2.235 515 Q HA 0.283 4.623 4.340 0.000 0.000 0.250 515 Q C 0.557 176.162 176.000 -0.658 0.000 0.909 515 Q CA -0.176 55.204 55.803 -0.705 0.000 0.910 515 Q CB 0.720 28.947 28.738 -0.852 0.000 1.223 515 Q HN 0.431 nan 8.270 nan 0.000 0.432 516 T N -1.052 113.084 114.554 -0.697 0.000 2.724 516 T HA 0.072 4.422 4.350 0.000 0.000 0.324 516 T C -1.704 172.547 174.700 -0.748 0.000 1.071 516 T CA -1.035 60.620 62.100 -0.742 0.000 1.061 516 T CB 0.156 68.332 68.868 -1.155 0.000 0.990 516 T HN 0.259 nan 8.240 nan 0.000 0.543 517 P HA -0.012 nan 4.420 nan 0.000 0.217 517 P C 1.420 178.517 177.300 -0.338 0.000 1.150 517 P CA 1.030 63.914 63.100 -0.359 0.000 0.832 517 P CB -0.251 31.352 31.700 -0.162 0.000 0.787 518 F N -0.094 119.652 119.950 -0.340 0.000 2.259 518 F HA 0.060 4.587 4.527 0.000 0.000 0.298 518 F C 1.850 177.295 175.800 -0.592 0.000 1.088 518 F CA 0.829 58.558 58.000 -0.451 0.000 1.358 518 F CB -1.524 37.196 39.000 -0.467 0.000 1.040 518 F HN -0.118 nan 8.300 nan 0.000 0.505 519 E N 0.612 120.196 120.200 -1.027 0.000 2.077 519 E HA -0.212 4.138 4.350 0.000 0.000 0.193 519 E C 2.232 178.610 176.600 -0.371 0.000 0.989 519 E CA 1.521 57.552 56.400 -0.615 0.000 0.800 519 E CB -0.261 29.031 29.700 -0.681 0.000 0.746 519 E HN 0.624 nan 8.360 nan 0.000 0.452 520 Q N 0.227 119.726 119.800 -0.502 0.000 2.084 520 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 520 Q C 2.256 178.249 176.000 -0.010 0.000 0.978 520 Q CA 1.431 56.964 55.803 -0.450 0.000 0.844 520 Q CB -0.196 28.023 28.738 -0.865 0.000 0.898 520 Q HN 0.028 nan 8.270 nan 0.000 0.426 521 R N 0.535 121.008 120.500 -0.047 0.000 2.091 521 R HA -0.166 4.174 4.340 0.000 0.000 0.238 521 R C 1.669 178.111 176.300 0.237 0.000 1.136 521 R CA 1.941 58.100 56.100 0.098 0.000 0.959 521 R CB -0.454 29.875 30.300 0.047 0.000 0.856 521 R HN 0.465 nan 8.270 nan 0.000 0.437 522 H N -0.714 118.445 119.070 0.148 0.000 2.423 522 H HA -0.021 4.535 4.556 0.000 0.000 0.297 522 H C 2.018 177.461 175.328 0.191 0.000 1.075 522 H CA 1.194 57.347 56.048 0.175 0.000 1.342 522 H CB -0.008 29.866 29.762 0.187 0.000 1.395 522 H HN 0.193 nan 8.280 nan 0.000 0.530 523 I N 0.118 120.895 120.570 0.345 0.000 2.179 523 I HA -0.267 3.903 4.170 0.000 0.000 0.242 523 I C 2.294 178.697 176.117 0.476 0.000 1.088 523 I CA 0.808 62.355 61.300 0.412 0.000 1.357 523 I CB -0.196 38.137 38.000 0.555 0.000 1.051 523 I HN 0.083 nan 8.210 nan 0.000 0.409 524 V N 1.102 121.285 119.914 0.449 0.000 2.252 524 V HA -0.353 3.767 4.120 0.000 0.000 0.249 524 V C 2.111 178.385 176.094 0.300 0.000 1.056 524 V CA 2.304 64.820 62.300 0.360 0.000 1.022 524 V CB -0.737 31.251 31.823 0.276 0.000 0.641 524 V HN 0.435 nan 8.190 nan 0.000 0.445 525 D N 0.425 120.978 120.400 0.254 0.000 2.149 525 D HA -0.125 4.515 4.640 0.000 0.000 0.198 525 D C 2.158 178.531 176.300 0.122 0.000 0.990 525 D CA 1.601 55.718 54.000 0.195 0.000 0.839 525 D CB -0.701 40.222 40.800 0.204 0.000 0.948 525 D HN 0.499 nan 8.370 nan 0.000 0.460 526 G N -0.044 108.808 108.800 0.087 0.000 2.421 526 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 526 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 526 G C 1.470 176.353 174.900 -0.027 0.000 1.171 526 G CA 0.230 45.285 45.100 -0.076 0.000 0.775 526 G HN 0.186 nan 8.290 nan 0.000 0.543 527 F N 1.771 121.768 119.950 0.078 0.000 2.134 527 F HA -0.049 4.478 4.527 0.000 0.000 0.299 527 F C 3.153 178.890 175.800 -0.104 0.000 1.097 527 F CA 1.539 59.527 58.000 -0.020 0.000 1.264 527 F CB -0.291 38.691 39.000 -0.029 0.000 1.001 527 F HN 0.080 nan 8.300 nan 0.000 0.479 528 S N 0.041 115.846 115.700 0.175 0.000 2.356 528 S HA -0.222 4.248 4.470 0.000 0.000 0.223 528 S C 1.874 176.501 174.600 0.045 0.000 1.032 528 S CA 1.375 59.625 58.200 0.082 0.000 1.005 528 S CB -0.845 62.422 63.200 0.113 0.000 0.867 528 S HN 0.401 nan 8.310 nan 0.000 0.449 529 F N 2.667 122.581 119.950 -0.059 0.000 2.075 529 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 529 F C 2.421 178.168 175.800 -0.087 0.000 1.113 529 F CA 1.549 59.503 58.000 -0.078 0.000 1.218 529 F CB -0.287 38.602 39.000 -0.185 0.000 0.984 529 F HN 0.104 nan 8.300 nan 0.000 0.472 530 E N 0.241 120.432 120.200 -0.014 0.000 2.085 530 E HA -0.218 4.132 4.350 0.000 0.000 0.194 530 E C 2.203 178.633 176.600 -0.285 0.000 0.994 530 E CA 1.241 57.602 56.400 -0.065 0.000 0.801 530 E CB -0.551 29.267 29.700 0.196 0.000 0.743 530 E HN 0.339 nan 8.360 nan 0.000 0.453 531 L N 1.163 122.149 121.223 -0.395 0.000 2.083 531 L HA -0.110 4.230 4.340 0.000 0.000 0.209 531 L C 2.381 179.096 176.870 -0.259 0.000 1.083 531 L CA 1.365 55.950 54.840 -0.424 0.000 0.752 531 L CB -1.015 40.822 42.059 -0.369 0.000 0.899 531 L HN -0.033 nan 8.230 nan 0.000 0.433 532 S N -0.638 114.925 115.700 -0.228 0.000 2.419 532 S HA -0.148 4.322 4.470 0.000 0.000 0.235 532 S C 1.702 176.190 174.600 -0.188 0.000 1.019 532 S CA 1.000 59.086 58.200 -0.190 0.000 0.982 532 S CB -0.102 62.976 63.200 -0.204 0.000 0.789 532 S HN 0.363 nan 8.310 nan 0.000 0.490 533 K N 1.078 121.339 120.400 -0.232 0.000 2.444 533 K HA 0.201 4.521 4.320 0.000 0.000 0.193 533 K C 0.053 176.645 176.600 -0.014 0.000 1.024 533 K CA 0.092 56.304 56.287 -0.125 0.000 1.077 533 K CB -0.118 32.285 32.500 -0.162 0.000 0.833 533 K HN 0.209 nan 8.250 nan 0.000 0.517 534 V N 2.174 122.058 119.914 -0.049 0.000 2.427 534 V HA -0.003 4.117 4.120 0.000 0.000 0.268 534 V C 1.764 177.839 176.094 -0.032 0.000 1.046 534 V CA -0.066 62.228 62.300 -0.010 0.000 0.970 534 V CB 1.318 33.099 31.823 -0.069 0.000 1.001 534 V HN -0.126 nan 8.190 nan 0.000 0.476 535 V N 5.137 125.053 119.914 0.005 0.000 2.453 535 V HA -0.040 4.080 4.120 0.000 0.000 0.247 535 V C 1.401 177.479 176.094 -0.028 0.000 1.048 535 V CA 1.283 63.584 62.300 0.001 0.000 1.049 535 V CB -0.391 31.452 31.823 0.033 0.000 0.672 535 V HN 0.753 nan 8.190 nan 0.000 0.457 536 R N 0.965 121.422 120.500 -0.073 0.000 2.272 536 R HA 0.157 4.497 4.340 0.000 0.000 0.334 536 R C -1.647 174.525 176.300 -0.213 0.000 1.117 536 R CA -1.388 54.635 56.100 -0.129 0.000 0.966 536 R CB 0.599 30.742 30.300 -0.260 0.000 1.049 536 R HN 0.287 nan 8.270 nan 0.000 0.477 537 P HA -0.207 nan 4.420 nan 0.000 0.218 537 P C 0.736 178.017 177.300 -0.033 0.000 1.148 537 P CA 1.171 64.245 63.100 -0.045 0.000 0.822 537 P CB -0.038 31.668 31.700 0.011 0.000 0.784 538 Y N -1.335 118.961 120.300 -0.006 0.000 2.403 538 Y HA -0.055 4.495 4.550 0.000 0.000 0.291 538 Y C 1.908 177.809 175.900 0.002 0.000 1.143 538 Y CA 0.706 58.803 58.100 -0.004 0.000 1.257 538 Y CB -1.720 36.739 38.460 -0.002 0.000 0.984 538 Y HN -0.106 nan 8.280 nan 0.000 0.550 539 I N 0.710 120.926 120.570 -0.590 0.000 2.500 539 I HA -0.167 4.003 4.170 0.000 0.000 0.252 539 I C 2.364 178.386 176.117 -0.157 0.000 1.142 539 I CA 0.938 62.015 61.300 -0.371 0.000 1.451 539 I CB -0.287 37.477 38.000 -0.394 0.000 1.093 539 I HN 0.184 nan 8.210 nan 0.000 0.430 540 R N 0.780 121.183 120.500 -0.161 0.000 2.075 540 R HA -0.144 4.196 4.340 0.000 0.000 0.232 540 R C 2.064 178.310 176.300 -0.089 0.000 1.126 540 R CA 1.260 57.273 56.100 -0.144 0.000 0.963 540 R CB -0.367 29.849 30.300 -0.139 0.000 0.858 540 R HN 0.391 nan 8.270 nan 0.000 0.435 541 E N 0.733 120.905 120.200 -0.047 0.000 2.051 541 E HA -0.168 4.182 4.350 0.000 0.000 0.192 541 E C 2.117 178.720 176.600 0.005 0.000 0.991 541 E CA 1.252 57.646 56.400 -0.011 0.000 0.799 541 E CB 0.015 29.733 29.700 0.031 0.000 0.748 541 E HN 0.280 nan 8.360 nan 0.000 0.449 542 R N 0.206 120.724 120.500 0.030 0.000 2.115 542 R HA -0.073 4.267 4.340 0.000 0.000 0.230 542 R C 2.371 178.690 176.300 0.031 0.000 1.111 542 R CA 0.885 57.012 56.100 0.046 0.000 0.976 542 R CB -0.245 30.101 30.300 0.076 0.000 0.870 542 R HN 0.060 nan 8.270 nan 0.000 0.445 543 V N 0.598 120.522 119.914 0.017 0.000 2.307 543 V HA -0.209 3.911 4.120 0.000 0.000 0.245 543 V C 2.342 178.416 176.094 -0.034 0.000 1.045 543 V CA 1.573 63.894 62.300 0.035 0.000 1.024 543 V CB -0.327 31.523 31.823 0.045 0.000 0.651 543 V HN 0.105 nan 8.190 nan 0.000 0.449 544 V N 0.511 120.378 119.914 -0.079 0.000 2.332 544 V HA -0.343 3.777 4.120 0.000 0.000 0.248 544 V C 2.290 178.342 176.094 -0.071 0.000 1.055 544 V CA 2.508 64.740 62.300 -0.113 0.000 1.038 544 V CB -0.765 30.995 31.823 -0.105 0.000 0.651 544 V HN 0.662 nan 8.190 nan 0.000 0.450 545 D N -0.625 119.765 120.400 -0.017 0.000 2.104 545 D HA -0.212 4.428 4.640 0.000 0.000 0.194 545 D C 2.293 178.655 176.300 0.102 0.000 0.994 545 D CA 1.328 55.349 54.000 0.035 0.000 0.830 545 D CB -0.041 40.797 40.800 0.063 0.000 0.959 545 D HN 0.396 nan 8.370 nan 0.000 0.452 546 Q N -0.284 119.559 119.800 0.071 0.000 2.167 546 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 546 Q C 2.545 178.581 176.000 0.061 0.000 0.970 546 Q CA 0.573 56.434 55.803 0.097 0.000 0.855 546 Q CB -0.143 28.670 28.738 0.125 0.000 0.911 546 Q HN 0.472 nan 8.270 nan 0.000 0.438 547 L N 0.148 121.338 121.223 -0.056 0.000 2.131 547 L HA -0.124 4.217 4.340 0.000 0.000 0.210 547 L C 2.337 179.095 176.870 -0.187 0.000 1.092 547 L CA 0.887 55.617 54.840 -0.184 0.000 0.759 547 L CB -0.586 41.254 42.059 -0.365 0.000 0.903 547 L HN 0.116 nan 8.230 nan 0.000 0.435 548 A N -0.897 121.837 122.820 -0.144 0.000 2.121 548 A HA -0.185 4.135 4.320 0.000 0.000 0.218 548 A C 1.660 179.063 177.584 -0.302 0.000 1.154 548 A CA 1.122 53.037 52.037 -0.204 0.000 0.679 548 A CB -0.653 18.238 19.000 -0.181 0.000 0.795 548 A HN 0.438 nan 8.150 nan 0.000 0.458 549 H N -1.293 117.557 119.070 -0.366 0.000 2.539 549 H HA 0.312 4.868 4.556 0.000 0.000 0.267 549 H C 1.474 176.512 175.328 -0.483 0.000 0.982 549 H CA 0.667 56.356 56.048 -0.599 0.000 1.146 549 H CB 0.101 29.024 29.762 -1.399 0.000 1.382 549 H HN 0.491 nan 8.280 nan 0.000 0.577 550 I N -1.224 119.245 120.570 -0.168 0.000 2.962 550 I HA 0.101 4.271 4.170 0.000 0.000 0.246 550 I C -0.159 175.884 176.117 -0.123 0.000 1.091 550 I CA 0.353 61.627 61.300 -0.044 0.000 1.469 550 I CB 0.702 38.706 38.000 0.007 0.000 1.324 550 I HN 0.074 nan 8.210 nan 0.000 0.461 551 D N -0.125 120.126 120.400 -0.248 0.000 2.966 551 D HA 0.164 4.804 4.640 0.000 0.000 0.222 551 D C 0.345 176.469 176.300 -0.293 0.000 1.292 551 D CA -0.376 53.453 54.000 -0.286 0.000 0.907 551 D CB 1.598 42.096 40.800 -0.503 0.000 1.621 551 D HN -0.012 nan 8.370 nan 0.000 0.557 552 L N 3.084 124.195 121.223 -0.187 0.000 2.083 552 L HA -0.075 4.265 4.340 0.000 0.000 0.209 552 L C 1.240 178.023 176.870 -0.145 0.000 1.083 552 L CA 1.881 56.626 54.840 -0.157 0.000 0.752 552 L CB -0.561 41.434 42.059 -0.108 0.000 0.899 552 L HN 0.578 nan 8.230 nan 0.000 0.433 553 T N 0.635 115.123 114.554 -0.110 0.000 2.821 553 T HA -0.176 4.174 4.350 0.000 0.000 0.267 553 T C 1.805 176.426 174.700 -0.132 0.000 1.046 553 T CA 1.444 63.520 62.100 -0.040 0.000 1.139 553 T CB -0.210 68.717 68.868 0.099 0.000 0.871 553 T HN 0.279 nan 8.240 nan 0.000 0.454 554 L N 1.663 122.632 121.223 -0.423 0.000 2.005 554 L HA 0.127 4.468 4.340 0.000 0.000 0.207 554 L C 2.639 179.267 176.870 -0.403 0.000 1.072 554 L CA 1.991 56.438 54.840 -0.656 0.000 0.744 554 L CB -1.129 40.105 42.059 -1.376 0.000 0.895 554 L HN 0.198 nan 8.230 nan 0.000 0.433 555 A N -1.011 121.592 122.820 -0.360 0.000 1.908 555 A HA -0.290 4.030 4.320 0.000 0.000 0.218 555 A C 2.236 179.715 177.584 -0.175 0.000 1.181 555 A CA 2.101 53.980 52.037 -0.265 0.000 0.627 555 A CB -0.689 18.176 19.000 -0.225 0.000 0.818 555 A HN 0.699 nan 8.150 nan 0.000 0.445 556 Q N -1.021 118.697 119.800 -0.138 0.000 2.046 556 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 556 Q C 2.466 178.432 176.000 -0.057 0.000 0.975 556 Q CA 1.307 57.060 55.803 -0.083 0.000 0.836 556 Q CB -0.347 28.357 28.738 -0.057 0.000 0.896 556 Q HN 0.692 nan 8.270 nan 0.000 0.428 557 A N 0.195 122.987 122.820 -0.046 0.000 1.972 557 A HA -0.121 4.199 4.320 0.000 0.000 0.219 557 A C 2.242 179.824 177.584 -0.004 0.000 1.169 557 A CA 1.263 53.300 52.037 0.001 0.000 0.635 557 A CB -0.430 18.601 19.000 0.052 0.000 0.810 557 A HN 0.212 nan 8.150 nan 0.000 0.446 558 V N -0.378 119.505 119.914 -0.052 0.000 2.407 558 V HA -0.132 3.988 4.120 0.000 0.000 0.245 558 V C 3.004 179.063 176.094 -0.058 0.000 1.041 558 V CA 1.553 63.822 62.300 -0.052 0.000 1.040 558 V CB -1.291 30.449 31.823 -0.139 0.000 0.671 558 V HN 0.570 nan 8.190 nan 0.000 0.455 559 A N 0.221 122.994 122.820 -0.078 0.000 1.908 559 A HA -0.298 4.022 4.320 0.000 0.000 0.218 559 A C 2.355 179.919 177.584 -0.034 0.000 1.181 559 A CA 2.386 54.386 52.037 -0.062 0.000 0.627 559 A CB -0.516 18.445 19.000 -0.066 0.000 0.818 559 A HN 0.528 nan 8.150 nan 0.000 0.445 560 K N -0.541 119.846 120.400 -0.022 0.000 2.097 560 K HA -0.141 4.179 4.320 0.000 0.000 0.205 560 K C 1.287 177.891 176.600 0.007 0.000 1.050 560 K CA 1.363 57.647 56.287 -0.004 0.000 0.938 560 K CB -0.187 32.316 32.500 0.005 0.000 0.718 560 K HN 0.416 nan 8.250 nan 0.000 0.442 561 N N 0.812 119.520 118.700 0.014 0.000 2.459 561 N HA -0.082 4.658 4.740 0.000 0.000 0.181 561 N C 1.294 176.810 175.510 0.009 0.000 1.046 561 N CA 0.767 53.834 53.050 0.027 0.000 0.904 561 N CB 0.126 38.644 38.487 0.051 0.000 0.964 561 N HN 0.275 nan 8.380 nan 0.000 0.444 562 L N -0.801 120.416 121.223 -0.011 0.000 2.607 562 L HA 0.240 4.580 4.340 0.000 0.000 0.228 562 L C 0.965 177.824 176.870 -0.020 0.000 1.123 562 L CA -0.044 54.780 54.840 -0.026 0.000 0.890 562 L CB -0.073 41.956 42.059 -0.050 0.000 1.103 562 L HN 0.080 nan 8.230 nan 0.000 0.468 563 G N 1.598 110.392 108.800 -0.011 0.000 2.198 563 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 563 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 563 G C 0.053 174.945 174.900 -0.013 0.000 1.025 563 G CA 0.166 45.262 45.100 -0.008 0.000 0.769 563 G HN 0.325 nan 8.290 nan 0.000 0.507 564 I N -0.211 120.346 120.570 -0.021 0.000 2.525 564 I HA 0.450 4.620 4.170 0.000 0.000 0.301 564 I C 0.311 176.413 176.117 -0.025 0.000 0.992 564 I CA -0.739 60.547 61.300 -0.024 0.000 1.162 564 I CB 1.638 39.618 38.000 -0.034 0.000 1.332 564 I HN 0.065 nan 8.210 nan 0.000 0.458 565 E N 5.547 125.734 120.200 -0.022 0.000 2.158 565 E HA 0.444 4.794 4.350 0.000 0.000 0.271 565 E C -1.028 175.555 176.600 -0.029 0.000 0.911 565 E CA -0.678 55.708 56.400 -0.023 0.000 0.767 565 E CB 1.795 31.486 29.700 -0.016 0.000 1.120 565 E HN 0.387 nan 8.360 nan 0.000 0.405 566 L N 2.608 123.808 121.223 -0.038 0.000 2.461 566 L HA 0.138 4.478 4.340 0.000 0.000 0.272 566 L C 1.215 178.063 176.870 -0.037 0.000 1.197 566 L CA -0.145 54.669 54.840 -0.044 0.000 0.836 566 L CB 0.145 42.168 42.059 -0.060 0.000 1.105 566 L HN 0.661 nan 8.230 nan 0.000 0.477 567 T N -2.284 112.248 114.554 -0.037 0.000 2.770 567 T HA 0.083 4.433 4.350 0.000 0.000 0.281 567 T C 0.633 175.310 174.700 -0.039 0.000 0.981 567 T CA -0.435 61.645 62.100 -0.032 0.000 0.955 567 T CB 1.049 69.901 68.868 -0.027 0.000 1.060 567 T HN 0.592 nan 8.240 nan 0.000 0.531 568 D N -0.051 120.329 120.400 -0.033 0.000 2.123 568 D HA -0.018 4.622 4.640 0.000 0.000 0.200 568 D C 1.659 177.932 176.300 -0.044 0.000 0.976 568 D CA 0.922 54.901 54.000 -0.035 0.000 0.831 568 D CB -0.068 40.716 40.800 -0.026 0.000 0.974 568 D HN 0.565 nan 8.370 nan 0.000 0.469 569 D N 0.238 120.613 120.400 -0.042 0.000 2.123 569 D HA -0.156 4.484 4.640 0.000 0.000 0.196 569 D C 1.951 178.202 176.300 -0.081 0.000 0.992 569 D CA 0.886 54.856 54.000 -0.051 0.000 0.833 569 D CB -0.196 40.583 40.800 -0.035 0.000 0.954 569 D HN 0.340 nan 8.370 nan 0.000 0.455 570 Q N -0.572 119.178 119.800 -0.082 0.000 2.119 570 Q HA -0.067 4.273 4.340 0.000 0.000 0.201 570 Q C 1.883 177.804 176.000 -0.132 0.000 0.972 570 Q CA 0.387 56.119 55.803 -0.118 0.000 0.847 570 Q CB 0.063 28.748 28.738 -0.088 0.000 0.903 570 Q HN 0.169 nan 8.270 nan 0.000 0.433 571 L N 0.603 121.769 121.223 -0.095 0.000 2.201 571 L HA -0.110 4.230 4.340 0.000 0.000 0.212 571 L C 1.067 177.883 176.870 -0.090 0.000 1.105 571 L CA 1.662 56.450 54.840 -0.087 0.000 0.775 571 L CB -0.444 41.578 42.059 -0.061 0.000 0.913 571 L HN 0.186 nan 8.230 nan 0.000 0.440 572 N N -1.536 117.109 118.700 -0.092 0.000 2.280 572 N HA 0.148 4.888 4.740 0.000 0.000 0.192 572 N C 0.312 175.758 175.510 -0.106 0.000 1.109 572 N CA -0.215 52.786 53.050 -0.083 0.000 0.855 572 N CB 0.395 38.845 38.487 -0.061 0.000 0.974 572 N HN 0.172 nan 8.380 nan 0.000 0.482 573 I N 1.983 122.454 120.570 -0.165 0.000 2.741 573 I HA -0.104 4.066 4.170 0.000 0.000 0.288 573 I C 0.331 176.351 176.117 -0.161 0.000 1.192 573 I CA 0.364 61.532 61.300 -0.220 0.000 1.426 573 I CB 0.304 38.045 38.000 -0.432 0.000 1.367 573 I HN 0.086 nan 8.210 nan 0.000 0.563 574 T N 8.145 122.635 114.554 -0.107 0.000 2.902 574 T HA 0.133 4.483 4.350 0.000 0.000 0.301 574 T C -1.990 172.667 174.700 -0.072 0.000 1.012 574 T CA -0.890 61.171 62.100 -0.065 0.000 1.151 574 T CB -0.034 68.819 68.868 -0.025 0.000 0.946 574 T HN 0.409 nan 8.240 nan 0.000 0.542 575 P HA 0.244 nan 4.420 nan 0.000 0.272 575 P C -2.404 174.907 177.300 0.018 0.000 1.223 575 P CA -1.589 61.491 63.100 -0.033 0.000 0.784 575 P CB -0.513 31.177 31.700 -0.016 0.000 0.923 576 P HA 0.182 nan 4.420 nan 0.000 0.270 576 P C -2.345 175.009 177.300 0.090 0.000 1.223 576 P CA -1.136 62.033 63.100 0.115 0.000 0.785 576 P CB -1.069 30.750 31.700 0.198 0.000 0.923 577 P HA 0.040 nan 4.420 nan 0.000 0.271 577 P C -0.217 177.130 177.300 0.078 0.000 1.233 577 P CA 0.148 63.294 63.100 0.076 0.000 0.789 577 P CB 0.142 31.889 31.700 0.078 0.000 0.951 578 D N -0.562 119.877 120.400 0.065 0.000 2.414 578 D HA 0.180 4.820 4.640 0.000 0.000 0.259 578 D C -0.527 175.816 176.300 0.072 0.000 1.269 578 D CA -0.438 53.596 54.000 0.057 0.000 1.028 578 D CB -0.154 40.673 40.800 0.045 0.000 1.093 578 D HN 0.027 nan 8.370 nan 0.000 0.545 579 V N 0.865 120.814 119.914 0.060 0.000 2.313 579 V HA 0.219 4.339 4.120 0.000 0.000 0.278 579 V C -0.269 175.916 176.094 0.152 0.000 1.017 579 V CA -0.938 61.428 62.300 0.110 0.000 0.823 579 V CB -0.273 31.541 31.823 -0.014 0.000 1.010 579 V HN 0.703 nan 8.190 nan 0.000 0.443 580 N N 4.123 122.928 118.700 0.174 0.000 2.716 580 N HA -0.221 4.519 4.740 0.000 0.000 0.250 580 N C 1.179 176.747 175.510 0.095 0.000 1.033 580 N CA 1.127 54.262 53.050 0.141 0.000 0.727 580 N CB -0.854 37.756 38.487 0.205 0.000 0.950 580 N HN 1.377 nan 8.380 nan 0.000 0.541 581 G N -1.927 106.917 108.800 0.073 0.000 2.184 581 G HA2 -0.334 3.626 3.960 0.000 0.000 0.264 581 G HA3 -0.334 3.626 3.960 0.000 0.000 0.264 581 G C 0.101 175.029 174.900 0.046 0.000 0.975 581 G CA 0.429 45.559 45.100 0.051 0.000 0.642 581 G HN 0.427 nan 8.290 nan 0.000 0.536 582 L N -0.466 120.788 121.223 0.052 0.000 2.326 582 L HA 0.511 4.851 4.340 0.000 0.000 0.278 582 L C 1.162 178.045 176.870 0.021 0.000 1.092 582 L CA -0.256 54.606 54.840 0.036 0.000 0.810 582 L CB 1.435 43.517 42.059 0.038 0.000 1.153 582 L HN 0.068 nan 8.230 nan 0.000 0.439 583 K N 2.741 123.149 120.400 0.012 0.000 2.438 583 K HA 0.188 4.508 4.320 0.000 0.000 0.205 583 K C -0.875 175.718 176.600 -0.012 0.000 1.033 583 K CA -0.149 56.143 56.287 0.007 0.000 1.089 583 K CB 0.548 33.055 32.500 0.011 0.000 0.857 583 K HN 0.512 nan 8.250 nan 0.000 0.522 584 K N -0.628 119.761 120.400 -0.018 0.000 2.675 584 K HA 0.236 4.556 4.320 0.000 0.000 0.280 584 K C -2.199 174.384 176.600 -0.027 0.000 0.993 584 K CA -0.951 55.309 56.287 -0.044 0.000 0.863 584 K CB 1.327 33.785 32.500 -0.071 0.000 1.438 584 K HN -0.196 nan 8.250 nan 0.000 0.389 585 D N 2.411 122.790 120.400 -0.036 0.000 2.478 585 D HA 0.282 4.922 4.640 0.000 0.000 0.240 585 D C -2.171 174.117 176.300 -0.020 0.000 1.364 585 D CA -1.926 52.073 54.000 -0.002 0.000 0.987 585 D CB 2.252 43.074 40.800 0.036 0.000 1.328 585 D HN 0.258 nan 8.370 nan 0.000 0.584 586 P HA -0.099 nan 4.420 nan 0.000 0.222 586 P C 1.332 178.632 177.300 0.001 0.000 1.147 586 P CA 0.787 63.866 63.100 -0.035 0.000 0.790 586 P CB 0.170 31.859 31.700 -0.019 0.000 0.780 587 S N -0.903 114.829 115.700 0.054 0.000 2.507 587 S HA -0.068 4.402 4.470 0.000 0.000 0.235 587 S C 1.704 176.399 174.600 0.158 0.000 0.988 587 S CA 0.796 59.065 58.200 0.116 0.000 0.944 587 S CB -1.449 61.844 63.200 0.154 0.000 0.762 587 S HN 0.140 nan 8.310 nan 0.000 0.526 588 L N 1.152 122.432 121.223 0.097 0.000 2.418 588 L HA 0.196 4.536 4.340 0.000 0.000 0.218 588 L C 1.529 178.326 176.870 -0.122 0.000 1.125 588 L CA 0.225 55.118 54.840 0.088 0.000 0.835 588 L CB -0.386 41.707 42.059 0.057 0.000 0.953 588 L HN 0.328 nan 8.230 nan 0.000 0.454 589 S N -0.330 115.268 115.700 -0.170 0.000 2.586 589 S HA 0.287 4.757 4.470 0.000 0.000 0.274 589 S C 1.101 175.592 174.600 -0.181 0.000 1.281 589 S CA -0.629 57.412 58.200 -0.265 0.000 1.035 589 S CB 1.355 64.391 63.200 -0.274 0.000 0.962 589 S HN 0.164 nan 8.310 nan 0.000 0.512 590 L N 3.125 124.162 121.223 -0.311 0.000 2.093 590 L HA -0.015 4.325 4.340 0.000 0.000 0.208 590 L C 0.884 177.502 176.870 -0.420 0.000 1.085 590 L CA 1.250 55.817 54.840 -0.455 0.000 0.755 590 L CB -0.290 41.224 42.059 -0.908 0.000 0.904 590 L HN 0.783 nan 8.230 nan 0.000 0.435 591 Y N -2.286 118.030 120.300 0.027 0.000 2.500 591 Y HA 0.346 4.896 4.550 0.000 0.000 0.246 591 Y C 2.066 177.990 175.900 0.039 0.000 1.146 591 Y CA -0.184 57.977 58.100 0.100 0.000 1.230 591 Y CB -0.562 38.013 38.460 0.191 0.000 1.214 591 Y HN -0.032 nan 8.280 nan 0.000 0.526 592 A N 0.958 123.804 122.820 0.044 0.000 1.892 592 A HA -0.119 4.201 4.320 0.000 0.000 0.218 592 A C 0.988 178.608 177.584 0.061 0.000 1.188 592 A CA 1.297 53.333 52.037 -0.001 0.000 0.631 592 A CB -0.907 18.040 19.000 -0.089 0.000 0.822 592 A HN 0.320 nan 8.150 nan 0.000 0.447 593 I N 1.055 121.668 120.570 0.071 0.000 2.361 593 I HA 0.248 4.418 4.170 0.000 0.000 0.282 593 I C -2.573 173.621 176.117 0.129 0.000 1.075 593 I CA -2.075 59.277 61.300 0.086 0.000 1.205 593 I CB 1.158 39.198 38.000 0.067 0.000 1.406 593 I HN -0.000 nan 8.210 nan 0.000 0.481 594 P HA 0.016 nan 4.420 nan 0.000 0.264 594 P C -0.302 177.093 177.300 0.158 0.000 1.183 594 P CA 0.214 63.437 63.100 0.206 0.000 0.763 594 P CB 0.462 32.285 31.700 0.206 0.000 0.807 595 D N 0.659 121.164 120.400 0.175 0.000 2.651 595 D HA 0.129 4.769 4.640 0.000 0.000 0.280 595 D C 0.543 176.907 176.300 0.107 0.000 1.496 595 D CA -0.436 53.638 54.000 0.123 0.000 0.792 595 D CB -0.500 40.365 40.800 0.109 0.000 1.144 595 D HN 0.317 nan 8.370 nan 0.000 0.470 596 G N 0.475 109.349 108.800 0.124 0.000 2.398 596 G HA2 0.357 4.317 3.960 0.000 0.000 0.246 596 G HA3 0.357 4.317 3.960 0.000 0.000 0.246 596 G C -0.539 174.392 174.900 0.052 0.000 1.289 596 G CA -0.142 45.010 45.100 0.086 0.000 0.869 596 G HN 0.229 nan 8.290 nan 0.000 0.543 597 D N 0.494 120.910 120.400 0.027 0.000 2.498 597 D HA 0.260 4.900 4.640 0.000 0.000 0.247 597 D C 0.979 177.275 176.300 -0.006 0.000 1.070 597 D CA -0.707 53.297 54.000 0.008 0.000 0.842 597 D CB 1.986 42.786 40.800 0.001 0.000 1.361 597 D HN 0.333 nan 8.370 nan 0.000 0.484 598 V N 0.910 120.814 119.914 -0.016 0.000 3.608 598 V HA 0.244 4.365 4.120 0.000 0.000 0.269 598 V C 1.047 177.102 176.094 -0.065 0.000 1.245 598 V CA -0.060 62.221 62.300 -0.030 0.000 1.138 598 V CB -1.083 30.720 31.823 -0.032 0.000 0.841 598 V HN 0.453 nan 8.190 nan 0.000 0.451 599 K N 1.235 121.594 120.400 -0.068 0.000 2.451 599 K HA 0.422 4.743 4.320 0.000 0.000 0.280 599 K C 1.321 177.855 176.600 -0.110 0.000 1.020 599 K CA 1.122 57.346 56.287 -0.105 0.000 1.008 599 K CB 0.315 32.766 32.500 -0.082 0.000 0.917 599 K HN 0.580 nan 8.250 nan 0.000 0.478 600 G N 3.188 111.873 108.800 -0.190 0.000 2.268 600 G HA2 -0.230 3.730 3.960 0.000 0.000 0.240 600 G HA3 -0.230 3.730 3.960 0.000 0.000 0.240 600 G C 0.066 174.929 174.900 -0.060 0.000 1.010 600 G CA -0.221 44.821 45.100 -0.096 0.000 0.618 600 G HN 0.565 nan 8.290 nan 0.000 0.516 601 R N 0.122 120.573 120.500 -0.081 0.000 2.801 601 R HA 0.584 4.924 4.340 0.000 0.000 0.273 601 R C 0.224 176.524 176.300 0.000 0.000 1.080 601 R CA 0.095 56.191 56.100 -0.006 0.000 1.197 601 R CB 0.576 30.878 30.300 0.004 0.000 1.109 601 R HN 0.344 nan 8.270 nan 0.000 0.535 602 V N 0.518 120.476 119.914 0.073 0.000 2.823 602 V HA 0.422 4.542 4.120 0.000 0.000 0.312 602 V C -0.337 175.809 176.094 0.087 0.000 1.072 602 V CA -0.911 61.454 62.300 0.109 0.000 0.937 602 V CB 2.443 34.359 31.823 0.155 0.000 1.013 602 V HN 0.391 nan 8.190 nan 0.000 0.430 603 V N 2.341 122.306 119.914 0.084 0.000 2.444 603 V HA 0.737 4.857 4.120 0.000 0.000 0.294 603 V C 0.343 176.485 176.094 0.080 0.000 1.022 603 V CA -0.663 61.678 62.300 0.069 0.000 0.850 603 V CB 1.694 33.544 31.823 0.044 0.000 0.992 603 V HN 1.050 nan 8.190 nan 0.000 0.426 604 A N 6.261 129.135 122.820 0.090 0.000 2.401 604 A HA 0.785 5.105 4.320 0.000 0.000 0.259 604 A C -0.380 177.205 177.584 0.001 0.000 1.103 604 A CA -0.125 51.950 52.037 0.063 0.000 0.789 604 A CB 0.066 19.120 19.000 0.089 0.000 1.035 604 A HN 0.792 nan 8.150 nan 0.000 0.491 605 I N 3.299 123.866 120.570 -0.005 0.000 2.448 605 I HA 0.152 4.322 4.170 0.000 0.000 0.281 605 I C -1.113 175.013 176.117 0.015 0.000 1.027 605 I CA -0.661 60.643 61.300 0.007 0.000 1.111 605 I CB 1.557 39.578 38.000 0.035 0.000 1.236 605 I HN 0.354 nan 8.210 nan 0.000 0.452 606 L N 7.318 128.538 121.223 -0.005 0.000 2.363 606 L HA 0.332 4.672 4.340 0.000 0.000 0.286 606 L C 0.179 177.156 176.870 0.177 0.000 1.106 606 L CA 0.303 55.200 54.840 0.097 0.000 0.859 606 L CB 0.089 42.061 42.059 -0.146 0.000 1.223 606 L HN 0.428 nan 8.230 nan 0.000 0.446 607 L N 3.524 124.900 121.223 0.254 0.000 2.466 607 L HA 0.311 4.651 4.340 0.000 0.000 0.257 607 L C 0.342 177.419 176.870 0.345 0.000 1.189 607 L CA -0.389 54.570 54.840 0.199 0.000 0.813 607 L CB 0.724 42.825 42.059 0.071 0.000 1.118 607 L HN 0.755 nan 8.230 nan 0.000 0.471 608 N N -2.067 116.733 118.700 0.167 0.000 2.629 608 N HA 0.220 4.960 4.740 0.000 0.000 0.279 608 N C -0.354 175.141 175.510 -0.025 0.000 1.344 608 N CA -0.769 52.426 53.050 0.241 0.000 0.789 608 N CB 0.676 39.290 38.487 0.213 0.000 1.508 608 N HN 0.516 nan 8.380 nan 0.000 0.516 609 D N -1.951 118.460 120.400 0.019 0.000 2.378 609 D HA -0.063 4.577 4.640 0.000 0.000 0.227 609 D C -0.067 176.192 176.300 -0.067 0.000 1.012 609 D CA 0.734 54.670 54.000 -0.107 0.000 0.905 609 D CB -0.099 40.699 40.800 -0.004 0.000 0.895 609 D HN 0.751 nan 8.370 nan 0.000 0.532 610 E N 0.284 120.466 120.200 -0.030 0.000 3.990 610 E HA 0.180 4.530 4.350 0.000 0.000 0.246 610 E C -1.188 175.402 176.600 -0.017 0.000 1.179 610 E CA -0.529 55.856 56.400 -0.025 0.000 1.287 610 E CB 0.110 29.804 29.700 -0.010 0.000 1.241 610 E HN -0.087 nan 8.360 nan 0.000 0.406 611 V N 1.913 121.811 119.914 -0.026 0.000 2.720 611 V HA -0.012 4.108 4.120 0.000 0.000 0.307 611 V C 0.893 176.976 176.094 -0.017 0.000 1.071 611 V CA 0.446 62.739 62.300 -0.013 0.000 1.199 611 V CB 0.357 32.169 31.823 -0.019 0.000 0.900 611 V HN 0.487 nan 8.190 nan 0.000 0.494 612 R N 3.925 124.415 120.500 -0.016 0.000 2.413 612 R HA 0.045 4.385 4.340 0.000 0.000 0.333 612 R C 1.689 177.974 176.300 -0.027 0.000 1.074 612 R CA 0.734 56.819 56.100 -0.024 0.000 0.982 612 R CB 0.182 30.462 30.300 -0.034 0.000 0.981 612 R HN 0.995 nan 8.270 nan 0.000 0.452 613 S N 3.103 118.788 115.700 -0.025 0.000 2.402 613 S HA -0.263 4.207 4.470 0.000 0.000 0.233 613 S C 1.829 176.416 174.600 -0.023 0.000 1.030 613 S CA 1.140 59.327 58.200 -0.022 0.000 1.003 613 S CB -0.181 63.006 63.200 -0.021 0.000 0.813 613 S HN 0.681 nan 8.310 nan 0.000 0.477 614 A N 1.477 124.280 122.820 -0.029 0.000 2.016 614 A HA 0.025 4.345 4.320 0.000 0.000 0.217 614 A C 1.953 179.511 177.584 -0.045 0.000 1.162 614 A CA 1.201 53.219 52.037 -0.033 0.000 0.662 614 A CB -0.545 18.434 19.000 -0.035 0.000 0.812 614 A HN 0.489 nan 8.150 nan 0.000 0.450 615 D N -0.020 120.345 120.400 -0.057 0.000 2.084 615 D HA -0.107 4.533 4.640 0.000 0.000 0.196 615 D C 1.958 178.233 176.300 -0.042 0.000 0.985 615 D CA 0.723 54.672 54.000 -0.085 0.000 0.826 615 D CB -0.339 40.397 40.800 -0.106 0.000 0.978 615 D HN 0.336 nan 8.370 nan 0.000 0.456 616 L N 0.299 121.509 121.223 -0.021 0.000 2.013 616 L HA -0.215 4.125 4.340 0.000 0.000 0.212 616 L C 2.351 179.224 176.870 0.005 0.000 1.073 616 L CA 0.926 55.766 54.840 -0.001 0.000 0.753 616 L CB -0.188 41.869 42.059 -0.002 0.000 0.890 616 L HN 0.101 nan 8.230 nan 0.000 0.432 617 L N -0.244 120.977 121.223 -0.003 0.000 2.046 617 L HA -0.165 4.175 4.340 0.000 0.000 0.208 617 L C 2.716 179.591 176.870 0.008 0.000 1.077 617 L CA 2.068 56.909 54.840 0.001 0.000 0.747 617 L CB -1.003 41.053 42.059 -0.005 0.000 0.896 617 L HN 0.231 nan 8.230 nan 0.000 0.432 618 A N -0.452 122.370 122.820 0.003 0.000 1.877 618 A HA -0.212 4.108 4.320 0.000 0.000 0.216 618 A C 2.279 179.888 177.584 0.041 0.000 1.186 618 A CA 2.056 54.102 52.037 0.015 0.000 0.620 618 A CB -0.807 18.193 19.000 0.000 0.000 0.822 618 A HN 0.422 nan 8.150 nan 0.000 0.443 619 I N -0.014 120.587 120.570 0.052 0.000 2.091 619 I HA -0.313 3.857 4.170 0.000 0.000 0.239 619 I C 2.401 178.553 176.117 0.058 0.000 1.061 619 I CA 1.650 63.000 61.300 0.084 0.000 1.317 619 I CB -0.496 37.560 38.000 0.095 0.000 1.031 619 I HN 0.310 nan 8.210 nan 0.000 0.401 620 L N 0.436 121.684 121.223 0.042 0.000 2.141 620 L HA -0.192 4.148 4.340 0.000 0.000 0.209 620 L C 2.607 179.495 176.870 0.029 0.000 1.094 620 L CA 1.293 56.154 54.840 0.036 0.000 0.763 620 L CB -0.829 41.248 42.059 0.030 0.000 0.908 620 L HN 0.288 nan 8.230 nan 0.000 0.437 621 K N 1.214 121.629 120.400 0.026 0.000 2.026 621 K HA -0.193 4.127 4.320 0.000 0.000 0.208 621 K C 2.217 178.829 176.600 0.021 0.000 1.048 621 K CA 1.592 57.891 56.287 0.021 0.000 0.929 621 K CB -0.154 32.357 32.500 0.017 0.000 0.713 621 K HN 0.220 nan 8.250 nan 0.000 0.439 622 A N 1.449 124.287 122.820 0.029 0.000 1.902 622 A HA -0.096 4.225 4.320 0.000 0.000 0.217 622 A C 2.192 179.785 177.584 0.016 0.000 1.181 622 A CA 1.427 53.480 52.037 0.027 0.000 0.623 622 A CB -0.667 18.358 19.000 0.043 0.000 0.818 622 A HN 0.350 nan 8.150 nan 0.000 0.443 623 L N -0.450 120.784 121.223 0.019 0.000 2.012 623 L HA -0.238 4.102 4.340 0.000 0.000 0.210 623 L C 2.662 179.527 176.870 -0.009 0.000 1.073 623 L CA 2.062 56.904 54.840 0.003 0.000 0.748 623 L CB -0.544 41.525 42.059 0.015 0.000 0.891 623 L HN 0.481 nan 8.230 nan 0.000 0.431 624 K N 0.564 120.968 120.400 0.008 0.000 2.074 624 K HA -0.237 4.083 4.320 0.000 0.000 0.209 624 K C 2.085 178.683 176.600 -0.003 0.000 1.048 624 K CA 1.574 57.867 56.287 0.009 0.000 0.926 624 K CB -0.108 32.405 32.500 0.020 0.000 0.713 624 K HN 0.299 nan 8.250 nan 0.000 0.444 625 A N 1.197 124.016 122.820 -0.002 0.000 1.972 625 A HA -0.105 4.215 4.320 0.000 0.000 0.219 625 A C 1.665 179.240 177.584 -0.015 0.000 1.169 625 A CA 1.330 53.364 52.037 -0.005 0.000 0.635 625 A CB -0.147 18.854 19.000 0.001 0.000 0.810 625 A HN 0.184 nan 8.150 nan 0.000 0.446 626 K N -1.277 119.109 120.400 -0.024 0.000 2.404 626 K HA 0.173 4.493 4.320 0.000 0.000 0.194 626 K C 1.100 177.659 176.600 -0.068 0.000 1.023 626 K CA 0.693 56.956 56.287 -0.039 0.000 1.094 626 K CB -0.169 32.309 32.500 -0.037 0.000 0.841 626 K HN 0.777 nan 8.250 nan 0.000 0.523 627 G N 1.206 109.958 108.800 -0.080 0.000 2.143 627 G HA2 -0.234 3.726 3.960 0.000 0.000 0.248 627 G HA3 -0.234 3.726 3.960 0.000 0.000 0.248 627 G C 0.062 174.781 174.900 -0.303 0.000 0.991 627 G CA 0.230 45.246 45.100 -0.139 0.000 0.689 627 G HN 0.120 nan 8.290 nan 0.000 0.522 628 V N 1.311 121.083 119.914 -0.237 0.000 2.432 628 V HA 0.482 4.603 4.120 0.000 0.000 0.275 628 V C 0.828 176.774 176.094 -0.248 0.000 1.043 628 V CA -0.738 61.399 62.300 -0.272 0.000 0.925 628 V CB 0.916 32.673 31.823 -0.110 0.000 0.985 628 V HN 0.449 nan 8.190 nan 0.000 0.466 629 H N 2.005 121.083 119.070 0.015 0.000 2.544 629 H HA 0.768 5.324 4.556 0.000 0.000 0.365 629 H C 0.248 175.593 175.328 0.028 0.000 1.268 629 H CA 0.043 56.102 56.048 0.019 0.000 1.400 629 H CB 1.092 30.866 29.762 0.020 0.000 1.538 629 H HN 0.839 nan 8.280 nan 0.000 0.597 630 A N 0.751 123.673 122.820 0.170 0.000 2.515 630 A HA 0.601 4.921 4.320 0.000 0.000 0.296 630 A C -1.259 176.379 177.584 0.089 0.000 1.094 630 A CA -1.025 51.073 52.037 0.103 0.000 0.718 630 A CB 1.409 20.454 19.000 0.074 0.000 1.307 630 A HN 0.809 nan 8.150 nan 0.000 0.408 631 K N 1.721 122.165 120.400 0.074 0.000 2.601 631 K HA 0.583 4.903 4.320 0.000 0.000 0.249 631 K C -1.712 174.915 176.600 0.044 0.000 0.966 631 K CA -0.482 55.841 56.287 0.060 0.000 0.827 631 K CB 1.070 33.614 32.500 0.074 0.000 1.178 631 K HN 0.493 nan 8.250 nan 0.000 0.437 632 L N 4.000 125.241 121.223 0.030 0.000 2.369 632 L HA 0.260 4.600 4.340 0.000 0.000 0.279 632 L C -0.590 176.284 176.870 0.007 0.000 1.108 632 L CA -0.930 53.923 54.840 0.021 0.000 0.852 632 L CB 0.020 42.086 42.059 0.012 0.000 1.169 632 L HN 0.444 nan 8.230 nan 0.000 0.452 633 L N 4.627 125.854 121.223 0.007 0.000 2.325 633 L HA 0.559 4.899 4.340 0.000 0.000 0.278 633 L C -0.371 176.402 176.870 -0.163 0.000 1.023 633 L CA -0.262 54.527 54.840 -0.084 0.000 0.811 633 L CB 1.212 43.254 42.059 -0.029 0.000 1.249 633 L HN 0.363 nan 8.230 nan 0.000 0.431 634 Y N -0.305 119.572 120.300 -0.705 0.000 2.829 634 Y HA 0.316 4.865 4.550 -0.001 0.000 0.322 634 Y C 0.931 176.145 175.900 -1.145 0.000 1.357 634 Y CA -0.743 56.874 58.100 -0.806 0.000 1.081 634 Y CB 1.630 39.925 38.460 -0.276 0.000 1.339 634 Y HN 0.552 nan 8.280 nan 0.000 0.469 635 S N 0.755 115.547 115.700 -1.514 0.000 2.603 635 S HA 0.245 4.715 4.470 0.000 0.000 0.220 635 S C -0.068 174.299 174.600 -0.389 0.000 0.967 635 S CA 0.274 58.008 58.200 -0.778 0.000 0.920 635 S CB -0.446 62.453 63.200 -0.502 0.000 0.773 635 S HN 0.595 nan 8.310 nan 0.000 0.529 636 R N -1.466 118.889 120.500 -0.242 0.000 2.733 636 R HA 0.592 4.932 4.340 0.000 0.000 0.272 636 R C -0.902 175.402 176.300 0.005 0.000 1.029 636 R CA -1.061 55.003 56.100 -0.060 0.000 0.888 636 R CB 0.387 30.699 30.300 0.019 0.000 1.251 636 R HN -0.104 nan 8.270 nan 0.000 0.464 637 M N 0.160 119.762 119.600 0.003 0.000 2.012 637 M HA 0.530 5.010 4.480 0.000 0.000 0.248 637 M C 1.090 177.406 176.300 0.025 0.000 1.238 637 M CA 1.061 56.365 55.300 0.008 0.000 0.980 637 M CB 0.412 33.010 32.600 -0.003 0.000 1.346 637 M HN 1.047 nan 8.290 nan 0.000 0.511 638 G N 0.626 109.432 108.800 0.010 0.000 2.709 638 G HA2 -0.113 3.847 3.960 0.000 0.000 0.228 638 G HA3 -0.113 3.847 3.960 0.000 0.000 0.228 638 G C -0.838 174.055 174.900 -0.012 0.000 1.215 638 G CA 0.106 45.208 45.100 0.004 0.000 1.003 638 G HN 0.974 nan 8.290 nan 0.000 0.584 639 E N -1.394 118.789 120.200 -0.029 0.000 2.407 639 E HA 0.629 4.979 4.350 0.000 0.000 0.279 639 E C -0.580 175.956 176.600 -0.108 0.000 1.012 639 E CA -0.657 55.708 56.400 -0.059 0.000 0.800 639 E CB 2.254 31.929 29.700 -0.041 0.000 1.276 639 E HN 1.682 nan 8.360 nan 0.000 0.452 640 V N -1.517 118.304 119.914 -0.155 0.000 3.113 640 V HA 0.771 4.891 4.120 0.000 0.000 0.316 640 V C -0.421 175.595 176.094 -0.129 0.000 1.125 640 V CA -0.679 61.498 62.300 -0.206 0.000 1.026 640 V CB 1.749 33.335 31.823 -0.394 0.000 1.080 640 V HN 0.762 nan 8.190 nan 0.000 0.444 641 T N 2.086 116.573 114.554 -0.112 0.000 2.792 641 T HA 0.779 5.129 4.350 0.000 0.000 0.280 641 T C 0.320 174.980 174.700 -0.067 0.000 0.990 641 T CA 0.306 62.363 62.100 -0.072 0.000 0.960 641 T CB 1.360 70.197 68.868 -0.052 0.000 0.939 641 T HN 1.325 nan 8.240 nan 0.000 0.439 642 A N 2.408 125.196 122.820 -0.053 0.000 2.262 642 A HA 0.335 4.655 4.320 0.000 0.000 0.273 642 A C 1.560 179.125 177.584 -0.033 0.000 1.202 642 A CA -0.054 51.957 52.037 -0.043 0.000 0.811 642 A CB -0.046 18.933 19.000 -0.034 0.000 1.159 642 A HN 0.897 nan 8.150 nan 0.000 0.505 643 D N -0.262 120.122 120.400 -0.026 0.000 2.117 643 D HA -0.177 4.463 4.640 0.000 0.000 0.197 643 D C 0.724 177.012 176.300 -0.020 0.000 0.987 643 D CA 1.529 55.516 54.000 -0.021 0.000 0.829 643 D CB -0.572 40.217 40.800 -0.019 0.000 0.961 643 D HN 0.581 nan 8.370 nan 0.000 0.460 644 D N -0.813 119.575 120.400 -0.020 0.000 2.323 644 D HA 0.165 4.805 4.640 0.000 0.000 0.239 644 D C 1.552 177.842 176.300 -0.017 0.000 1.129 644 D CA 0.437 54.426 54.000 -0.017 0.000 0.865 644 D CB -0.423 40.367 40.800 -0.016 0.000 0.913 644 D HN 0.435 nan 8.370 nan 0.000 0.517 645 G N -0.260 108.527 108.800 -0.020 0.000 2.148 645 G HA2 -0.273 3.687 3.960 0.000 0.000 0.254 645 G HA3 -0.273 3.687 3.960 0.000 0.000 0.254 645 G C 0.300 175.187 174.900 -0.022 0.000 0.981 645 G CA 0.367 45.455 45.100 -0.021 0.000 0.670 645 G HN 0.443 nan 8.290 nan 0.000 0.528 646 T N 1.247 115.787 114.554 -0.024 0.000 2.752 646 T HA 0.418 4.768 4.350 0.000 0.000 0.295 646 T C 0.806 175.488 174.700 -0.031 0.000 0.923 646 T CA -0.142 61.944 62.100 -0.023 0.000 1.112 646 T CB 1.798 70.654 68.868 -0.021 0.000 0.884 646 T HN 0.393 nan 8.240 nan 0.000 0.525 647 V N 5.879 125.776 119.914 -0.028 0.000 2.446 647 V HA 0.117 4.237 4.120 0.000 0.000 0.276 647 V C 0.020 176.093 176.094 -0.035 0.000 1.030 647 V CA -0.446 61.834 62.300 -0.034 0.000 1.033 647 V CB 0.180 31.987 31.823 -0.027 0.000 0.993 647 V HN 0.551 nan 8.190 nan 0.000 0.477 648 L N 9.608 130.801 121.223 -0.050 0.000 2.276 648 L HA 0.519 4.859 4.340 0.000 0.000 0.286 648 L C -2.204 174.634 176.870 -0.054 0.000 1.024 648 L CA -2.218 52.592 54.840 -0.051 0.000 0.826 648 L CB 1.602 43.620 42.059 -0.068 0.000 1.211 648 L HN 0.421 nan 8.230 nan 0.000 0.422 649 P HA 0.318 nan 4.420 nan 0.000 0.293 649 P C -0.395 176.892 177.300 -0.022 0.000 1.300 649 P CA -0.319 62.765 63.100 -0.027 0.000 0.792 649 P CB 0.806 32.497 31.700 -0.015 0.000 0.925 650 I N 2.664 123.221 120.570 -0.022 0.000 2.371 650 I HA 0.184 4.354 4.170 0.000 0.000 0.290 650 I C 1.635 177.747 176.117 -0.008 0.000 1.028 650 I CA -0.284 61.008 61.300 -0.014 0.000 1.345 650 I CB 1.186 39.184 38.000 -0.003 0.000 1.407 650 I HN 0.362 nan 8.210 nan 0.000 0.501 651 A N 5.362 128.180 122.820 -0.004 0.000 1.898 651 A HA 0.498 4.818 4.320 0.000 0.000 0.214 651 A C 1.048 178.632 177.584 -0.000 0.000 1.183 651 A CA 1.383 53.422 52.037 0.004 0.000 0.622 651 A CB -0.009 19.000 19.000 0.016 0.000 0.824 651 A HN 0.826 nan 8.150 nan 0.000 0.444 652 A N -2.254 120.558 122.820 -0.014 0.000 2.536 652 A HA 0.595 4.915 4.320 0.000 0.000 0.293 652 A C -0.058 177.473 177.584 -0.087 0.000 1.119 652 A CA 0.144 52.168 52.037 -0.022 0.000 0.654 652 A CB -0.219 18.793 19.000 0.019 0.000 1.291 652 A HN 0.761 nan 8.150 nan 0.000 0.439 653 T N -1.943 112.558 114.554 -0.088 0.000 2.912 653 T HA 0.590 4.940 4.350 0.000 0.000 0.280 653 T C 0.845 175.482 174.700 -0.105 0.000 0.989 653 T CA -0.057 61.914 62.100 -0.214 0.000 0.995 653 T CB 0.220 69.002 68.868 -0.142 0.000 1.077 653 T HN 0.475 nan 8.240 nan 0.000 0.531 654 F N 0.449 120.432 119.950 0.054 0.000 2.126 654 F HA -0.001 4.526 4.527 -0.001 0.000 0.299 654 F C 2.925 178.866 175.800 0.235 0.000 1.096 654 F CA 1.026 59.129 58.000 0.172 0.000 1.255 654 F CB -0.673 38.399 39.000 0.120 0.000 0.997 654 F HN 0.695 nan 8.300 nan 0.000 0.479 655 A N 0.181 123.165 122.820 0.273 0.000 2.016 655 A HA 0.095 4.415 4.320 0.000 0.000 0.217 655 A C 2.403 180.054 177.584 0.111 0.000 1.162 655 A CA 1.333 53.469 52.037 0.166 0.000 0.662 655 A CB -1.282 17.779 19.000 0.102 0.000 0.812 655 A HN 0.388 nan 8.150 nan 0.000 0.450 656 G N -1.168 107.688 108.800 0.094 0.000 2.551 656 G HA2 0.346 4.306 3.960 0.000 0.000 0.216 656 G HA3 0.346 4.306 3.960 0.000 0.000 0.216 656 G C 0.581 175.531 174.900 0.083 0.000 1.137 656 G CA 0.855 45.993 45.100 0.063 0.000 0.798 656 G HN 0.980 nan 8.290 nan 0.000 0.536 657 A N 0.971 123.875 122.820 0.140 0.000 3.030 657 A HA 0.706 5.026 4.320 0.000 0.000 0.335 657 A C -2.750 174.995 177.584 0.269 0.000 1.089 657 A CA -1.174 50.965 52.037 0.170 0.000 0.807 657 A CB 1.305 20.400 19.000 0.160 0.000 1.099 657 A HN 0.079 nan 8.150 nan 0.000 0.474 658 P HA 0.084 nan 4.420 nan 0.000 0.272 658 P C 1.334 178.450 177.300 -0.305 0.000 1.240 658 P CA 0.202 63.221 63.100 -0.136 0.000 0.791 658 P CB 0.814 32.442 31.700 -0.119 0.000 0.978 659 S N 0.646 115.805 115.700 -0.902 0.000 2.440 659 S HA -0.167 4.304 4.470 0.000 0.000 0.238 659 S C 1.777 176.269 174.600 -0.180 0.000 1.010 659 S CA 1.130 59.021 58.200 -0.514 0.000 0.972 659 S CB -1.121 61.737 63.200 -0.570 0.000 0.774 659 S HN 0.174 nan 8.310 nan 0.000 0.501 660 L N 2.706 123.816 121.223 -0.189 0.000 2.081 660 L HA -0.072 4.268 4.340 0.000 0.000 0.212 660 L C 2.902 179.644 176.870 -0.212 0.000 1.080 660 L CA 2.247 56.971 54.840 -0.193 0.000 0.754 660 L CB -1.875 40.052 42.059 -0.219 0.000 0.893 660 L HN 0.776 nan 8.230 nan 0.000 0.433 661 T N -3.900 110.606 114.554 -0.081 0.000 3.129 661 T HA 0.209 4.559 4.350 0.000 0.000 0.251 661 T C 0.445 175.265 174.700 0.200 0.000 1.117 661 T CA 0.400 62.563 62.100 0.105 0.000 1.034 661 T CB -0.513 68.481 68.868 0.209 0.000 0.968 661 T HN 0.070 nan 8.240 nan 0.000 0.526 662 V N -2.613 117.377 119.914 0.127 0.000 3.113 662 V HA 0.572 4.692 4.120 0.000 0.000 0.316 662 V C -0.134 176.018 176.094 0.097 0.000 1.125 662 V CA -0.984 61.404 62.300 0.146 0.000 1.026 662 V CB 2.100 34.018 31.823 0.159 0.000 1.080 662 V HN 0.016 nan 8.190 nan 0.000 0.444 663 D N 0.878 121.332 120.400 0.089 0.000 2.367 663 D HA 0.500 5.140 4.640 0.000 0.000 0.207 663 D C 0.543 176.842 176.300 -0.001 0.000 1.034 663 D CA 1.415 55.446 54.000 0.050 0.000 0.861 663 D CB 1.474 42.320 40.800 0.076 0.000 0.943 663 D HN 0.984 nan 8.370 nan 0.000 0.515 664 A N 0.107 122.938 122.820 0.018 0.000 2.586 664 A HA 0.526 4.846 4.320 0.000 0.000 0.291 664 A C -1.642 175.956 177.584 0.024 0.000 1.062 664 A CA -0.562 51.468 52.037 -0.012 0.000 0.666 664 A CB 1.468 20.444 19.000 -0.040 0.000 1.281 664 A HN -0.098 nan 8.150 nan 0.000 0.421 665 V N 1.132 121.049 119.914 0.005 0.000 2.638 665 V HA 0.568 4.688 4.120 0.000 0.000 0.306 665 V C -0.719 175.366 176.094 -0.015 0.000 1.052 665 V CA -0.194 62.113 62.300 0.012 0.000 0.885 665 V CB 1.521 33.362 31.823 0.031 0.000 0.999 665 V HN 0.695 nan 8.190 nan 0.000 0.424 666 I N 4.298 124.868 120.570 -0.000 0.000 2.465 666 I HA 0.568 4.738 4.170 0.000 0.000 0.291 666 I C -0.844 175.294 176.117 0.036 0.000 1.014 666 I CA -0.964 60.367 61.300 0.051 0.000 1.093 666 I CB 2.310 40.372 38.000 0.104 0.000 1.267 666 I HN 0.276 nan 8.210 nan 0.000 0.431 667 V N 7.391 127.347 119.914 0.069 0.000 2.325 667 V HA 0.317 4.437 4.120 0.000 0.000 0.280 667 V C -2.158 173.996 176.094 0.099 0.000 1.016 667 V CA -1.604 60.724 62.300 0.046 0.000 0.818 667 V CB 1.172 32.991 31.823 -0.007 0.000 1.019 667 V HN 0.556 nan 8.190 nan 0.000 0.434 668 P HA 0.173 nan 4.420 nan 0.000 0.274 668 P C 0.399 177.720 177.300 0.034 0.000 1.246 668 P CA -0.186 62.932 63.100 0.031 0.000 0.795 668 P CB 1.011 32.722 31.700 0.017 0.000 1.006 669 C N 0.698 119.993 119.300 -0.008 0.000 2.827 669 C HA 0.645 5.105 4.460 0.000 0.000 0.287 669 C C 1.335 176.335 174.990 0.016 0.000 1.497 669 C CA 1.633 60.654 59.018 0.005 0.000 2.161 669 C CB -0.910 26.813 27.740 -0.028 0.000 2.120 669 C HN 0.919 nan 8.230 nan 0.000 0.676 670 G N 0.508 109.317 108.800 0.014 0.000 2.366 670 G HA2 0.007 3.967 3.960 0.000 0.000 0.190 670 G HA3 0.007 3.967 3.960 0.000 0.000 0.190 670 G C -0.774 174.139 174.900 0.020 0.000 1.299 670 G CA 0.027 45.136 45.100 0.014 0.000 1.056 670 G HN 1.030 nan 8.290 nan 0.000 0.468 671 N N 1.343 120.061 118.700 0.030 0.000 2.807 671 N HA 0.159 4.899 4.740 0.000 0.000 0.259 671 N C 1.192 176.733 175.510 0.051 0.000 1.149 671 N CA -0.644 52.425 53.050 0.031 0.000 1.042 671 N CB -0.073 38.433 38.487 0.032 0.000 1.367 671 N HN 0.368 nan 8.380 nan 0.000 0.516 672 I N 2.035 122.625 120.570 0.033 0.000 2.700 672 I HA -0.199 3.971 4.170 0.000 0.000 0.261 672 I C 2.202 178.315 176.117 -0.006 0.000 1.219 672 I CA 0.693 62.014 61.300 0.034 0.000 1.463 672 I CB -1.064 36.932 38.000 -0.007 0.000 1.092 672 I HN 0.515 nan 8.210 nan 0.000 0.452 673 A N 0.480 123.294 122.820 -0.011 0.000 2.121 673 A HA -0.225 4.095 4.320 0.000 0.000 0.218 673 A C 2.017 179.616 177.584 0.026 0.000 1.154 673 A CA 1.607 53.633 52.037 -0.019 0.000 0.679 673 A CB -0.498 18.493 19.000 -0.015 0.000 0.795 673 A HN 0.436 nan 8.150 nan 0.000 0.458 674 D N 0.558 121.003 120.400 0.076 0.000 2.178 674 D HA -0.129 4.511 4.640 0.000 0.000 0.202 674 D C 1.482 177.864 176.300 0.137 0.000 0.974 674 D CA 1.634 55.707 54.000 0.122 0.000 0.841 674 D CB -0.187 40.720 40.800 0.178 0.000 0.953 674 D HN 0.618 nan 8.370 nan 0.000 0.478 675 I N -4.232 116.433 120.570 0.157 0.000 4.154 675 I HA 0.499 4.669 4.170 0.000 0.000 0.334 675 I C 1.841 178.066 176.117 0.180 0.000 1.371 675 I CA -0.093 61.313 61.300 0.177 0.000 1.110 675 I CB 0.074 38.216 38.000 0.236 0.000 1.085 675 I HN -0.074 nan 8.210 nan 0.000 0.398 676 A N 1.979 124.814 122.820 0.025 0.000 1.948 676 A HA -0.185 4.135 4.320 0.000 0.000 0.220 676 A C 1.623 179.162 177.584 -0.074 0.000 1.177 676 A CA 2.161 54.068 52.037 -0.216 0.000 0.636 676 A CB -0.512 18.299 19.000 -0.316 0.000 0.815 676 A HN 0.584 nan 8.150 nan 0.000 0.449 677 D N -0.652 119.742 120.400 -0.011 0.000 2.402 677 D HA 0.018 4.658 4.640 0.000 0.000 0.216 677 D C -0.047 176.277 176.300 0.039 0.000 1.128 677 D CA -0.224 53.781 54.000 0.008 0.000 0.833 677 D CB -0.199 40.597 40.800 -0.005 0.000 0.971 677 D HN 0.312 nan 8.370 nan 0.000 0.503 678 N N 1.384 120.123 118.700 0.064 0.000 2.420 678 N HA 0.018 4.758 4.740 0.000 0.000 0.262 678 N C 1.368 176.908 175.510 0.050 0.000 1.144 678 N CA 0.045 53.128 53.050 0.054 0.000 0.952 678 N CB 1.460 39.981 38.487 0.057 0.000 1.081 678 N HN -0.001 nan 8.380 nan 0.000 0.480 679 G N 3.287 112.116 108.800 0.048 0.000 2.446 679 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 679 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 679 G C 0.968 175.912 174.900 0.074 0.000 1.168 679 G CA 0.608 45.741 45.100 0.054 0.000 0.771 679 G HN 0.692 nan 8.290 nan 0.000 0.551 680 D N 1.121 121.567 120.400 0.076 0.000 2.117 680 D HA -0.095 4.545 4.640 0.000 0.000 0.197 680 D C 2.863 179.166 176.300 0.004 0.000 0.987 680 D CA 1.257 55.333 54.000 0.126 0.000 0.829 680 D CB -0.224 40.707 40.800 0.218 0.000 0.961 680 D HN 0.344 nan 8.370 nan 0.000 0.460 681 A N 1.646 124.314 122.820 -0.253 0.000 1.902 681 A HA -0.189 4.131 4.320 0.000 0.000 0.217 681 A C 2.042 179.455 177.584 -0.284 0.000 1.181 681 A CA 1.224 52.899 52.037 -0.603 0.000 0.623 681 A CB -0.441 18.153 19.000 -0.677 0.000 0.818 681 A HN 0.146 nan 8.150 nan 0.000 0.443 682 N N -1.600 117.073 118.700 -0.046 0.000 2.142 682 N HA -0.163 4.577 4.740 0.000 0.000 0.186 682 N C 1.673 177.194 175.510 0.018 0.000 1.023 682 N CA 1.638 54.706 53.050 0.031 0.000 0.852 682 N CB -0.439 38.124 38.487 0.128 0.000 0.998 682 N HN 0.688 nan 8.380 nan 0.000 0.424 683 Y N 0.428 120.702 120.300 -0.043 0.000 2.333 683 Y HA -0.265 4.285 4.550 0.000 0.000 0.290 683 Y C 2.315 178.177 175.900 -0.063 0.000 1.144 683 Y CA 1.127 59.197 58.100 -0.050 0.000 1.228 683 Y CB -0.206 38.228 38.460 -0.043 0.000 0.985 683 Y HN 0.035 nan 8.280 nan 0.000 0.542 684 Y N -0.411 119.777 120.300 -0.186 0.000 2.128 684 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 684 Y C 2.032 177.750 175.900 -0.303 0.000 1.154 684 Y CA 1.660 59.616 58.100 -0.239 0.000 1.149 684 Y CB -0.453 37.870 38.460 -0.229 0.000 0.976 684 Y HN 0.124 nan 8.280 nan 0.000 0.505 685 L N -0.556 120.610 121.223 -0.095 0.000 2.027 685 L HA -0.250 4.090 4.340 0.000 0.000 0.206 685 L C 2.397 179.169 176.870 -0.164 0.000 1.074 685 L CA 1.764 56.527 54.840 -0.130 0.000 0.745 685 L CB -1.322 40.619 42.059 -0.196 0.000 0.898 685 L HN 0.298 nan 8.230 nan 0.000 0.433 686 M N -0.984 118.479 119.600 -0.229 0.000 2.082 686 M HA -0.288 4.192 4.480 0.000 0.000 0.258 686 M C 2.229 178.303 176.300 -0.377 0.000 1.069 686 M CA 1.909 57.062 55.300 -0.244 0.000 1.102 686 M CB -0.518 31.945 32.600 -0.227 0.000 1.336 686 M HN 0.280 nan 8.290 nan 0.000 0.404 687 E N 0.332 120.106 120.200 -0.710 0.000 2.038 687 E HA -0.219 4.131 4.350 0.000 0.000 0.195 687 E C 1.985 178.240 176.600 -0.575 0.000 1.000 687 E CA 1.523 57.453 56.400 -0.784 0.000 0.803 687 E CB -0.042 29.153 29.700 -0.843 0.000 0.750 687 E HN 0.490 nan 8.360 nan 0.000 0.448 688 A N 0.124 122.734 122.820 -0.349 0.000 1.902 688 A HA -0.217 4.103 4.320 0.000 0.000 0.217 688 A C 2.065 179.566 177.584 -0.140 0.000 1.181 688 A CA 1.604 53.533 52.037 -0.180 0.000 0.623 688 A CB -0.950 18.005 19.000 -0.076 0.000 0.818 688 A HN 0.586 nan 8.150 nan 0.000 0.443 689 Y N 0.618 120.777 120.300 -0.236 0.000 2.145 689 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 689 Y C 2.398 178.179 175.900 -0.198 0.000 1.145 689 Y CA 2.359 60.347 58.100 -0.187 0.000 1.148 689 Y CB -0.190 38.177 38.460 -0.155 0.000 0.981 689 Y HN 0.311 nan 8.280 nan 0.000 0.507 690 K N -0.550 119.741 120.400 -0.182 0.000 2.147 690 K HA -0.225 4.095 4.320 0.000 0.000 0.205 690 K C 1.119 177.581 176.600 -0.229 0.000 1.049 690 K CA 2.023 58.156 56.287 -0.257 0.000 0.936 690 K CB -0.503 31.815 32.500 -0.303 0.000 0.722 690 K HN 0.597 nan 8.250 nan 0.000 0.446 691 H N 0.381 119.336 119.070 -0.191 0.000 2.533 691 H HA 0.173 4.729 4.556 0.000 0.000 0.271 691 H C -0.029 175.140 175.328 -0.264 0.000 1.000 691 H CA 0.187 56.115 56.048 -0.200 0.000 1.149 691 H CB 0.107 29.749 29.762 -0.199 0.000 1.375 691 H HN 0.119 nan 8.280 nan 0.000 0.582 692 L N 0.307 121.392 121.223 -0.229 0.000 3.898 692 L HA -0.255 4.085 4.340 0.000 0.000 0.407 692 L C -0.416 176.210 176.870 -0.406 0.000 1.207 692 L CA 0.469 55.085 54.840 -0.372 0.000 0.931 692 L CB -1.643 40.177 42.059 -0.398 0.000 2.014 692 L HN 0.277 nan 8.230 nan 0.000 0.858 693 K N 0.939 121.169 120.400 -0.282 0.000 2.143 693 K HA 0.463 4.783 4.320 0.000 0.000 0.272 693 K C -2.096 174.382 176.600 -0.204 0.000 1.001 693 K CA -1.770 54.371 56.287 -0.243 0.000 0.915 693 K CB 0.795 33.209 32.500 -0.143 0.000 1.047 693 K HN -0.195 nan 8.250 nan 0.000 0.458 694 P HA -0.005 nan 4.420 nan 0.000 0.264 694 P C -0.779 176.455 177.300 -0.109 0.000 1.183 694 P CA 0.513 63.516 63.100 -0.161 0.000 0.763 694 P CB 0.384 31.988 31.700 -0.159 0.000 0.807 695 I N 1.847 122.364 120.570 -0.088 0.000 2.582 695 I HA 0.625 4.795 4.170 0.000 0.000 0.292 695 I C -0.427 175.636 176.117 -0.091 0.000 1.066 695 I CA -0.835 60.429 61.300 -0.059 0.000 1.053 695 I CB 2.267 40.262 38.000 -0.009 0.000 1.241 695 I HN 0.262 nan 8.210 nan 0.000 0.421 696 A N 7.576 130.342 122.820 -0.091 0.000 2.353 696 A HA 0.859 5.179 4.320 0.000 0.000 0.299 696 A C -1.203 176.461 177.584 0.133 0.000 1.089 696 A CA -0.411 51.538 52.037 -0.147 0.000 0.736 696 A CB 0.975 19.661 19.000 -0.523 0.000 1.195 696 A HN 0.641 nan 8.150 nan 0.000 0.447 697 L N 2.145 123.515 121.223 0.246 0.000 2.333 697 L HA 0.773 5.113 4.340 0.000 0.000 0.280 697 L C 0.332 177.412 176.870 0.350 0.000 1.004 697 L CA -0.627 54.384 54.840 0.286 0.000 0.820 697 L CB 2.018 44.187 42.059 0.183 0.000 1.247 697 L HN 0.768 nan 8.230 nan 0.000 0.416 698 A N 2.102 125.023 122.820 0.168 0.000 2.324 698 A HA 0.830 5.150 4.320 0.000 0.000 0.330 698 A C 0.684 178.256 177.584 -0.021 0.000 1.165 698 A CA 0.260 52.259 52.037 -0.064 0.000 0.813 698 A CB 1.143 19.915 19.000 -0.380 0.000 1.197 698 A HN 0.978 nan 8.150 nan 0.000 0.484 699 G N 2.006 110.785 108.800 -0.036 0.000 2.672 699 G HA2 -0.387 3.573 3.960 0.000 0.000 0.324 699 G HA3 -0.387 3.573 3.960 0.000 0.000 0.324 699 G C 0.618 175.520 174.900 0.003 0.000 1.286 699 G CA 1.118 46.205 45.100 -0.022 0.000 1.004 699 G HN 0.731 nan 8.290 nan 0.000 0.548 700 D N 0.955 121.353 120.400 -0.004 0.000 2.228 700 D HA 0.071 4.711 4.640 0.000 0.000 0.203 700 D C 2.721 179.026 176.300 0.008 0.000 0.988 700 D CA 2.072 56.066 54.000 -0.011 0.000 0.864 700 D CB -0.789 39.998 40.800 -0.021 0.000 0.928 700 D HN 0.838 nan 8.370 nan 0.000 0.469 701 A N 0.661 123.528 122.820 0.078 0.000 2.032 701 A HA -0.248 4.072 4.320 0.000 0.000 0.221 701 A C 2.068 179.776 177.584 0.206 0.000 1.165 701 A CA 1.305 53.469 52.037 0.212 0.000 0.645 701 A CB -0.531 18.598 19.000 0.215 0.000 0.807 701 A HN 0.177 nan 8.150 nan 0.000 0.453 702 R N -0.451 120.112 120.500 0.104 0.000 2.249 702 R HA -0.128 4.212 4.340 0.000 0.000 0.230 702 R C 1.861 178.178 176.300 0.029 0.000 1.121 702 R CA 1.406 57.553 56.100 0.078 0.000 0.997 702 R CB -0.227 30.101 30.300 0.047 0.000 0.867 702 R HN 0.556 nan 8.270 nan 0.000 0.465 703 K N -0.338 120.033 120.400 -0.050 0.000 2.211 703 K HA -0.146 4.175 4.320 0.000 0.000 0.204 703 K C 1.437 177.927 176.600 -0.182 0.000 1.047 703 K CA 1.271 57.465 56.287 -0.154 0.000 0.935 703 K CB -0.102 32.239 32.500 -0.264 0.000 0.728 703 K HN 0.174 nan 8.250 nan 0.000 0.452 704 F N 1.277 121.203 119.950 -0.040 0.000 2.365 704 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 704 F C 2.030 177.785 175.800 -0.076 0.000 1.090 704 F CA 0.809 58.775 58.000 -0.058 0.000 1.408 704 F CB 0.005 38.970 39.000 -0.058 0.000 1.060 704 F HN -0.073 nan 8.300 nan 0.000 0.534 705 K N 0.325 120.776 120.400 0.086 0.000 2.127 705 K HA -0.242 4.078 4.320 0.000 0.000 0.208 705 K C 2.262 178.838 176.600 -0.041 0.000 1.047 705 K CA 1.273 57.561 56.287 0.001 0.000 0.927 705 K CB -0.384 32.114 32.500 -0.003 0.000 0.716 705 K HN 0.266 nan 8.250 nan 0.000 0.450 706 A N 0.211 123.012 122.820 -0.031 0.000 2.019 706 A HA -0.167 4.153 4.320 0.000 0.000 0.219 706 A C 2.154 179.711 177.584 -0.045 0.000 1.164 706 A CA 2.071 54.081 52.037 -0.045 0.000 0.644 706 A CB -0.715 18.257 19.000 -0.046 0.000 0.805 706 A HN 0.348 nan 8.150 nan 0.000 0.449 707 T N 0.026 114.572 114.554 -0.013 0.000 2.951 707 T HA 0.002 4.352 4.350 0.000 0.000 0.268 707 T C 1.342 175.989 174.700 -0.089 0.000 1.073 707 T CA 1.276 63.370 62.100 -0.010 0.000 1.134 707 T CB -0.510 68.404 68.868 0.076 0.000 0.884 707 T HN 0.623 nan 8.240 nan 0.000 0.479 708 I N -2.489 117.969 120.570 -0.187 0.000 3.891 708 I HA 0.469 4.639 4.170 0.000 0.000 0.331 708 I C -0.100 175.769 176.117 -0.413 0.000 1.406 708 I CA -0.517 60.537 61.300 -0.411 0.000 1.139 708 I CB -0.074 37.472 38.000 -0.756 0.000 1.056 708 I HN -0.075 nan 8.210 nan 0.000 0.399 709 K N 1.613 121.888 120.400 -0.208 0.000 3.096 709 K HA -0.094 4.226 4.320 0.000 0.000 0.266 709 K C -0.459 176.064 176.600 -0.128 0.000 1.043 709 K CA 0.586 56.792 56.287 -0.135 0.000 0.758 709 K CB -1.709 30.731 32.500 -0.100 0.000 1.260 709 K HN 0.460 nan 8.250 nan 0.000 0.481 710 I N 0.204 120.696 120.570 -0.131 0.000 2.499 710 I HA 0.421 4.591 4.170 0.000 0.000 0.296 710 I C 1.331 177.425 176.117 -0.038 0.000 0.992 710 I CA -1.131 60.122 61.300 -0.078 0.000 1.297 710 I CB 1.038 38.993 38.000 -0.075 0.000 1.410 710 I HN 0.264 nan 8.210 nan 0.000 0.507 711 A N 4.111 126.921 122.820 -0.016 0.000 2.366 711 A HA 0.159 4.479 4.320 0.000 0.000 0.249 711 A C 0.902 178.484 177.584 -0.004 0.000 1.084 711 A CA -0.239 51.794 52.037 -0.007 0.000 0.794 711 A CB 0.109 19.110 19.000 0.002 0.000 1.034 711 A HN 0.758 nan 8.150 nan 0.000 0.491 712 D N 0.164 120.562 120.400 -0.003 0.000 2.144 712 D HA -0.182 4.458 4.640 0.000 0.000 0.199 712 D C 2.060 178.363 176.300 0.005 0.000 0.984 712 D CA 2.105 56.105 54.000 -0.000 0.000 0.834 712 D CB -0.230 40.569 40.800 -0.002 0.000 0.955 712 D HN 0.809 nan 8.370 nan 0.000 0.465 713 Q N 0.234 120.038 119.800 0.006 0.000 2.364 713 Q HA 0.165 4.505 4.340 0.000 0.000 0.207 713 Q C 1.062 177.069 176.000 0.011 0.000 0.970 713 Q CA 0.873 56.682 55.803 0.009 0.000 0.888 713 Q CB -0.068 28.675 28.738 0.008 0.000 0.951 713 Q HN 0.126 nan 8.270 nan 0.000 0.469 714 G N 1.167 109.974 108.800 0.012 0.000 2.746 714 G HA2 -0.194 3.766 3.960 0.000 0.000 0.685 714 G HA3 -0.194 3.766 3.960 0.000 0.000 0.685 714 G C -1.155 173.755 174.900 0.017 0.000 1.350 714 G CA -0.267 44.842 45.100 0.015 0.000 0.837 714 G HN 0.572 nan 8.290 nan 0.000 0.564 715 E N -0.439 119.773 120.200 0.021 0.000 2.383 715 E HA 0.590 4.940 4.350 0.000 0.000 0.275 715 E C -0.582 176.022 176.600 0.008 0.000 0.918 715 E CA -1.049 55.364 56.400 0.023 0.000 0.764 715 E CB 1.602 31.331 29.700 0.049 0.000 1.252 715 E HN 0.402 nan 8.360 nan 0.000 0.449 716 E N 0.867 121.063 120.200 -0.007 0.000 2.415 716 E HA 0.216 4.566 4.350 0.000 0.000 0.263 716 E C 0.720 177.290 176.600 -0.051 0.000 0.995 716 E CA 1.470 57.851 56.400 -0.032 0.000 0.915 716 E CB 1.057 30.735 29.700 -0.037 0.000 0.951 716 E HN 0.924 nan 8.360 nan 0.000 0.449 717 G N 2.855 111.611 108.800 -0.073 0.000 2.231 717 G HA2 -0.186 3.775 3.960 0.000 0.000 0.206 717 G HA3 -0.186 3.775 3.960 0.000 0.000 0.206 717 G C 0.094 174.955 174.900 -0.065 0.000 0.996 717 G CA -0.398 44.641 45.100 -0.101 0.000 0.645 717 G HN 0.398 nan 8.290 nan 0.000 0.498 718 I N 2.371 122.921 120.570 -0.033 0.000 2.464 718 I HA 0.416 4.586 4.170 0.000 0.000 0.277 718 I C 0.491 176.580 176.117 -0.047 0.000 1.040 718 I CA -1.108 60.181 61.300 -0.019 0.000 1.153 718 I CB 1.133 39.151 38.000 0.029 0.000 1.274 718 I HN -0.101 nan 8.210 nan 0.000 0.469 719 V N 7.310 127.155 119.914 -0.116 0.000 2.555 719 V HA 0.228 4.348 4.120 0.000 0.000 0.286 719 V C 0.452 176.523 176.094 -0.038 0.000 1.044 719 V CA -0.155 62.044 62.300 -0.168 0.000 1.026 719 V CB 0.819 32.383 31.823 -0.432 0.000 0.981 719 V HN 0.837 nan 8.190 nan 0.000 0.480 720 E N 4.250 124.499 120.200 0.082 0.000 2.356 720 E HA 0.902 5.252 4.350 0.000 0.000 0.275 720 E C -0.871 175.871 176.600 0.236 0.000 0.904 720 E CA -0.990 55.530 56.400 0.201 0.000 0.757 720 E CB 2.603 32.369 29.700 0.110 0.000 1.232 720 E HN 0.819 nan 8.360 nan 0.000 0.442 721 A N 1.483 124.438 122.820 0.224 0.000 2.490 721 A HA 0.272 4.592 4.320 0.000 0.000 0.292 721 A C -0.641 176.954 177.584 0.017 0.000 1.047 721 A CA -0.595 51.515 52.037 0.122 0.000 0.632 721 A CB 0.807 19.905 19.000 0.165 0.000 1.323 721 A HN 0.639 nan 8.150 nan 0.000 0.448 722 D N 0.403 120.792 120.400 -0.019 0.000 2.183 722 D HA 0.043 4.683 4.640 0.000 0.000 0.203 722 D C 0.902 177.142 176.300 -0.099 0.000 0.969 722 D CA 2.184 56.157 54.000 -0.044 0.000 0.842 722 D CB 0.113 40.894 40.800 -0.033 0.000 0.957 722 D HN 0.780 nan 8.370 nan 0.000 0.484 723 S N -1.238 114.366 115.700 -0.160 0.000 2.546 723 S HA 0.604 5.074 4.470 0.000 0.000 0.274 723 S C -0.230 174.093 174.600 -0.462 0.000 1.121 723 S CA -0.839 57.220 58.200 -0.235 0.000 0.887 723 S CB 2.284 65.398 63.200 -0.144 0.000 1.094 723 S HN 0.016 nan 8.310 nan 0.000 0.474 724 A N 1.553 124.015 122.820 -0.596 0.000 2.711 724 A HA 0.483 4.803 4.320 0.000 0.000 0.242 724 A C 0.244 177.571 177.584 -0.428 0.000 1.607 724 A CA 0.314 51.761 52.037 -0.983 0.000 1.370 724 A CB -1.440 17.180 19.000 -0.633 0.000 0.934 724 A HN 0.828 nan 8.150 nan 0.000 0.628 725 D N -2.489 117.770 120.400 -0.236 0.000 4.052 725 D HA 0.483 5.123 4.640 0.000 0.000 0.347 725 D C 0.781 177.109 176.300 0.047 0.000 1.574 725 D CA 1.051 55.053 54.000 0.003 0.000 0.972 725 D CB -0.190 40.625 40.800 0.025 0.000 1.472 725 D HN 0.920 nan 8.370 nan 0.000 0.623 726 G N 0.211 109.036 108.800 0.042 0.000 2.527 726 G HA2 -0.224 3.736 3.960 0.000 0.000 0.262 726 G HA3 -0.224 3.736 3.960 0.000 0.000 0.262 726 G C 0.605 175.549 174.900 0.074 0.000 1.153 726 G CA 1.247 46.373 45.100 0.044 0.000 0.954 726 G HN 1.196 nan 8.290 nan 0.000 0.552 727 S N 0.173 115.925 115.700 0.088 0.000 2.597 727 S HA 0.427 4.897 4.470 0.000 0.000 0.224 727 S C 1.638 176.315 174.600 0.128 0.000 0.955 727 S CA 0.974 59.225 58.200 0.085 0.000 0.933 727 S CB 0.123 63.356 63.200 0.054 0.000 0.788 727 S HN 1.165 nan 8.310 nan 0.000 0.488 728 F N 2.745 122.694 119.950 -0.002 0.000 2.095 728 F HA -0.043 4.484 4.527 0.000 0.000 0.298 728 F C 2.086 177.884 175.800 -0.004 0.000 1.104 728 F CA 1.529 59.528 58.000 -0.002 0.000 1.232 728 F CB -0.258 38.742 39.000 -0.000 0.000 0.987 728 F HN 0.147 nan 8.300 nan 0.000 0.475 729 M N 0.143 119.880 119.600 0.228 0.000 2.254 729 M HA -0.149 4.331 4.480 0.000 0.000 0.265 729 M C 1.737 178.037 176.300 0.000 0.000 1.066 729 M CA 1.186 56.541 55.300 0.090 0.000 1.123 729 M CB -1.276 31.409 32.600 0.142 0.000 1.388 729 M HN 0.170 nan 8.290 nan 0.000 0.425 730 D N 0.473 120.882 120.400 0.015 0.000 2.117 730 D HA -0.136 4.504 4.640 0.000 0.000 0.198 730 D C 1.925 178.202 176.300 -0.039 0.000 0.982 730 D CA 1.046 55.042 54.000 -0.006 0.000 0.828 730 D CB -0.066 40.739 40.800 0.008 0.000 0.967 730 D HN 0.475 nan 8.370 nan 0.000 0.464 731 E N 0.492 120.656 120.200 -0.058 0.000 2.058 731 E HA -0.148 4.202 4.350 0.000 0.000 0.194 731 E C 2.149 178.662 176.600 -0.144 0.000 0.997 731 E CA 0.370 56.711 56.400 -0.097 0.000 0.801 731 E CB -0.067 29.560 29.700 -0.123 0.000 0.746 731 E HN 0.171 nan 8.360 nan 0.000 0.450 732 L N 0.826 121.924 121.223 -0.208 0.000 2.056 732 L HA -0.141 4.199 4.340 0.000 0.000 0.207 732 L C 2.122 178.917 176.870 -0.125 0.000 1.078 732 L CA 1.184 55.896 54.840 -0.213 0.000 0.749 732 L CB -0.277 41.603 42.059 -0.298 0.000 0.901 732 L HN 0.201 nan 8.230 nan 0.000 0.433 733 L N -0.066 121.105 121.223 -0.086 0.000 2.141 733 L HA -0.114 4.226 4.340 0.000 0.000 0.209 733 L C 2.585 179.426 176.870 -0.047 0.000 1.094 733 L CA 1.568 56.375 54.840 -0.055 0.000 0.763 733 L CB -1.312 40.727 42.059 -0.034 0.000 0.908 733 L HN 0.205 nan 8.230 nan 0.000 0.437 734 T N -0.509 114.015 114.554 -0.051 0.000 2.777 734 T HA -0.134 4.216 4.350 0.000 0.000 0.266 734 T C 2.041 176.708 174.700 -0.054 0.000 1.040 734 T CA 1.082 63.158 62.100 -0.040 0.000 1.141 734 T CB -0.166 68.679 68.868 -0.038 0.000 0.868 734 T HN 0.183 nan 8.240 nan 0.000 0.444 735 L N 0.371 121.544 121.223 -0.084 0.000 2.012 735 L HA -0.124 4.216 4.340 0.000 0.000 0.210 735 L C 2.728 179.534 176.870 -0.106 0.000 1.073 735 L CA 1.463 56.235 54.840 -0.113 0.000 0.748 735 L CB -0.559 41.414 42.059 -0.143 0.000 0.891 735 L HN 0.305 nan 8.230 nan 0.000 0.431 736 M N -0.753 118.799 119.600 -0.081 0.000 2.159 736 M HA -0.206 4.274 4.480 0.000 0.000 0.263 736 M C 2.526 178.825 176.300 -0.002 0.000 1.063 736 M CA 1.761 57.033 55.300 -0.046 0.000 1.110 736 M CB -0.560 32.018 32.600 -0.038 0.000 1.374 736 M HN 0.350 nan 8.290 nan 0.000 0.411 737 A N 0.476 123.292 122.820 -0.005 0.000 1.940 737 A HA -0.089 4.231 4.320 0.000 0.000 0.219 737 A C 2.170 179.784 177.584 0.051 0.000 1.176 737 A CA 1.975 54.025 52.037 0.021 0.000 0.631 737 A CB -0.800 18.207 19.000 0.012 0.000 0.814 737 A HN 0.532 nan 8.150 nan 0.000 0.446 738 A N -2.754 120.078 122.820 0.020 0.000 2.278 738 A HA 0.327 4.647 4.320 0.000 0.000 0.212 738 A C 0.979 178.575 177.584 0.020 0.000 1.213 738 A CA 1.309 53.369 52.037 0.037 0.000 0.840 738 A CB -0.584 18.399 19.000 -0.028 0.000 0.866 738 A HN 0.964 nan 8.150 nan 0.000 0.489 739 H N -1.057 117.939 119.070 -0.123 0.000 4.891 739 H HA -0.204 4.352 4.556 0.000 0.000 0.059 739 H C -0.011 175.067 175.328 -0.417 0.000 0.587 739 H CA 2.449 58.389 56.048 -0.180 0.000 0.970 739 H CB -0.549 29.196 29.762 -0.029 0.000 0.535 739 H HN 0.458 nan 8.280 nan 0.000 0.802 740 R N -0.121 119.737 120.500 -1.069 0.000 2.807 740 R HA 0.578 4.918 4.340 0.000 0.000 0.276 740 R C -0.561 174.922 176.300 -1.362 0.000 0.979 740 R CA -0.354 54.896 56.100 -1.417 0.000 0.928 740 R CB 1.814 30.891 30.300 -2.038 0.000 1.191 740 R HN 0.112 nan 8.270 nan 0.000 0.471 741 V N 3.154 122.533 119.914 -0.891 0.000 2.223 741 V HA 0.068 4.188 4.120 0.000 0.000 0.249 741 V C 0.876 176.647 176.094 -0.539 0.000 1.233 741 V CA -0.332 61.605 62.300 -0.605 0.000 1.131 741 V CB -0.507 31.085 31.823 -0.386 0.000 1.298 741 V HN 0.720 nan 8.190 nan 0.000 0.498 742 W N 1.818 122.848 121.300 -0.451 0.000 2.342 742 W HA -0.238 4.422 4.660 0.000 0.000 0.297 742 W C 2.615 178.912 176.519 -0.370 0.000 1.213 742 W CA 1.068 58.054 57.345 -0.599 0.000 1.251 742 W CB -0.484 28.280 29.460 -1.159 0.000 1.136 742 W HN 0.657 nan 8.180 nan 0.000 0.526 743 S N 0.733 116.399 115.700 -0.058 0.000 2.465 743 S HA -0.226 4.245 4.470 0.000 0.000 0.241 743 S C 1.716 176.283 174.600 -0.055 0.000 1.000 743 S CA 1.228 59.406 58.200 -0.037 0.000 0.964 743 S CB -0.546 62.633 63.200 -0.034 0.000 0.763 743 S HN 0.415 nan 8.310 nan 0.000 0.512 744 R N 0.822 121.252 120.500 -0.118 0.000 2.236 744 R HA 0.149 4.489 4.340 0.000 0.000 0.208 744 R C 1.892 178.124 176.300 -0.114 0.000 1.036 744 R CA 0.628 56.634 56.100 -0.156 0.000 1.001 744 R CB -0.453 29.649 30.300 -0.329 0.000 0.896 744 R HN 0.482 nan 8.270 nan 0.000 0.464 745 I N 1.824 122.362 120.570 -0.054 0.000 2.091 745 I HA -0.289 3.881 4.170 0.000 0.000 0.240 745 I C -0.812 175.319 176.117 0.024 0.000 1.046 745 I CA 1.708 63.015 61.300 0.012 0.000 1.306 745 I CB -1.065 36.985 38.000 0.083 0.000 1.018 745 I HN 0.174 nan 8.210 nan 0.000 0.404 746 P HA -0.212 nan 4.420 nan 0.000 0.218 746 P C 0.938 178.265 177.300 0.045 0.000 1.146 746 P CA 1.651 64.776 63.100 0.041 0.000 0.820 746 P CB -0.168 31.554 31.700 0.036 0.000 0.778 747 K N -0.731 119.693 120.400 0.040 0.000 2.356 747 K HA 0.128 4.449 4.320 0.000 0.000 0.195 747 K C 2.067 178.735 176.600 0.114 0.000 1.037 747 K CA 0.648 56.988 56.287 0.087 0.000 1.014 747 K CB -0.365 32.222 32.500 0.145 0.000 0.815 747 K HN 0.311 nan 8.250 nan 0.000 0.507 748 I N -0.753 119.847 120.570 0.050 0.000 2.676 748 I HA -0.117 4.053 4.170 0.000 0.000 0.259 748 I C 1.073 177.237 176.117 0.077 0.000 1.194 748 I CA 1.327 62.663 61.300 0.060 0.000 1.473 748 I CB -0.216 37.764 38.000 -0.032 0.000 1.096 748 I HN -0.178 nan 8.210 nan 0.000 0.443 749 D N 1.999 122.444 120.400 0.074 0.000 2.149 749 D HA -0.161 4.479 4.640 0.000 0.000 0.198 749 D C 1.792 178.134 176.300 0.070 0.000 0.990 749 D CA 1.192 55.236 54.000 0.074 0.000 0.839 749 D CB -0.070 40.773 40.800 0.072 0.000 0.948 749 D HN 0.174 nan 8.370 nan 0.000 0.460 750 K N -0.073 120.370 120.400 0.072 0.000 2.525 750 K HA 0.200 4.520 4.320 0.000 0.000 0.192 750 K C 0.221 176.856 176.600 0.059 0.000 1.029 750 K CA -0.125 56.199 56.287 0.061 0.000 1.029 750 K CB -0.168 32.368 32.500 0.059 0.000 0.814 750 K HN 0.257 nan 8.250 nan 0.000 0.503 751 I N 2.061 122.675 120.570 0.073 0.000 2.321 751 I HA 0.228 4.398 4.170 0.000 0.000 0.291 751 I C -2.265 173.886 176.117 0.055 0.000 0.998 751 I CA -2.722 58.615 61.300 0.062 0.000 1.227 751 I CB 1.339 39.394 38.000 0.091 0.000 1.368 751 I HN -0.074 nan 8.210 nan 0.000 0.466 752 P HA 0.310 nan 4.420 nan 0.000 0.252 752 P C -0.906 176.454 177.300 0.100 0.000 1.727 752 P CA 0.058 63.197 63.100 0.064 0.000 1.134 752 P CB 0.212 31.943 31.700 0.052 0.000 1.876 753 A N 0.000 122.882 122.820 0.103 0.000 2.254 753 A HA 0.000 4.320 4.320 0.000 0.000 0.244 753 A CA 0.000 52.149 52.037 0.187 0.000 0.836 753 A CB 0.000 19.008 19.000 0.013 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486