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 1ggj_1_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGANTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.026 0.000 2.045 27 D CA 0.000 53.988 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 28 S N 0.969 116.648 115.700 -0.035 0.000 2.705 28 S HA 0.206 4.670 4.470 -0.011 0.000 0.163 28 S C 0.417 174.981 174.600 -0.061 0.000 0.785 28 S CA -0.317 57.854 58.200 -0.049 0.000 0.990 28 S CB -0.263 62.912 63.200 -0.041 0.000 1.526 28 S HN 0.373 nan 8.310 nan 0.000 0.434 29 L N 1.594 122.772 121.223 -0.075 0.000 2.307 29 L HA 0.413 4.747 4.340 -0.011 0.000 0.211 29 L C 1.538 178.329 176.870 -0.131 0.000 1.099 29 L CA 0.435 55.226 54.840 -0.081 0.000 0.816 29 L CB -0.336 41.685 42.059 -0.064 0.000 0.952 29 L HN 0.646 nan 8.230 nan 0.000 0.455 30 A N 1.541 124.228 122.820 -0.222 0.000 2.466 30 A HA 0.283 4.596 4.320 -0.011 0.000 0.238 30 A C -2.026 175.419 177.584 -0.233 0.000 1.074 30 A CA -0.877 50.907 52.037 -0.422 0.000 0.774 30 A CB -0.673 17.789 19.000 -0.896 0.000 1.015 30 A HN 0.001 nan 8.150 nan 0.000 0.498 31 P HA 0.089 nan 4.420 nan 0.000 0.268 31 P C 0.093 177.382 177.300 -0.018 0.000 1.205 31 P CA 0.050 63.125 63.100 -0.041 0.000 0.771 31 P CB 0.854 32.570 31.700 0.027 0.000 0.858 32 E N 1.889 122.085 120.200 -0.007 0.000 2.204 32 E HA -0.192 4.151 4.350 -0.011 0.000 0.195 32 E C 1.298 177.916 176.600 0.031 0.000 0.990 32 E CA 1.436 57.839 56.400 0.006 0.000 0.821 32 E CB -0.487 29.213 29.700 0.000 0.000 0.750 32 E HN 0.526 nan 8.360 nan 0.000 0.477 33 D N -1.316 119.107 120.400 0.039 0.000 2.350 33 D HA -0.053 4.580 4.640 -0.011 0.000 0.216 33 D C 1.362 177.707 176.300 0.075 0.000 0.968 33 D CA 1.089 55.118 54.000 0.047 0.000 0.894 33 D CB -0.418 40.406 40.800 0.038 0.000 0.909 33 D HN 0.241 nan 8.370 nan 0.000 0.520 34 G N 0.050 108.931 108.800 0.134 0.000 2.159 34 G HA2 -0.332 3.622 3.960 -0.011 0.000 0.256 34 G HA3 -0.332 3.622 3.960 -0.011 0.000 0.256 34 G C 0.866 175.863 174.900 0.161 0.000 0.977 34 G CA 0.832 46.053 45.100 0.201 0.000 0.652 34 G HN 0.829 nan 8.290 nan 0.000 0.531 35 S N 0.776 116.570 115.700 0.157 0.000 2.786 35 S HA 0.081 4.545 4.470 -0.011 0.000 0.223 35 S C 1.715 176.380 174.600 0.109 0.000 0.956 35 S CA 0.920 59.172 58.200 0.088 0.000 0.961 35 S CB -0.582 62.657 63.200 0.065 0.000 0.784 35 S HN 0.951 nan 8.310 nan 0.000 0.519 36 H N -0.242 118.836 119.070 0.014 0.000 2.595 36 H HA 0.392 4.942 4.556 -0.011 0.000 0.265 36 H C 0.563 175.904 175.328 0.022 0.000 0.953 36 H CA -0.306 55.752 56.048 0.016 0.000 1.197 36 H CB -0.219 29.551 29.762 0.013 0.000 1.438 36 H HN 0.298 nan 8.280 nan 0.000 0.531 37 R N 2.635 122.732 120.500 -0.671 0.000 2.255 37 R HA 0.369 4.703 4.340 -0.011 0.000 0.326 37 R C -2.594 173.600 176.300 -0.176 0.000 0.986 37 R CA -2.029 53.810 56.100 -0.434 0.000 0.847 37 R CB 0.922 30.889 30.300 -0.555 0.000 1.111 37 R HN 0.135 nan 8.270 nan 0.000 0.452 38 P HA 0.147 nan 4.420 nan 0.000 0.271 38 P C -1.057 176.234 177.300 -0.015 0.000 1.218 38 P CA -0.395 62.691 63.100 -0.023 0.000 0.780 38 P CB 1.021 32.734 31.700 0.021 0.000 0.901 39 A N 2.597 125.416 122.820 -0.001 0.000 2.477 39 A HA 0.402 4.715 4.320 -0.011 0.000 0.246 39 A C 0.928 178.524 177.584 0.020 0.000 1.078 39 A CA 0.050 52.090 52.037 0.006 0.000 0.770 39 A CB -0.392 18.614 19.000 0.010 0.000 1.011 39 A HN 0.570 nan 8.150 nan 0.000 0.494 40 A N 3.180 126.012 122.820 0.019 0.000 3.135 40 A HA 0.475 4.788 4.320 -0.011 0.000 0.253 40 A C 0.338 177.941 177.584 0.033 0.000 1.638 40 A CA 0.064 52.119 52.037 0.029 0.000 1.295 40 A CB -0.876 18.139 19.000 0.025 0.000 1.106 40 A HN 0.858 nan 8.150 nan 0.000 0.648 41 E N -0.325 119.896 120.200 0.035 0.000 2.390 41 E HA 0.508 4.851 4.350 -0.011 0.000 0.277 41 E C -3.217 173.406 176.600 0.039 0.000 0.939 41 E CA -2.698 53.724 56.400 0.036 0.000 0.769 41 E CB 1.325 31.041 29.700 0.027 0.000 1.251 41 E HN 0.067 nan 8.360 nan 0.000 0.450 42 P HA 0.010 nan 4.420 nan 0.000 0.263 42 P C -0.539 176.774 177.300 0.023 0.000 1.195 42 P CA 0.263 63.381 63.100 0.030 0.000 0.762 42 P CB 0.457 32.162 31.700 0.008 0.000 0.799 43 T N 0.987 115.554 114.554 0.022 0.000 2.909 43 T HA 0.612 4.956 4.350 -0.011 0.000 0.299 43 T C -2.950 171.742 174.700 -0.015 0.000 1.073 43 T CA -2.697 59.412 62.100 0.015 0.000 0.999 43 T CB 1.717 70.597 68.868 0.020 0.000 1.098 43 T HN 0.091 nan 8.240 nan 0.000 0.477 44 P HA 0.315 nan 4.420 nan 0.000 0.272 44 P C -2.739 174.450 177.300 -0.186 0.000 1.230 44 P CA -1.535 61.458 63.100 -0.178 0.000 0.788 44 P CB -1.032 30.635 31.700 -0.055 0.000 0.949 45 P HA 0.018 nan 4.420 nan 0.000 0.260 45 P C 1.098 178.356 177.300 -0.071 0.000 1.185 45 P CA 1.502 64.504 63.100 -0.163 0.000 0.763 45 P CB -0.445 31.140 31.700 -0.191 0.000 0.776 46 G N 3.141 111.928 108.800 -0.021 0.000 2.179 46 G HA2 -0.348 3.606 3.960 -0.011 0.000 0.260 46 G HA3 -0.348 3.606 3.960 -0.011 0.000 0.260 46 G C 1.131 176.035 174.900 0.006 0.000 0.977 46 G CA 0.398 45.499 45.100 0.002 0.000 0.641 46 G HN 0.670 nan 8.290 nan 0.000 0.533 47 A N -1.200 121.621 122.820 0.001 0.000 1.968 47 A HA 0.406 4.720 4.320 -0.011 0.000 0.217 47 A C 1.384 178.976 177.584 0.014 0.000 1.169 47 A CA 1.976 54.019 52.037 0.009 0.000 0.638 47 A CB 0.011 19.016 19.000 0.009 0.000 0.812 47 A HN 0.506 nan 8.150 nan 0.000 0.446 48 Q N -1.089 118.722 119.800 0.018 0.000 2.495 48 Q HA 0.430 4.763 4.340 -0.011 0.000 0.287 48 Q C -2.982 173.036 176.000 0.029 0.000 1.078 48 Q CA -2.070 53.747 55.803 0.023 0.000 0.793 48 Q CB 1.075 29.830 28.738 0.028 0.000 1.459 48 Q HN 0.083 nan 8.270 nan 0.000 0.422 49 P HA 0.061 nan 4.420 nan 0.000 0.271 49 P C -0.265 177.066 177.300 0.053 0.000 1.216 49 P CA -0.004 63.112 63.100 0.026 0.000 0.771 49 P CB 0.192 31.904 31.700 0.020 0.000 0.864 50 T N 0.003 114.590 114.554 0.055 0.000 2.856 50 T HA 0.576 4.920 4.350 -0.011 0.000 0.306 50 T C 0.091 174.876 174.700 0.142 0.000 1.062 50 T CA -0.460 61.721 62.100 0.136 0.000 1.083 50 T CB 0.624 69.519 68.868 0.045 0.000 0.984 50 T HN 0.602 nan 8.240 nan 0.000 0.542 51 A N 1.877 124.877 122.820 0.300 0.000 2.602 51 A HA 0.783 5.097 4.320 -0.011 0.000 0.290 51 A C -3.031 174.815 177.584 0.436 0.000 1.114 51 A CA -2.063 50.129 52.037 0.259 0.000 0.683 51 A CB 0.604 19.707 19.000 0.171 0.000 1.281 51 A HN 0.661 nan 8.150 nan 0.000 0.416 52 P HA 0.111 nan 4.420 nan 0.000 0.264 52 P C 1.243 178.699 177.300 0.260 0.000 1.183 52 P CA 0.994 64.306 63.100 0.353 0.000 0.763 52 P CB 0.474 32.306 31.700 0.220 0.000 0.807 53 G N 2.840 111.764 108.800 0.206 0.000 2.513 53 G HA2 -0.331 3.623 3.960 -0.011 0.000 0.219 53 G HA3 -0.331 3.623 3.960 -0.011 0.000 0.219 53 G C 1.547 176.470 174.900 0.039 0.000 1.160 53 G CA 1.252 46.380 45.100 0.047 0.000 0.767 53 G HN 0.596 nan 8.290 nan 0.000 0.571 54 S N -0.022 115.705 115.700 0.044 0.000 2.481 54 S HA 0.166 4.630 4.470 -0.011 0.000 0.231 54 S C 2.206 176.829 174.600 0.039 0.000 0.996 54 S CA 0.727 58.939 58.200 0.020 0.000 0.942 54 S CB -0.143 63.061 63.200 0.007 0.000 0.768 54 S HN 0.323 nan 8.310 nan 0.000 0.520 55 L N -0.100 121.162 121.223 0.066 0.000 2.249 55 L HA 0.230 4.563 4.340 -0.011 0.000 0.207 55 L C 2.685 179.591 176.870 0.061 0.000 1.090 55 L CA 0.884 55.762 54.840 0.063 0.000 0.802 55 L CB -0.333 41.772 42.059 0.076 0.000 0.947 55 L HN 0.267 nan 8.230 nan 0.000 0.453 56 K N 1.375 121.822 120.400 0.078 0.000 2.076 56 K HA 0.051 4.364 4.320 -0.011 0.000 0.204 56 K C 0.677 177.310 176.600 0.056 0.000 1.051 56 K CA 1.253 57.586 56.287 0.076 0.000 0.949 56 K CB 0.137 32.701 32.500 0.106 0.000 0.726 56 K HN 0.127 nan 8.250 nan 0.000 0.443 57 A N 0.935 123.781 122.820 0.043 0.000 3.216 57 A HA 0.363 4.676 4.320 -0.011 0.000 0.321 57 A C -2.257 175.337 177.584 0.017 0.000 1.042 57 A CA -1.054 51.005 52.037 0.037 0.000 0.838 57 A CB 0.721 19.750 19.000 0.047 0.000 1.136 57 A HN 0.155 nan 8.150 nan 0.000 0.483 58 P HA -0.075 nan 4.420 nan 0.000 0.226 58 P C 0.076 177.375 177.300 -0.003 0.000 1.153 58 P CA 1.128 64.231 63.100 0.005 0.000 0.777 58 P CB 0.358 32.065 31.700 0.012 0.000 0.794 59 D N -1.050 119.353 120.400 0.005 0.000 2.340 59 D HA 0.042 4.675 4.640 -0.011 0.000 0.217 59 D C 0.131 176.429 176.300 -0.004 0.000 1.081 59 D CA 0.446 54.447 54.000 0.001 0.000 0.842 59 D CB -0.082 40.724 40.800 0.011 0.000 0.934 59 D HN 0.080 nan 8.370 nan 0.000 0.511 60 T N 1.607 116.157 114.554 -0.007 0.000 2.723 60 T HA 0.385 4.729 4.350 -0.011 0.000 0.297 60 T C 0.419 175.089 174.700 -0.051 0.000 0.925 60 T CA -0.204 61.883 62.100 -0.022 0.000 1.030 60 T CB 1.090 69.945 68.868 -0.021 0.000 0.905 60 T HN -0.102 nan 8.240 nan 0.000 0.502 61 R N 2.824 123.289 120.500 -0.060 0.000 2.807 61 R HA 0.680 5.013 4.340 -0.011 0.000 0.276 61 R C -0.599 175.654 176.300 -0.078 0.000 0.979 61 R CA -0.992 55.064 56.100 -0.072 0.000 0.928 61 R CB 1.508 31.771 30.300 -0.061 0.000 1.191 61 R HN 0.770 nan 8.270 nan 0.000 0.471 62 N N -1.523 117.132 118.700 -0.075 0.000 2.823 62 N HA 0.016 4.750 4.740 -0.011 0.000 0.251 62 N C 0.011 175.484 175.510 -0.062 0.000 1.392 62 N CA -0.936 52.082 53.050 -0.053 0.000 0.864 62 N CB 0.935 39.425 38.487 0.004 0.000 1.481 62 N HN 0.634 nan 8.380 nan 0.000 0.508 63 E N 0.253 120.429 120.200 -0.040 0.000 2.097 63 E HA -0.334 4.010 4.350 -0.011 0.000 0.196 63 E C 1.137 177.671 176.600 -0.110 0.000 1.000 63 E CA 1.673 58.042 56.400 -0.053 0.000 0.804 63 E CB 0.039 29.732 29.700 -0.012 0.000 0.740 63 E HN 0.512 nan 8.360 nan 0.000 0.454 64 K N 0.777 121.080 120.400 -0.162 0.000 2.002 64 K HA -0.106 4.208 4.320 -0.011 0.000 0.209 64 K C 2.171 178.609 176.600 -0.269 0.000 1.048 64 K CA 1.505 57.600 56.287 -0.321 0.000 0.930 64 K CB -0.555 31.603 32.500 -0.571 0.000 0.714 64 K HN 0.248 nan 8.250 nan 0.000 0.438 65 L N 0.881 121.962 121.223 -0.237 0.000 2.042 65 L HA -0.232 4.102 4.340 -0.011 0.000 0.210 65 L C 1.928 178.688 176.870 -0.184 0.000 1.076 65 L CA 1.428 56.105 54.840 -0.273 0.000 0.749 65 L CB -0.630 41.266 42.059 -0.272 0.000 0.893 65 L HN 0.289 nan 8.230 nan 0.000 0.432 66 N N -0.370 118.248 118.700 -0.136 0.000 2.188 66 N HA -0.150 4.584 4.740 -0.011 0.000 0.184 66 N C 2.050 177.501 175.510 -0.097 0.000 1.018 66 N CA 1.625 54.616 53.050 -0.099 0.000 0.858 66 N CB -0.431 38.012 38.487 -0.074 0.000 0.989 66 N HN 0.370 nan 8.380 nan 0.000 0.426 67 S N 0.566 116.197 115.700 -0.115 0.000 2.447 67 S HA 0.035 4.499 4.470 -0.011 0.000 0.233 67 S C 1.804 176.338 174.600 -0.110 0.000 1.006 67 S CA 0.345 58.482 58.200 -0.106 0.000 0.957 67 S CB -0.453 62.678 63.200 -0.115 0.000 0.773 67 S HN 0.239 nan 8.310 nan 0.000 0.507 68 L N 0.760 121.904 121.223 -0.133 0.000 2.552 68 L HA 0.163 4.496 4.340 -0.011 0.000 0.227 68 L C 2.636 179.457 176.870 -0.081 0.000 1.146 68 L CA 0.603 55.374 54.840 -0.116 0.000 0.858 68 L CB -0.393 41.579 42.059 -0.146 0.000 0.969 68 L HN 0.293 nan 8.230 nan 0.000 0.451 69 E N 1.033 121.190 120.200 -0.073 0.000 2.160 69 E HA -0.255 4.089 4.350 -0.011 0.000 0.195 69 E C 1.702 178.280 176.600 -0.035 0.000 0.991 69 E CA 1.504 57.875 56.400 -0.049 0.000 0.810 69 E CB -0.059 29.615 29.700 -0.044 0.000 0.742 69 E HN 0.575 nan 8.360 nan 0.000 0.466 70 D N -0.521 119.856 120.400 -0.038 0.000 2.218 70 D HA -0.142 4.492 4.640 -0.011 0.000 0.204 70 D C 1.650 177.935 176.300 -0.025 0.000 0.976 70 D CA 1.613 55.595 54.000 -0.030 0.000 0.853 70 D CB -0.384 40.397 40.800 -0.032 0.000 0.939 70 D HN 0.303 nan 8.370 nan 0.000 0.481 71 V N -3.194 116.703 119.914 -0.029 0.000 3.660 71 V HA 0.296 4.409 4.120 -0.011 0.000 0.276 71 V C 0.949 177.035 176.094 -0.012 0.000 1.317 71 V CA -0.637 61.652 62.300 -0.019 0.000 1.097 71 V CB -0.555 31.257 31.823 -0.019 0.000 0.863 71 V HN -0.138 nan 8.190 nan 0.000 0.438 72 R N 2.059 122.550 120.500 -0.015 0.000 2.537 72 R HA 0.413 4.747 4.340 -0.011 0.000 0.280 72 R C -0.148 176.151 176.300 -0.001 0.000 1.058 72 R CA 0.056 56.154 56.100 -0.002 0.000 1.057 72 R CB 0.715 31.014 30.300 -0.002 0.000 0.973 72 R HN 0.362 nan 8.270 nan 0.000 0.438 73 K N 1.182 121.586 120.400 0.006 0.000 2.345 73 K HA 0.318 4.632 4.320 -0.011 0.000 0.255 73 K C -0.068 176.541 176.600 0.015 0.000 0.934 73 K CA -0.446 55.832 56.287 -0.014 0.000 0.801 73 K CB 1.858 34.337 32.500 -0.035 0.000 1.137 73 K HN 0.739 nan 8.250 nan 0.000 0.424 74 G N 0.620 109.440 108.800 0.033 0.000 2.546 74 G HA2 0.234 4.187 3.960 -0.011 0.000 0.239 74 G HA3 0.234 4.187 3.960 -0.011 0.000 0.239 74 G C 0.381 175.356 174.900 0.125 0.000 1.476 74 G CA 0.400 45.569 45.100 0.114 0.000 1.064 74 G HN 0.727 nan 8.290 nan 0.000 0.561 75 S N -2.663 113.187 115.700 0.250 0.000 3.299 75 S HA 0.077 4.541 4.470 -0.011 0.000 0.213 75 S C 0.195 174.968 174.600 0.288 0.000 0.997 75 S CA -0.104 58.245 58.200 0.248 0.000 1.189 75 S CB -0.030 63.247 63.200 0.129 0.000 1.106 75 S HN 0.509 nan 8.310 nan 0.000 0.403 76 E N 3.189 123.493 120.200 0.172 0.000 2.529 76 E HA 0.255 4.599 4.350 -0.011 0.000 0.259 76 E C -0.229 176.342 176.600 -0.048 0.000 0.966 76 E CA 0.437 56.879 56.400 0.070 0.000 0.937 76 E CB -0.015 29.712 29.700 0.045 0.000 0.923 76 E HN 0.408 nan 8.360 nan 0.000 0.468 77 N N 0.551 119.208 118.700 -0.072 0.000 2.878 77 N HA -0.206 4.528 4.740 -0.011 0.000 0.247 77 N C -1.176 174.184 175.510 -0.249 0.000 1.021 77 N CA 1.115 54.062 53.050 -0.171 0.000 0.873 77 N CB -1.383 36.960 38.487 -0.240 0.000 1.128 77 N HN 0.382 nan 8.380 nan 0.000 0.571 78 Y N 0.528 120.834 120.300 0.011 0.000 2.453 78 Y HA 0.658 5.202 4.550 -0.010 0.000 0.326 78 Y C 0.887 176.791 175.900 0.006 0.000 1.186 78 Y CA -0.557 57.548 58.100 0.009 0.000 1.200 78 Y CB 1.052 39.519 38.460 0.010 0.000 1.247 78 Y HN 0.116 nan 8.280 nan 0.000 0.482 79 A N 2.257 125.201 122.820 0.207 0.000 2.388 79 A HA 0.429 4.742 4.320 -0.011 0.000 0.257 79 A C -0.825 176.810 177.584 0.086 0.000 1.095 79 A CA -0.520 51.583 52.037 0.110 0.000 0.791 79 A CB 0.092 19.144 19.000 0.086 0.000 1.029 79 A HN 0.687 nan 8.150 nan 0.000 0.489 80 L N 3.073 124.326 121.223 0.051 0.000 2.410 80 L HA 0.502 4.835 4.340 -0.011 0.000 0.273 80 L C 0.622 177.502 176.870 0.016 0.000 1.144 80 L CA 1.157 56.012 54.840 0.025 0.000 0.863 80 L CB 0.314 42.379 42.059 0.010 0.000 1.140 80 L HN 0.888 nan 8.230 nan 0.000 0.463 81 T N 0.503 115.060 114.554 0.005 0.000 2.901 81 T HA 0.646 4.989 4.350 -0.011 0.000 0.293 81 T C 0.205 174.907 174.700 0.003 0.000 1.084 81 T CA -0.186 61.920 62.100 0.010 0.000 1.008 81 T CB 1.045 69.921 68.868 0.013 0.000 1.170 81 T HN 0.821 nan 8.240 nan 0.000 0.509 82 T N 0.686 115.255 114.554 0.026 0.000 2.680 82 T HA 0.170 4.514 4.350 -0.011 0.000 0.314 82 T C 1.061 175.778 174.700 0.029 0.000 1.045 82 T CA -0.391 61.734 62.100 0.042 0.000 1.025 82 T CB -0.066 68.872 68.868 0.116 0.000 1.000 82 T HN 0.593 nan 8.240 nan 0.000 0.535 83 N N 0.410 119.130 118.700 0.033 0.000 2.459 83 N HA -0.055 4.679 4.740 -0.011 0.000 0.181 83 N C 1.575 177.105 175.510 0.033 0.000 1.046 83 N CA 0.501 53.563 53.050 0.021 0.000 0.904 83 N CB -0.139 38.368 38.487 0.033 0.000 0.964 83 N HN 0.554 nan 8.380 nan 0.000 0.444 84 Q N -0.327 119.505 119.800 0.054 0.000 2.403 84 Q HA 0.174 4.507 4.340 -0.011 0.000 0.203 84 Q C 0.818 176.841 176.000 0.038 0.000 0.932 84 Q CA 0.167 55.997 55.803 0.046 0.000 0.945 84 Q CB 0.272 29.044 28.738 0.057 0.000 1.045 84 Q HN 0.416 nan 8.270 nan 0.000 0.511 85 G N 0.300 109.121 108.800 0.035 0.000 2.141 85 G HA2 -0.242 3.712 3.960 -0.011 0.000 0.242 85 G HA3 -0.242 3.712 3.960 -0.011 0.000 0.242 85 G C 0.115 175.041 174.900 0.044 0.000 0.982 85 G CA 0.175 45.291 45.100 0.027 0.000 0.662 85 G HN 0.231 nan 8.290 nan 0.000 0.527 86 V N 1.841 121.798 119.914 0.072 0.000 2.432 86 V HA 0.363 4.477 4.120 -0.011 0.000 0.271 86 V C 1.279 177.414 176.094 0.069 0.000 1.046 86 V CA -0.630 61.725 62.300 0.092 0.000 0.945 86 V CB 1.123 33.047 31.823 0.169 0.000 0.992 86 V HN 0.391 nan 8.190 nan 0.000 0.471 87 R N 4.428 124.961 120.500 0.055 0.000 2.522 87 R HA 0.317 4.651 4.340 -0.011 0.000 0.284 87 R C -0.536 175.779 176.300 0.024 0.000 1.032 87 R CA -0.019 56.103 56.100 0.038 0.000 1.049 87 R CB 0.444 30.766 30.300 0.037 0.000 0.956 87 R HN 0.577 nan 8.270 nan 0.000 0.422 88 I N 2.272 122.845 120.570 0.004 0.000 2.331 88 I HA 0.106 4.269 4.170 -0.011 0.000 0.292 88 I C 1.059 177.166 176.117 -0.016 0.000 0.998 88 I CA 0.046 61.333 61.300 -0.022 0.000 1.267 88 I CB 1.835 39.811 38.000 -0.040 0.000 1.386 88 I HN 0.760 nan 8.210 nan 0.000 0.476 89 A N 4.149 126.956 122.820 -0.021 0.000 1.903 89 A HA -0.005 4.309 4.320 -0.011 0.000 0.213 89 A C 0.714 178.283 177.584 -0.024 0.000 1.185 89 A CA 0.999 53.026 52.037 -0.016 0.000 0.628 89 A CB 0.032 19.025 19.000 -0.011 0.000 0.830 89 A HN 0.685 nan 8.150 nan 0.000 0.446 90 D N -0.654 119.724 120.400 -0.038 0.000 2.469 90 D HA 0.338 4.972 4.640 -0.011 0.000 0.251 90 D C -1.406 174.863 176.300 -0.052 0.000 1.173 90 D CA -0.376 53.600 54.000 -0.040 0.000 0.882 90 D CB 1.240 42.017 40.800 -0.039 0.000 1.129 90 D HN 0.056 nan 8.370 nan 0.000 0.549 91 D N 2.123 122.495 120.400 -0.046 0.000 2.491 91 D HA 0.070 4.703 4.640 -0.011 0.000 0.228 91 D C 0.589 176.858 176.300 -0.052 0.000 1.183 91 D CA 0.215 54.183 54.000 -0.052 0.000 0.827 91 D CB 0.503 41.277 40.800 -0.044 0.000 0.989 91 D HN 0.205 nan 8.370 nan 0.000 0.494 92 Q N -0.691 119.080 119.800 -0.048 0.000 2.316 92 Q HA 0.276 4.610 4.340 -0.011 0.000 0.235 92 Q C -0.122 175.849 176.000 -0.049 0.000 0.863 92 Q CA 0.256 56.031 55.803 -0.046 0.000 0.939 92 Q CB 0.736 29.452 28.738 -0.038 0.000 1.108 92 Q HN 0.188 nan 8.270 nan 0.000 0.522 93 N N 0.067 118.737 118.700 -0.051 0.000 2.242 93 N HA 0.353 5.086 4.740 -0.011 0.000 0.292 93 N C -0.930 174.546 175.510 -0.056 0.000 1.125 93 N CA -0.247 52.775 53.050 -0.048 0.000 0.783 93 N CB 2.142 40.605 38.487 -0.039 0.000 1.558 93 N HN -0.174 nan 8.380 nan 0.000 0.472 94 S N 0.683 116.353 115.700 -0.050 0.000 2.632 94 S HA 0.316 4.779 4.470 -0.011 0.000 0.267 94 S C 0.118 174.692 174.600 -0.043 0.000 1.276 94 S CA -0.614 57.555 58.200 -0.051 0.000 0.998 94 S CB 0.851 64.027 63.200 -0.040 0.000 0.953 94 S HN 0.407 nan 8.310 nan 0.000 0.547 95 L N 3.216 124.413 121.223 -0.042 0.000 2.313 95 L HA 0.417 4.750 4.340 -0.011 0.000 0.282 95 L C 0.018 176.880 176.870 -0.014 0.000 1.092 95 L CA 0.358 55.182 54.840 -0.028 0.000 0.831 95 L CB -0.159 41.886 42.059 -0.024 0.000 1.159 95 L HN 0.729 nan 8.230 nan 0.000 0.442 96 R N 4.276 124.770 120.500 -0.011 0.000 2.771 96 R HA 0.828 5.162 4.340 -0.011 0.000 0.274 96 R C -1.044 175.254 176.300 -0.002 0.000 0.987 96 R CA -0.792 55.305 56.100 -0.006 0.000 0.908 96 R CB 1.145 31.440 30.300 -0.009 0.000 1.213 96 R HN 0.604 nan 8.270 nan 0.000 0.468 97 A N 1.663 124.484 122.820 0.001 0.000 2.666 97 A HA 0.534 4.848 4.320 -0.011 0.000 0.301 97 A C 0.756 178.340 177.584 -0.000 0.000 1.470 97 A CA 0.572 52.610 52.037 0.002 0.000 1.159 97 A CB -1.155 17.847 19.000 0.004 0.000 1.116 97 A HN 1.261 nan 8.150 nan 0.000 0.548 98 G N 1.213 110.012 108.800 -0.001 0.000 2.705 98 G HA2 0.038 3.991 3.960 -0.011 0.000 0.686 98 G HA3 0.038 3.991 3.960 -0.011 0.000 0.686 98 G C 0.664 175.561 174.900 -0.005 0.000 1.285 98 G CA 0.156 45.255 45.100 -0.003 0.000 0.800 98 G HN 1.873 nan 8.290 nan 0.000 0.611 99 S N -0.397 115.299 115.700 -0.006 0.000 2.555 99 S HA 0.047 4.511 4.470 -0.011 0.000 0.230 99 S C 1.457 176.051 174.600 -0.009 0.000 0.978 99 S CA 1.338 59.533 58.200 -0.009 0.000 0.934 99 S CB 0.075 63.270 63.200 -0.009 0.000 0.766 99 S HN 0.752 nan 8.310 nan 0.000 0.533 100 R N 0.586 121.081 120.500 -0.008 0.000 2.629 100 R HA 0.336 4.670 4.340 -0.011 0.000 0.386 100 R C 0.808 177.104 176.300 -0.006 0.000 1.071 100 R CA 0.020 56.116 56.100 -0.008 0.000 1.104 100 R CB 0.933 31.229 30.300 -0.007 0.000 1.370 100 R HN 0.419 nan 8.270 nan 0.000 0.574 101 G N 1.660 110.457 108.800 -0.006 0.000 2.557 101 G HA2 0.394 4.348 3.960 -0.011 0.000 0.302 101 G HA3 0.394 4.348 3.960 -0.011 0.000 0.302 101 G C -2.406 172.492 174.900 -0.004 0.000 1.311 101 G CA -1.122 43.976 45.100 -0.004 0.000 1.030 101 G HN -0.114 nan 8.290 nan 0.000 0.509 102 P HA 0.207 nan 4.420 nan 0.000 0.271 102 P C -0.017 177.283 177.300 -0.001 0.000 1.216 102 P CA -0.045 63.055 63.100 -0.001 0.000 0.776 102 P CB 0.701 32.403 31.700 0.002 0.000 0.881 103 T N 2.730 117.283 114.554 -0.001 0.000 2.918 103 T HA 0.244 4.587 4.350 -0.011 0.000 0.302 103 T C 0.479 175.183 174.700 0.005 0.000 1.045 103 T CA -0.060 62.039 62.100 -0.002 0.000 1.114 103 T CB 0.037 68.902 68.868 -0.005 0.000 0.965 103 T HN 0.193 nan 8.240 nan 0.000 0.540 104 L N 3.139 124.367 121.223 0.008 0.000 2.322 104 L HA 0.350 4.684 4.340 -0.011 0.000 0.279 104 L C 1.254 178.140 176.870 0.027 0.000 1.036 104 L CA -0.812 54.039 54.840 0.018 0.000 0.807 104 L CB 1.128 43.199 42.059 0.021 0.000 1.226 104 L HN 0.499 nan 8.230 nan 0.000 0.433 105 L N 2.061 123.304 121.223 0.033 0.000 2.265 105 L HA -0.165 4.169 4.340 -0.011 0.000 0.215 105 L C 2.259 179.168 176.870 0.065 0.000 1.117 105 L CA 1.566 56.431 54.840 0.043 0.000 0.782 105 L CB -0.570 41.513 42.059 0.038 0.000 0.914 105 L HN 0.787 nan 8.230 nan 0.000 0.441 106 E N -1.695 118.548 120.200 0.072 0.000 2.511 106 E HA -0.159 4.184 4.350 -0.011 0.000 0.196 106 E C 0.234 176.934 176.600 0.166 0.000 1.066 106 E CA 0.138 56.607 56.400 0.115 0.000 0.871 106 E CB -0.425 29.334 29.700 0.100 0.000 0.863 106 E HN 0.343 nan 8.360 nan 0.000 0.520 107 D N 1.240 121.691 120.400 0.086 0.000 2.398 107 D HA -0.055 4.578 4.640 -0.011 0.000 0.250 107 D C 0.437 176.757 176.300 0.033 0.000 1.287 107 D CA -0.343 53.664 54.000 0.012 0.000 0.992 107 D CB -0.076 40.703 40.800 -0.035 0.000 1.071 107 D HN 0.309 nan 8.370 nan 0.000 0.514 108 F N 2.258 122.217 119.950 0.015 0.000 2.367 108 F HA 0.100 4.620 4.527 -0.011 0.000 0.298 108 F C 1.656 177.469 175.800 0.021 0.000 1.094 108 F CA 0.089 58.101 58.000 0.019 0.000 1.409 108 F CB -0.578 38.432 39.000 0.017 0.000 1.064 108 F HN 0.185 nan 8.300 nan 0.000 0.528 109 I N 0.485 120.641 120.570 -0.691 0.000 2.252 109 I HA -0.201 3.962 4.170 -0.011 0.000 0.245 109 I C 2.473 178.483 176.117 -0.178 0.000 1.102 109 I CA 1.068 62.094 61.300 -0.455 0.000 1.385 109 I CB -0.488 37.181 38.000 -0.553 0.000 1.064 109 I HN 0.287 nan 8.210 nan 0.000 0.414 110 L N 1.068 122.199 121.223 -0.152 0.000 1.994 110 L HA -0.188 4.146 4.340 -0.011 0.000 0.208 110 L C 2.649 179.513 176.870 -0.011 0.000 1.071 110 L CA 1.850 56.647 54.840 -0.071 0.000 0.745 110 L CB -0.553 41.469 42.059 -0.061 0.000 0.892 110 L HN 0.041 nan 8.230 nan 0.000 0.431 111 R N -0.536 119.975 120.500 0.020 0.000 2.096 111 R HA -0.190 4.143 4.340 -0.011 0.000 0.235 111 R C 2.317 178.675 176.300 0.096 0.000 1.127 111 R CA 1.606 57.746 56.100 0.067 0.000 0.968 111 R CB -0.429 29.924 30.300 0.088 0.000 0.861 111 R HN 0.609 nan 8.270 nan 0.000 0.440 112 E N 1.227 121.486 120.200 0.098 0.000 2.047 112 E HA -0.231 4.112 4.350 -0.011 0.000 0.191 112 E C 1.940 178.617 176.600 0.127 0.000 0.987 112 E CA 1.196 57.671 56.400 0.125 0.000 0.799 112 E CB 0.104 29.882 29.700 0.130 0.000 0.752 112 E HN 0.157 nan 8.360 nan 0.000 0.449 113 K N 0.295 120.740 120.400 0.075 0.000 2.026 113 K HA -0.149 4.165 4.320 -0.011 0.000 0.208 113 K C 2.144 178.822 176.600 0.129 0.000 1.048 113 K CA 1.494 57.824 56.287 0.071 0.000 0.929 113 K CB -0.054 32.447 32.500 -0.000 0.000 0.713 113 K HN 0.142 nan 8.250 nan 0.000 0.439 114 I N 1.310 121.941 120.570 0.101 0.000 2.315 114 I HA -0.187 3.977 4.170 -0.011 0.000 0.248 114 I C 2.166 178.411 176.117 0.214 0.000 1.117 114 I CA 1.327 62.713 61.300 0.143 0.000 1.404 114 I CB -1.516 36.530 38.000 0.077 0.000 1.071 114 I HN 0.259 nan 8.210 nan 0.000 0.419 115 T N -0.126 114.543 114.554 0.192 0.000 2.652 115 T HA -0.238 4.105 4.350 -0.011 0.000 0.267 115 T C 1.963 176.831 174.700 0.281 0.000 1.039 115 T CA 1.562 63.805 62.100 0.238 0.000 1.153 115 T CB -0.503 68.493 68.868 0.214 0.000 0.863 115 T HN 0.349 nan 8.240 nan 0.000 0.428 116 H N -0.116 119.058 119.070 0.173 0.000 2.319 116 H HA -0.120 4.430 4.556 -0.009 0.000 0.297 116 H C 2.237 177.633 175.328 0.113 0.000 1.097 116 H CA 1.984 58.114 56.048 0.137 0.000 1.285 116 H CB -0.491 29.331 29.762 0.099 0.000 1.368 116 H HN 0.391 nan 8.280 nan 0.000 0.495 117 F N 2.096 122.132 119.950 0.144 0.000 2.095 117 F HA -0.215 4.307 4.527 -0.008 0.000 0.298 117 F C 1.997 177.765 175.800 -0.054 0.000 1.104 117 F CA 1.846 59.870 58.000 0.041 0.000 1.232 117 F CB -0.344 38.669 39.000 0.020 0.000 0.987 117 F HN 0.085 nan 8.300 nan 0.000 0.475 118 D N -1.226 119.106 120.400 -0.114 0.000 2.309 118 D HA -0.135 4.498 4.640 -0.011 0.000 0.212 118 D C 1.080 177.012 176.300 -0.615 0.000 0.968 118 D CA 1.206 54.976 54.000 -0.383 0.000 0.882 118 D CB -0.381 40.203 40.800 -0.359 0.000 0.918 118 D HN 0.521 nan 8.370 nan 0.000 0.503 119 H N -0.445 118.503 119.070 -0.203 0.000 2.492 119 H HA 0.230 4.779 4.556 -0.012 0.000 0.264 119 H C 0.877 176.041 175.328 -0.274 0.000 1.150 119 H CA -0.102 55.824 56.048 -0.204 0.000 0.962 119 H CB 0.581 30.245 29.762 -0.163 0.000 1.766 119 H HN 0.233 nan 8.280 nan 0.000 0.589 120 E N 0.786 120.824 120.200 -0.270 0.000 2.106 120 E HA -0.035 4.309 4.350 -0.011 0.000 0.192 120 E C 0.524 176.954 176.600 -0.283 0.000 0.984 120 E CA 0.541 56.750 56.400 -0.318 0.000 0.806 120 E CB 0.442 29.935 29.700 -0.344 0.000 0.750 120 E HN 0.170 nan 8.360 nan 0.000 0.458 121 R N 1.455 121.842 120.500 -0.187 0.000 2.390 121 R HA 0.296 4.630 4.340 -0.011 0.000 0.291 121 R C 0.434 176.750 176.300 0.027 0.000 1.070 121 R CA -0.155 55.904 56.100 -0.069 0.000 1.014 121 R CB 0.533 30.793 30.300 -0.067 0.000 1.007 121 R HN 0.194 nan 8.270 nan 0.000 0.466 122 I N -0.600 120.052 120.570 0.137 0.000 2.750 122 I HA 0.559 4.723 4.170 -0.011 0.000 0.308 122 I C -2.172 174.001 176.117 0.094 0.000 1.016 122 I CA -2.991 58.387 61.300 0.129 0.000 1.098 122 I CB 1.643 39.761 38.000 0.197 0.000 1.279 122 I HN 0.245 nan 8.210 nan 0.000 0.454 123 P HA 0.064 nan 4.420 nan 0.000 0.265 123 P C -0.881 176.448 177.300 0.048 0.000 1.193 123 P CA 0.021 63.144 63.100 0.038 0.000 0.765 123 P CB 0.370 32.081 31.700 0.018 0.000 0.823 124 E N 2.811 123.041 120.200 0.051 0.000 2.371 124 E HA 0.195 4.538 4.350 -0.011 0.000 0.257 124 E C -0.461 176.166 176.600 0.045 0.000 1.134 124 E CA -0.886 55.552 56.400 0.063 0.000 0.919 124 E CB 0.620 30.361 29.700 0.069 0.000 1.025 124 E HN 0.250 nan 8.360 nan 0.000 0.438 125 R N 1.085 121.617 120.500 0.054 0.000 2.585 125 R HA -0.021 4.313 4.340 -0.011 0.000 0.275 125 R C 1.277 177.611 176.300 0.058 0.000 1.018 125 R CA -0.404 55.725 56.100 0.049 0.000 1.072 125 R CB 0.216 30.565 30.300 0.080 0.000 0.953 125 R HN 0.580 nan 8.270 nan 0.000 0.419 126 I N 2.143 122.740 120.570 0.045 0.000 2.151 126 I HA -0.182 3.981 4.170 -0.011 0.000 0.243 126 I C 1.250 177.420 176.117 0.089 0.000 1.080 126 I CA 1.652 62.987 61.300 0.059 0.000 1.339 126 I CB -1.146 36.890 38.000 0.061 0.000 1.039 126 I HN 0.389 nan 8.210 nan 0.000 0.409 127 V N -3.353 116.650 119.914 0.148 0.000 3.102 127 V HA 0.504 4.617 4.120 -0.011 0.000 0.312 127 V C 0.388 176.657 176.094 0.291 0.000 1.135 127 V CA -0.914 61.504 62.300 0.196 0.000 1.022 127 V CB 1.714 33.731 31.823 0.323 0.000 1.056 127 V HN 0.436 nan 8.190 nan 0.000 0.436 128 H N 0.097 119.231 119.070 0.107 0.000 2.862 128 H HA -0.220 4.327 4.556 -0.015 0.000 0.290 128 H C 1.503 176.877 175.328 0.078 0.000 1.211 128 H CA 0.731 56.835 56.048 0.094 0.000 1.140 128 H CB -1.203 28.604 29.762 0.076 0.000 1.341 128 H HN 1.121 nan 8.280 nan 0.000 0.392 129 A N 0.742 123.652 122.820 0.151 0.000 2.015 129 A HA -0.082 4.232 4.320 -0.011 0.000 0.219 129 A C 1.680 179.353 177.584 0.149 0.000 1.163 129 A CA 1.199 53.314 52.037 0.129 0.000 0.646 129 A CB -0.029 19.026 19.000 0.092 0.000 0.806 129 A HN 0.267 nan 8.150 nan 0.000 0.448 130 R N 0.172 120.760 120.500 0.146 0.000 2.198 130 R HA 0.514 4.848 4.340 -0.011 0.000 0.339 130 R C -0.180 176.242 176.300 0.202 0.000 1.020 130 R CA 0.699 56.903 56.100 0.173 0.000 0.864 130 R CB 0.333 30.720 30.300 0.144 0.000 1.105 130 R HN 0.297 nan 8.270 nan 0.000 0.463 131 G N 0.920 109.861 108.800 0.236 0.000 2.698 131 G HA2 0.501 4.455 3.960 -0.011 0.000 0.293 131 G HA3 0.501 4.455 3.960 -0.011 0.000 0.293 131 G C -1.571 173.480 174.900 0.252 0.000 1.437 131 G CA -0.593 44.614 45.100 0.178 0.000 0.852 131 G HN 0.483 nan 8.290 nan 0.000 0.499 132 S N -0.878 114.924 115.700 0.169 0.000 2.521 132 S HA 0.878 5.342 4.470 -0.011 0.000 0.295 132 S C -0.084 174.519 174.600 0.005 0.000 1.098 132 S CA -0.240 58.112 58.200 0.253 0.000 0.999 132 S CB 1.722 65.195 63.200 0.456 0.000 1.034 132 S HN 1.450 nan 8.310 nan 0.000 0.483 133 A N 1.668 124.456 122.820 -0.054 0.000 2.469 133 A HA 1.033 5.347 4.320 -0.011 0.000 0.299 133 A C -0.840 176.541 177.584 -0.337 0.000 1.098 133 A CA -0.743 51.050 52.037 -0.405 0.000 0.737 133 A CB 1.613 20.217 19.000 -0.659 0.000 1.312 133 A HN 1.307 nan 8.150 nan 0.000 0.414 134 A N 0.396 122.860 122.820 -0.593 0.000 2.610 134 A HA 0.718 5.032 4.320 -0.011 0.000 0.291 134 A C -1.179 176.167 177.584 -0.396 0.000 1.086 134 A CA -0.653 51.183 52.037 -0.336 0.000 0.677 134 A CB 0.746 19.642 19.000 -0.173 0.000 1.278 134 A HN 0.878 nan 8.150 nan 0.000 0.414 135 H N -0.395 118.661 119.070 -0.024 0.000 2.482 135 H HA 0.689 5.239 4.556 -0.009 0.000 0.344 135 H C 0.571 175.880 175.328 -0.032 0.000 1.151 135 H CA 0.847 56.945 56.048 0.083 0.000 1.300 135 H CB 1.863 31.689 29.762 0.105 0.000 1.494 135 H HN 1.137 nan 8.280 nan 0.000 0.542 136 G N 0.700 109.586 108.800 0.143 0.000 2.578 136 G HA2 0.378 4.332 3.960 -0.011 0.000 0.302 136 G HA3 0.378 4.332 3.960 -0.011 0.000 0.302 136 G C -2.046 172.973 174.900 0.198 0.000 1.243 136 G CA -0.688 44.448 45.100 0.060 0.000 0.843 136 G HN 0.610 nan 8.290 nan 0.000 0.486 137 Y N -1.705 118.637 120.300 0.068 0.000 2.571 137 Y HA 0.834 5.378 4.550 -0.011 0.000 0.341 137 Y C -1.705 174.339 175.900 0.240 0.000 1.076 137 Y CA -1.994 56.193 58.100 0.145 0.000 1.029 137 Y CB 1.888 40.406 38.460 0.097 0.000 1.308 137 Y HN 0.759 nan 8.280 nan 0.000 0.461 138 F N 2.240 122.371 119.950 0.303 0.000 2.561 138 F HA 0.738 5.260 4.527 -0.008 0.000 0.321 138 F C -1.215 174.815 175.800 0.383 0.000 1.065 138 F CA -0.658 57.531 58.000 0.316 0.000 0.934 138 F CB 2.381 41.684 39.000 0.505 0.000 1.215 138 F HN 0.786 nan 8.300 nan 0.000 0.471 139 Q N 5.850 125.139 119.800 -0.851 0.000 2.295 139 Q HA 0.431 4.765 4.340 -0.011 0.000 0.268 139 Q C -2.899 172.519 176.000 -0.971 0.000 1.010 139 Q CA -2.292 53.154 55.803 -0.595 0.000 0.856 139 Q CB 2.938 31.635 28.738 -0.068 0.000 1.349 139 Q HN 0.334 nan 8.270 nan 0.000 0.412 140 P HA 0.055 nan 4.420 nan 0.000 0.274 140 P C -0.612 176.624 177.300 -0.107 0.000 1.231 140 P CA 0.203 63.108 63.100 -0.324 0.000 0.790 140 P CB 0.423 32.076 31.700 -0.078 0.000 0.951 141 Y N 0.578 120.822 120.300 -0.094 0.000 2.490 141 Y HA 0.029 4.574 4.550 -0.009 0.000 0.285 141 Y C 1.301 177.176 175.900 -0.042 0.000 1.117 141 Y CA 0.044 58.110 58.100 -0.057 0.000 1.262 141 Y CB 0.418 38.853 38.460 -0.042 0.000 1.043 141 Y HN 0.348 nan 8.280 nan 0.000 0.553 142 K N -0.935 119.526 120.400 0.102 0.000 2.607 142 K HA 0.313 4.627 4.320 -0.011 0.000 0.287 142 K C -1.099 175.507 176.600 0.009 0.000 0.996 142 K CA -0.872 55.445 56.287 0.049 0.000 0.876 142 K CB 1.417 33.947 32.500 0.049 0.000 1.496 142 K HN -0.228 nan 8.250 nan 0.000 0.415 143 S N 1.270 116.972 115.700 0.004 0.000 2.533 143 S HA 0.205 4.669 4.470 -0.011 0.000 0.282 143 S C 0.282 174.870 174.600 -0.020 0.000 1.304 143 S CA -0.649 57.544 58.200 -0.011 0.000 1.063 143 S CB -0.118 63.079 63.200 -0.005 0.000 0.881 143 S HN 0.548 nan 8.310 nan 0.000 0.493 144 L N 4.877 126.077 121.223 -0.039 0.000 2.984 144 L HA 0.158 4.492 4.340 -0.011 0.000 0.246 144 L C 1.940 178.793 176.870 -0.030 0.000 1.268 144 L CA -0.134 54.689 54.840 -0.029 0.000 1.054 144 L CB -0.182 41.858 42.059 -0.031 0.000 1.393 144 L HN 0.871 nan 8.230 nan 0.000 0.532 145 S N -1.948 113.735 115.700 -0.029 0.000 2.419 145 S HA -0.190 4.274 4.470 -0.011 0.000 0.235 145 S C 1.269 175.854 174.600 -0.025 0.000 1.019 145 S CA 1.178 59.361 58.200 -0.029 0.000 0.982 145 S CB -0.117 63.071 63.200 -0.020 0.000 0.789 145 S HN 0.391 nan 8.310 nan 0.000 0.490 146 D N 1.985 122.375 120.400 -0.018 0.000 2.219 146 D HA 0.019 4.652 4.640 -0.011 0.000 0.205 146 D C 1.800 178.086 176.300 -0.023 0.000 0.970 146 D CA 1.439 55.429 54.000 -0.016 0.000 0.851 146 D CB -0.189 40.606 40.800 -0.008 0.000 0.943 146 D HN 0.808 nan 8.370 nan 0.000 0.488 147 I N -4.548 116.009 120.570 -0.022 0.000 4.312 147 I HA 0.227 4.390 4.170 -0.011 0.000 0.324 147 I C 0.522 176.606 176.117 -0.056 0.000 1.298 147 I CA -0.026 61.254 61.300 -0.033 0.000 1.231 147 I CB 1.016 39.013 38.000 -0.004 0.000 1.152 147 I HN -0.247 nan 8.210 nan 0.000 0.421 148 T N 1.698 116.221 114.554 -0.052 0.000 2.933 148 T HA 0.364 4.708 4.350 -0.011 0.000 0.305 148 T C -0.131 174.522 174.700 -0.078 0.000 1.092 148 T CA -0.721 61.330 62.100 -0.081 0.000 1.008 148 T CB 1.794 70.605 68.868 -0.096 0.000 1.102 148 T HN 0.426 nan 8.240 nan 0.000 0.469 149 K N 2.473 122.827 120.400 -0.077 0.000 2.446 149 K HA 0.603 4.917 4.320 -0.011 0.000 0.203 149 K C 0.629 177.195 176.600 -0.056 0.000 1.027 149 K CA -0.461 55.791 56.287 -0.058 0.000 1.166 149 K CB 0.324 32.797 32.500 -0.045 0.000 0.869 149 K HN 0.469 nan 8.250 nan 0.000 0.504 150 A N 1.901 124.663 122.820 -0.096 0.000 2.522 150 A HA -0.027 4.286 4.320 -0.011 0.000 0.256 150 A C 0.546 178.085 177.584 -0.076 0.000 1.086 150 A CA -0.087 51.897 52.037 -0.088 0.000 0.763 150 A CB 0.108 18.985 19.000 -0.204 0.000 1.024 150 A HN 0.443 nan 8.150 nan 0.000 0.502 151 D N 2.238 122.670 120.400 0.054 0.000 2.123 151 D HA -0.248 4.385 4.640 -0.011 0.000 0.196 151 D C 1.381 177.753 176.300 0.120 0.000 0.992 151 D CA 2.398 56.449 54.000 0.085 0.000 0.833 151 D CB -0.242 40.636 40.800 0.131 0.000 0.954 151 D HN 0.746 nan 8.370 nan 0.000 0.455 152 F N -0.656 119.321 119.950 0.045 0.000 2.546 152 F HA 0.124 4.646 4.527 -0.009 0.000 0.298 152 F C 1.147 177.039 175.800 0.153 0.000 1.120 152 F CA 0.458 58.526 58.000 0.113 0.000 1.456 152 F CB -0.269 38.800 39.000 0.116 0.000 1.088 152 F HN -0.056 nan 8.300 nan 0.000 0.572 153 L N 0.886 121.804 121.223 -0.508 0.000 2.769 153 L HA 0.191 4.525 4.340 -0.011 0.000 0.240 153 L C 1.837 178.617 176.870 -0.149 0.000 1.163 153 L CA 0.346 54.963 54.840 -0.371 0.000 0.962 153 L CB -0.168 41.554 42.059 -0.561 0.000 1.258 153 L HN 0.335 nan 8.230 nan 0.000 0.513 154 S N -2.381 113.274 115.700 -0.074 0.000 2.524 154 S HA 0.048 4.512 4.470 -0.011 0.000 0.216 154 S C 0.290 174.887 174.600 -0.005 0.000 0.987 154 S CA -0.128 58.052 58.200 -0.033 0.000 0.909 154 S CB 0.092 63.285 63.200 -0.011 0.000 0.781 154 S HN 0.403 nan 8.310 nan 0.000 0.521 155 D N 0.267 120.674 120.400 0.012 0.000 2.886 155 D HA 0.365 4.998 4.640 -0.011 0.000 0.216 155 D C -2.595 173.722 176.300 0.028 0.000 1.256 155 D CA -1.730 52.283 54.000 0.022 0.000 0.844 155 D CB 1.870 42.689 40.800 0.032 0.000 1.669 155 D HN -0.212 nan 8.370 nan 0.000 0.513 156 P HA -0.043 nan 4.420 nan 0.000 0.222 156 P C 0.259 177.578 177.300 0.033 0.000 1.147 156 P CA 0.975 64.091 63.100 0.027 0.000 0.790 156 P CB 0.115 31.840 31.700 0.042 0.000 0.780 157 N N -0.854 117.868 118.700 0.036 0.000 2.336 157 N HA 0.010 4.744 4.740 -0.011 0.000 0.189 157 N C 0.621 176.163 175.510 0.054 0.000 1.113 157 N CA -0.141 52.933 53.050 0.039 0.000 0.858 157 N CB -0.022 38.483 38.487 0.030 0.000 0.970 157 N HN 0.096 nan 8.380 nan 0.000 0.471 158 K N 1.940 122.384 120.400 0.073 0.000 2.284 158 K HA 0.258 4.572 4.320 -0.011 0.000 0.287 158 K C -0.867 175.827 176.600 0.155 0.000 1.081 158 K CA -0.149 56.207 56.287 0.114 0.000 0.910 158 K CB 0.427 33.009 32.500 0.136 0.000 1.088 158 K HN 0.026 nan 8.250 nan 0.000 0.478 159 I N 3.890 124.551 120.570 0.152 0.000 2.315 159 I HA 0.138 4.301 4.170 -0.011 0.000 0.291 159 I C -0.215 176.067 176.117 0.276 0.000 1.006 159 I CA -0.444 60.974 61.300 0.196 0.000 1.265 159 I CB 1.887 39.942 38.000 0.091 0.000 1.387 159 I HN 0.530 nan 8.210 nan 0.000 0.475 160 T N 7.568 122.374 114.554 0.420 0.000 2.772 160 T HA 0.347 4.691 4.350 -0.011 0.000 0.288 160 T C -2.457 172.506 174.700 0.438 0.000 0.994 160 T CA -1.443 60.928 62.100 0.453 0.000 0.951 160 T CB 1.315 70.557 68.868 0.623 0.000 0.933 160 T HN 0.239 nan 8.240 nan 0.000 0.447 161 P HA 0.274 nan 4.420 nan 0.000 0.269 161 P C -0.618 176.925 177.300 0.405 0.000 1.209 161 P CA -0.397 62.905 63.100 0.336 0.000 0.776 161 P CB 0.538 32.369 31.700 0.219 0.000 0.876 162 V N -0.660 119.442 119.914 0.313 0.000 3.159 162 V HA 0.752 4.865 4.120 -0.011 0.000 0.308 162 V C -1.534 174.713 176.094 0.256 0.000 1.190 162 V CA -0.955 61.426 62.300 0.136 0.000 1.037 162 V CB 2.339 34.024 31.823 -0.230 0.000 1.060 162 V HN 0.346 nan 8.190 nan 0.000 0.437 163 F N 1.837 121.747 119.950 -0.066 0.000 2.579 163 F HA 0.820 5.339 4.527 -0.014 0.000 0.325 163 F C -1.035 174.654 175.800 -0.186 0.000 1.162 163 F CA -0.634 57.279 58.000 -0.145 0.000 0.946 163 F CB 1.817 40.767 39.000 -0.083 0.000 1.211 163 F HN 0.527 nan 8.300 nan 0.000 0.447 164 V N 6.684 126.125 119.914 -0.788 0.000 2.459 164 V HA 0.563 4.676 4.120 -0.011 0.000 0.295 164 V C -0.546 174.852 176.094 -1.159 0.000 1.029 164 V CA -0.790 60.962 62.300 -0.912 0.000 0.874 164 V CB 1.863 33.083 31.823 -1.006 0.000 0.985 164 V HN 0.715 nan 8.190 nan 0.000 0.438 165 R N 3.958 123.769 120.500 -1.149 0.000 2.439 165 R HA 0.592 4.926 4.340 -0.011 0.000 0.310 165 R C -1.564 174.116 176.300 -1.032 0.000 0.955 165 R CA -0.411 55.119 56.100 -0.950 0.000 0.853 165 R CB 1.003 30.919 30.300 -0.641 0.000 1.171 165 R HN 0.542 nan 8.270 nan 0.000 0.449 166 F N 2.020 121.546 119.950 -0.706 0.000 2.399 166 F HA 0.537 5.059 4.527 -0.010 0.000 0.328 166 F C 0.601 176.058 175.800 -0.571 0.000 1.084 166 F CA -0.096 57.385 58.000 -0.864 0.000 1.053 166 F CB 2.088 40.081 39.000 -1.678 0.000 1.209 166 F HN 0.662 nan 8.300 nan 0.000 0.502 167 S N -0.962 114.664 115.700 -0.124 0.000 2.636 167 S HA 0.627 5.091 4.470 -0.011 0.000 0.268 167 S C -0.688 174.041 174.600 0.215 0.000 1.159 167 S CA -0.790 57.473 58.200 0.104 0.000 0.815 167 S CB 1.278 64.575 63.200 0.161 0.000 1.130 167 S HN 0.736 nan 8.310 nan 0.000 0.471 168 T N -1.696 112.978 114.554 0.200 0.000 2.888 168 T HA 0.749 5.092 4.350 -0.011 0.000 0.283 168 T C 0.700 175.368 174.700 -0.052 0.000 1.013 168 T CA -0.135 62.047 62.100 0.137 0.000 0.938 168 T CB 0.685 69.642 68.868 0.148 0.000 1.298 168 T HN 0.699 nan 8.240 nan 0.000 0.580 169 V N -0.252 119.597 119.914 -0.108 0.000 2.948 169 V HA 0.116 4.229 4.120 -0.011 0.000 0.234 169 V C 2.717 178.738 176.094 -0.123 0.000 1.205 169 V CA 0.294 62.408 62.300 -0.309 0.000 1.234 169 V CB -0.106 31.606 31.823 -0.185 0.000 1.020 169 V HN 0.857 nan 8.190 nan 0.000 0.491 170 Q N 1.085 120.845 119.800 -0.067 0.000 2.020 170 Q HA 0.043 4.377 4.340 -0.011 0.000 0.198 170 Q C 1.313 177.288 176.000 -0.042 0.000 0.974 170 Q CA 1.473 57.235 55.803 -0.068 0.000 0.829 170 Q CB -0.414 28.269 28.738 -0.092 0.000 0.894 170 Q HN 0.583 nan 8.270 nan 0.000 0.433 171 G N -0.185 108.605 108.800 -0.017 0.000 2.636 171 G HA2 0.358 4.312 3.960 -0.011 0.000 0.246 171 G HA3 0.358 4.312 3.960 -0.011 0.000 0.246 171 G C 0.180 175.086 174.900 0.010 0.000 1.216 171 G CA 0.086 45.181 45.100 -0.009 0.000 0.854 171 G HN 0.350 nan 8.290 nan 0.000 0.572 172 G N -1.077 107.725 108.800 0.003 0.000 2.653 172 G HA2 0.478 4.431 3.960 -0.011 0.000 0.265 172 G HA3 0.478 4.431 3.960 -0.011 0.000 0.265 172 G C 1.363 176.292 174.900 0.048 0.000 1.237 172 G CA 0.451 45.563 45.100 0.021 0.000 0.946 172 G HN 1.076 nan 8.290 nan 0.000 0.522 173 A N -0.806 122.054 122.820 0.066 0.000 2.024 173 A HA 0.086 4.400 4.320 -0.011 0.000 0.220 173 A C 2.307 179.929 177.584 0.064 0.000 1.164 173 A CA 2.105 54.200 52.037 0.097 0.000 0.643 173 A CB -0.534 18.542 19.000 0.126 0.000 0.806 173 A HN 1.100 nan 8.150 nan 0.000 0.451 174 G N -0.264 108.554 108.800 0.029 0.000 3.141 174 G HA2 0.294 4.248 3.960 -0.011 0.000 0.218 174 G HA3 0.294 4.248 3.960 -0.011 0.000 0.218 174 G C 0.809 175.710 174.900 0.000 0.000 1.170 174 G CA 0.678 45.780 45.100 0.004 0.000 0.769 174 G HN 0.683 nan 8.290 nan 0.000 0.546 175 S N -0.137 115.571 115.700 0.014 0.000 2.641 175 S HA 0.697 5.161 4.470 -0.011 0.000 0.261 175 S C 0.438 175.050 174.600 0.019 0.000 1.257 175 S CA -0.084 58.121 58.200 0.008 0.000 0.983 175 S CB 1.479 64.685 63.200 0.010 0.000 0.990 175 S HN 0.548 nan 8.310 nan 0.000 0.572 176 A N 0.112 122.939 122.820 0.011 0.000 2.302 176 A HA 0.454 4.768 4.320 -0.011 0.000 0.285 176 A C 0.596 178.197 177.584 0.028 0.000 1.105 176 A CA -0.656 51.383 52.037 0.005 0.000 0.816 176 A CB 0.040 19.024 19.000 -0.025 0.000 1.067 176 A HN 0.850 nan 8.150 nan 0.000 0.489 177 D N 0.613 121.019 120.400 0.010 0.000 2.137 177 D HA -0.073 4.561 4.640 -0.011 0.000 0.202 177 D C 1.617 177.889 176.300 -0.048 0.000 0.970 177 D CA 2.226 56.244 54.000 0.029 0.000 0.837 177 D CB -0.304 40.471 40.800 -0.042 0.000 0.981 177 D HN 0.681 nan 8.370 nan 0.000 0.475 178 T N 0.006 114.446 114.554 -0.191 0.000 3.393 178 T HA 0.241 4.585 4.350 -0.011 0.000 0.248 178 T C 0.944 175.628 174.700 -0.027 0.000 0.992 178 T CA -0.510 61.486 62.100 -0.174 0.000 0.929 178 T CB -1.053 67.641 68.868 -0.290 0.000 1.065 178 T HN -0.059 nan 8.240 nan 0.000 0.597 179 V N -1.253 118.693 119.914 0.053 0.000 3.376 179 V HA 0.390 4.504 4.120 -0.011 0.000 0.303 179 V C 0.717 176.945 176.094 0.223 0.000 1.100 179 V CA -1.402 60.977 62.300 0.131 0.000 1.126 179 V CB 0.357 32.248 31.823 0.112 0.000 1.085 179 V HN 0.545 nan 8.190 nan 0.000 0.480 180 R N 1.612 122.303 120.500 0.318 0.000 2.216 180 R HA 0.470 4.804 4.340 -0.011 0.000 0.332 180 R C -0.938 175.450 176.300 0.148 0.000 1.056 180 R CA -0.059 56.196 56.100 0.260 0.000 0.901 180 R CB 0.119 30.524 30.300 0.175 0.000 1.039 180 R HN 1.060 nan 8.270 nan 0.000 0.456 181 D N 3.128 123.624 120.400 0.160 0.000 2.725 181 D HA 0.218 4.852 4.640 -0.011 0.000 0.292 181 D C -0.824 175.589 176.300 0.189 0.000 1.288 181 D CA -0.594 53.488 54.000 0.136 0.000 0.784 181 D CB 1.202 42.070 40.800 0.114 0.000 1.308 181 D HN 0.232 nan 8.370 nan 0.000 0.429 182 I N 1.281 121.979 120.570 0.213 0.000 2.662 182 I HA 0.314 4.478 4.170 -0.011 0.000 0.291 182 I C 0.652 176.906 176.117 0.228 0.000 1.046 182 I CA -0.237 61.203 61.300 0.234 0.000 1.361 182 I CB 0.422 38.597 38.000 0.292 0.000 1.429 182 I HN 0.241 nan 8.210 nan 0.000 0.558 183 R N 2.866 123.520 120.500 0.257 0.000 2.514 183 R HA 0.520 4.853 4.340 -0.011 0.000 0.301 183 R C -0.043 176.442 176.300 0.308 0.000 0.962 183 R CA -0.688 55.577 56.100 0.275 0.000 0.882 183 R CB 1.532 32.012 30.300 0.300 0.000 1.143 183 R HN 0.804 nan 8.270 nan 0.000 0.452 184 G N 0.983 109.987 108.800 0.339 0.000 2.476 184 G HA2 0.430 4.383 3.960 -0.011 0.000 0.269 184 G HA3 0.430 4.383 3.960 -0.011 0.000 0.269 184 G C -1.180 173.813 174.900 0.155 0.000 1.195 184 G CA -0.051 45.246 45.100 0.327 0.000 0.843 184 G HN 0.382 nan 8.290 nan 0.000 0.545 185 F N 1.523 121.394 119.950 -0.132 0.000 3.090 185 F HA 0.601 5.120 4.527 -0.014 0.000 0.381 185 F C -0.046 175.470 175.800 -0.472 0.000 1.231 185 F CA -1.575 56.241 58.000 -0.305 0.000 1.177 185 F CB 0.911 39.830 39.000 -0.135 0.000 1.598 185 F HN 0.670 nan 8.300 nan 0.000 0.589 186 A N 2.917 125.453 122.820 -0.473 0.000 2.292 186 A HA 0.796 5.110 4.320 -0.011 0.000 0.319 186 A C -0.481 176.679 177.584 -0.708 0.000 1.206 186 A CA -0.394 51.218 52.037 -0.709 0.000 0.835 186 A CB 0.759 18.889 19.000 -1.450 0.000 1.164 186 A HN 0.516 nan 8.150 nan 0.000 0.505 187 T N 2.366 116.671 114.554 -0.415 0.000 2.847 187 T HA 0.352 4.696 4.350 -0.011 0.000 0.291 187 T C -0.371 174.130 174.700 -0.332 0.000 0.998 187 T CA -0.464 61.377 62.100 -0.431 0.000 0.967 187 T CB 0.927 69.465 68.868 -0.551 0.000 0.954 187 T HN 0.630 nan 8.240 nan 0.000 0.441 188 K N 3.795 124.085 120.400 -0.184 0.000 2.268 188 K HA 0.397 4.711 4.320 -0.011 0.000 0.276 188 K C -1.153 175.085 176.600 -0.604 0.000 1.080 188 K CA -0.564 55.502 56.287 -0.367 0.000 0.910 188 K CB 0.199 32.410 32.500 -0.482 0.000 1.163 188 K HN 0.387 nan 8.250 nan 0.000 0.465 189 F N 4.323 123.967 119.950 -0.511 0.000 2.390 189 F HA 0.192 4.711 4.527 -0.013 0.000 0.361 189 F C -0.246 175.329 175.800 -0.376 0.000 1.124 189 F CA -0.526 57.237 58.000 -0.395 0.000 1.149 189 F CB 0.529 39.219 39.000 -0.518 0.000 1.160 189 F HN 0.450 nan 8.300 nan 0.000 0.501 190 Y N 1.909 122.259 120.300 0.083 0.000 2.623 190 Y HA 0.153 4.698 4.550 -0.009 0.000 0.341 190 Y C 1.262 177.216 175.900 0.090 0.000 1.292 190 Y CA -0.894 57.240 58.100 0.057 0.000 1.840 190 Y CB -0.818 37.667 38.460 0.041 0.000 1.865 190 Y HN 0.553 nan 8.280 nan 0.000 0.440 191 T N -2.926 111.722 114.554 0.156 0.000 2.726 191 T HA 0.078 4.422 4.350 -0.011 0.000 0.294 191 T C 0.987 175.787 174.700 0.166 0.000 1.013 191 T CA -0.575 61.627 62.100 0.170 0.000 0.996 191 T CB 0.873 69.820 68.868 0.132 0.000 1.016 191 T HN 0.624 nan 8.240 nan 0.000 0.529 192 E N -0.251 120.051 120.200 0.169 0.000 2.502 192 E HA 0.027 4.371 4.350 -0.011 0.000 0.194 192 E C 0.958 177.628 176.600 0.117 0.000 1.062 192 E CA 0.374 56.855 56.400 0.133 0.000 0.867 192 E CB 0.162 29.936 29.700 0.124 0.000 0.888 192 E HN 0.718 nan 8.360 nan 0.000 0.510 193 E N 0.374 120.647 120.200 0.122 0.000 2.734 193 E HA 0.251 4.595 4.350 -0.011 0.000 0.211 193 E C 0.078 176.732 176.600 0.090 0.000 0.991 193 E CA -0.304 56.160 56.400 0.107 0.000 1.065 193 E CB 1.303 31.071 29.700 0.112 0.000 1.047 193 E HN 0.198 nan 8.360 nan 0.000 0.470 194 G N 1.048 109.895 108.800 0.078 0.000 2.392 194 G HA2 -0.114 3.840 3.960 -0.011 0.000 0.677 194 G HA3 -0.114 3.840 3.960 -0.011 0.000 0.677 194 G C -0.937 173.975 174.900 0.020 0.000 1.334 194 G CA -1.111 44.011 45.100 0.037 0.000 0.961 194 G HN 0.019 nan 8.290 nan 0.000 0.616 195 I N 0.589 121.132 120.570 -0.044 0.000 2.496 195 I HA 0.436 4.600 4.170 -0.011 0.000 0.285 195 I C 0.028 176.153 176.117 0.014 0.000 1.080 195 I CA 0.024 61.269 61.300 -0.091 0.000 1.404 195 I CB 0.824 38.697 38.000 -0.212 0.000 1.403 195 I HN 0.504 nan 8.210 nan 0.000 0.539 196 F N 6.595 126.448 119.950 -0.161 0.000 2.499 196 F HA 0.446 4.966 4.527 -0.012 0.000 0.333 196 F C -0.759 175.013 175.800 -0.047 0.000 1.138 196 F CA -1.158 56.746 58.000 -0.160 0.000 0.945 196 F CB 0.802 39.577 39.000 -0.375 0.000 1.181 196 F HN 0.329 nan 8.300 nan 0.000 0.435 197 D N 6.695 126.842 120.400 -0.421 0.000 2.280 197 D HA 0.246 4.880 4.640 -0.011 0.000 0.236 197 D C -0.890 174.958 176.300 -0.753 0.000 1.082 197 D CA -0.098 53.628 54.000 -0.456 0.000 0.834 197 D CB 2.079 42.816 40.800 -0.105 0.000 1.100 197 D HN 0.520 nan 8.370 nan 0.000 0.486 198 L N 4.050 124.807 121.223 -0.776 0.000 2.272 198 L HA 0.268 4.601 4.340 -0.011 0.000 0.284 198 L C -1.049 175.648 176.870 -0.290 0.000 1.045 198 L CA -0.680 53.819 54.840 -0.569 0.000 0.842 198 L CB 0.998 42.753 42.059 -0.507 0.000 1.224 198 L HN 0.061 nan 8.230 nan 0.000 0.430 199 V N 6.450 126.223 119.914 -0.235 0.000 2.258 199 V HA 0.668 4.781 4.120 -0.011 0.000 0.258 199 V C 0.949 176.976 176.094 -0.113 0.000 1.121 199 V CA 0.168 62.340 62.300 -0.213 0.000 0.942 199 V CB -0.202 31.448 31.823 -0.288 0.000 1.170 199 V HN 0.882 nan 8.190 nan 0.000 0.487 200 G N 2.658 111.411 108.800 -0.078 0.000 2.990 200 G HA2 0.936 4.890 3.960 -0.011 0.000 0.208 200 G HA3 0.936 4.890 3.960 -0.011 0.000 0.208 200 G C -0.584 174.360 174.900 0.074 0.000 1.334 200 G CA -0.076 45.025 45.100 0.002 0.000 1.024 200 G HN 0.951 nan 8.290 nan 0.000 0.574 201 A N -1.292 121.616 122.820 0.146 0.000 2.568 201 A HA 0.588 4.902 4.320 -0.011 0.000 0.291 201 A C 0.142 177.910 177.584 0.307 0.000 1.159 201 A CA -0.029 52.149 52.037 0.236 0.000 0.679 201 A CB 0.994 20.118 19.000 0.207 0.000 1.285 201 A HN 0.817 nan 8.150 nan 0.000 0.428 202 N N -0.056 118.840 118.700 0.326 0.000 2.314 202 N HA 0.075 4.808 4.740 -0.011 0.000 0.200 202 N C 0.024 175.770 175.510 0.393 0.000 1.135 202 N CA 0.959 54.247 53.050 0.397 0.000 0.835 202 N CB 0.057 38.757 38.487 0.355 0.000 0.989 202 N HN 0.834 nan 8.380 nan 0.000 0.478 203 T N -3.779 110.829 114.554 0.091 0.000 2.906 203 T HA 0.440 4.784 4.350 -0.011 0.000 0.295 203 T C -2.578 171.507 174.700 -1.025 0.000 1.061 203 T CA -1.587 60.137 62.100 -0.627 0.000 1.000 203 T CB 3.001 71.388 68.868 -0.802 0.000 1.103 203 T HN -0.255 nan 8.240 nan 0.000 0.486 204 P HA 0.177 nan 4.420 nan 0.000 0.241 204 P C 0.526 177.309 177.300 -0.862 0.000 1.191 204 P CA 0.152 62.339 63.100 -1.522 0.000 0.771 204 P CB 0.007 30.735 31.700 -1.619 0.000 0.929 205 I N -4.440 115.593 120.570 -0.895 0.000 3.239 205 I HA 0.555 4.719 4.170 -0.011 0.000 0.314 205 I C -1.141 174.713 176.117 -0.439 0.000 1.126 205 I CA -1.896 59.037 61.300 -0.612 0.000 0.973 205 I CB 1.419 39.016 38.000 -0.672 0.000 1.252 205 I HN -0.243 nan 8.210 nan 0.000 0.463 206 F N 0.407 120.092 119.950 -0.442 0.000 2.594 206 F HA 0.496 5.022 4.527 -0.003 0.000 0.335 206 F C 0.334 175.929 175.800 -0.341 0.000 1.058 206 F CA -0.748 57.049 58.000 -0.338 0.000 0.981 206 F CB 1.930 40.843 39.000 -0.144 0.000 1.289 206 F HN 0.379 nan 8.300 nan 0.000 0.490 207 F N 2.277 121.395 119.950 -1.388 0.000 2.259 207 F HA 0.047 4.566 4.527 -0.013 0.000 0.298 207 F C 0.706 176.198 175.800 -0.513 0.000 1.088 207 F CA 0.773 58.186 58.000 -0.979 0.000 1.358 207 F CB -0.101 37.942 39.000 -1.595 0.000 1.040 207 F HN 0.139 nan 8.300 nan 0.000 0.505 208 I N -3.108 117.417 120.570 -0.075 0.000 2.957 208 I HA 0.363 4.526 4.170 -0.011 0.000 0.310 208 I C 0.415 176.682 176.117 0.250 0.000 1.063 208 I CA -0.831 60.558 61.300 0.148 0.000 1.033 208 I CB 1.857 40.007 38.000 0.250 0.000 1.230 208 I HN -0.120 nan 8.210 nan 0.000 0.447 209 Q N 0.456 120.400 119.800 0.240 0.000 2.259 209 Q HA 0.115 4.449 4.340 -0.011 0.000 0.201 209 Q C -0.215 175.950 176.000 0.274 0.000 0.938 209 Q CA 0.655 56.639 55.803 0.301 0.000 0.872 209 Q CB 0.366 29.343 28.738 0.399 0.000 0.971 209 Q HN 0.657 nan 8.270 nan 0.000 0.494 210 D N -0.970 119.564 120.400 0.223 0.000 2.256 210 D HA 0.314 4.947 4.640 -0.011 0.000 0.246 210 D C 0.074 176.500 176.300 0.209 0.000 1.042 210 D CA -0.214 53.889 54.000 0.173 0.000 0.841 210 D CB 1.825 42.698 40.800 0.121 0.000 1.223 210 D HN 0.049 nan 8.370 nan 0.000 0.470 211 A N 3.341 126.257 122.820 0.160 0.000 2.024 211 A HA -0.237 4.076 4.320 -0.011 0.000 0.220 211 A C 1.813 179.522 177.584 0.208 0.000 1.164 211 A CA 1.724 53.852 52.037 0.152 0.000 0.643 211 A CB -0.778 18.255 19.000 0.055 0.000 0.806 211 A HN 0.826 nan 8.150 nan 0.000 0.451 212 H N -0.003 119.130 119.070 0.104 0.000 2.457 212 H HA -0.009 4.545 4.556 -0.004 0.000 0.297 212 H C 1.544 176.950 175.328 0.130 0.000 1.092 212 H CA 1.871 57.973 56.048 0.090 0.000 1.309 212 H CB 0.061 29.851 29.762 0.047 0.000 1.382 212 H HN 0.388 nan 8.280 nan 0.000 0.535 213 K N -0.454 120.083 120.400 0.229 0.000 2.444 213 K HA -0.039 4.275 4.320 -0.011 0.000 0.193 213 K C 1.308 178.052 176.600 0.240 0.000 1.024 213 K CA -0.015 56.403 56.287 0.219 0.000 1.077 213 K CB 0.051 32.731 32.500 0.301 0.000 0.833 213 K HN 0.293 nan 8.250 nan 0.000 0.517 214 F N 3.147 123.159 119.950 0.102 0.000 2.069 214 F HA -0.156 4.349 4.527 -0.037 0.000 0.298 214 F C -1.017 174.802 175.800 0.032 0.000 1.113 214 F CA 1.464 59.546 58.000 0.136 0.000 1.214 214 F CB -0.530 38.539 39.000 0.115 0.000 0.978 214 F HN 0.023 nan 8.300 nan 0.000 0.474 215 P HA -0.148 nan 4.420 nan 0.000 0.218 215 P C 0.989 177.974 177.300 -0.525 0.000 1.148 215 P CA 1.812 64.674 63.100 -0.397 0.000 0.822 215 P CB -0.104 31.384 31.700 -0.353 0.000 0.784 216 D N -1.257 118.984 120.400 -0.265 0.000 2.097 216 D HA -0.149 4.484 4.640 -0.011 0.000 0.197 216 D C 1.831 177.852 176.300 -0.466 0.000 0.984 216 D CA 0.997 54.886 54.000 -0.186 0.000 0.826 216 D CB -0.847 40.021 40.800 0.115 0.000 0.973 216 D HN 0.161 nan 8.370 nan 0.000 0.460 217 F N 1.903 121.448 119.950 -0.674 0.000 2.102 217 F HA -0.231 4.284 4.527 -0.020 0.000 0.298 217 F C 2.271 177.682 175.800 -0.648 0.000 1.105 217 F CA 1.163 58.577 58.000 -0.977 0.000 1.239 217 F CB -0.205 38.450 39.000 -0.575 0.000 0.991 217 F HN -0.252 nan 8.300 nan 0.000 0.474 218 V N 0.337 119.840 119.914 -0.684 0.000 2.343 218 V HA -0.348 3.766 4.120 -0.011 0.000 0.247 218 V C 2.287 178.169 176.094 -0.354 0.000 1.051 218 V CA 2.473 64.411 62.300 -0.604 0.000 1.036 218 V CB -1.076 30.407 31.823 -0.566 0.000 0.654 218 V HN 0.483 nan 8.190 nan 0.000 0.451 219 H N -0.382 118.462 119.070 -0.377 0.000 2.387 219 H HA -0.103 4.449 4.556 -0.007 0.000 0.299 219 H C 2.330 177.516 175.328 -0.237 0.000 1.090 219 H CA 0.993 56.900 56.048 -0.234 0.000 1.332 219 H CB 0.061 29.733 29.762 -0.151 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.418 123.079 122.820 -0.265 0.000 1.898 220 A HA -0.115 4.198 4.320 -0.011 0.000 0.216 220 A C 2.505 179.931 177.584 -0.263 0.000 1.181 220 A CA 1.418 53.280 52.037 -0.293 0.000 0.620 220 A CB -0.725 17.977 19.000 -0.497 0.000 0.819 220 A HN 0.298 nan 8.150 nan 0.000 0.442 221 V N -0.201 119.441 119.914 -0.454 0.000 2.649 221 V HA -0.001 4.113 4.120 -0.011 0.000 0.248 221 V C 0.923 176.985 176.094 -0.054 0.000 1.054 221 V CA 0.812 62.914 62.300 -0.330 0.000 1.073 221 V CB -0.465 30.946 31.823 -0.687 0.000 0.699 221 V HN 0.340 nan 8.190 nan 0.000 0.463 222 K N 1.098 121.429 120.400 -0.115 0.000 2.234 222 K HA 0.168 4.481 4.320 -0.011 0.000 0.251 222 K C -2.292 174.267 176.600 -0.068 0.000 1.011 222 K CA -1.471 54.764 56.287 -0.086 0.000 0.889 222 K CB -0.457 31.986 32.500 -0.095 0.000 1.011 222 K HN 0.188 nan 8.250 nan 0.000 0.505 223 P HA -0.025 nan 4.420 nan 0.000 0.262 223 P C -0.558 176.687 177.300 -0.092 0.000 1.182 223 P CA 0.424 63.391 63.100 -0.222 0.000 0.761 223 P CB 0.265 31.841 31.700 -0.205 0.000 0.795 224 E N 5.732 125.926 120.200 -0.010 0.000 2.413 224 E HA -0.045 4.299 4.350 -0.011 0.000 0.263 224 E C -1.156 175.515 176.600 0.119 0.000 1.015 224 E CA -1.159 55.339 56.400 0.164 0.000 0.916 224 E CB 0.040 29.965 29.700 0.375 0.000 0.947 224 E HN 0.423 nan 8.360 nan 0.000 0.440 225 P HA -0.238 nan 4.420 nan 0.000 0.216 225 P C 1.064 178.436 177.300 0.121 0.000 1.150 225 P CA 1.585 64.731 63.100 0.077 0.000 0.837 225 P CB -0.044 31.682 31.700 0.043 0.000 0.786 226 H N -1.188 117.919 119.070 0.061 0.000 2.333 226 H HA -0.075 4.474 4.556 -0.012 0.000 0.302 226 H C 1.595 177.023 175.328 0.167 0.000 1.075 226 H CA 1.486 57.561 56.048 0.045 0.000 1.348 226 H CB -1.385 28.338 29.762 -0.064 0.000 1.393 226 H HN 0.319 nan 8.280 nan 0.000 0.509 227 W N 0.258 121.185 121.300 -0.622 0.000 2.870 227 W HA 0.689 5.341 4.660 -0.013 0.000 0.358 227 W C 0.437 176.787 176.519 -0.282 0.000 1.043 227 W CA -1.034 56.078 57.345 -0.387 0.000 1.692 227 W CB -0.716 28.493 29.460 -0.418 0.000 1.100 227 W HN 0.429 nan 8.180 nan 0.000 0.557 228 A N 1.431 124.223 122.820 -0.046 0.000 2.610 228 A HA -0.154 4.160 4.320 -0.011 0.000 0.299 228 A C -0.394 176.963 177.584 -0.378 0.000 1.487 228 A CA 1.456 53.391 52.037 -0.170 0.000 0.743 228 A CB -2.410 16.516 19.000 -0.123 0.000 1.070 228 A HN 0.467 nan 8.150 nan 0.000 0.439 229 I N 0.531 120.732 120.570 -0.616 0.000 2.647 229 I HA 0.547 4.711 4.170 -0.011 0.000 0.295 229 I C -2.505 173.313 176.117 -0.498 0.000 1.078 229 I CA -2.333 58.508 61.300 -0.765 0.000 1.048 229 I CB 2.985 40.035 38.000 -1.583 0.000 1.239 229 I HN 0.212 nan 8.210 nan 0.000 0.421 230 P HA 0.318 nan 4.420 nan 0.000 0.295 230 P C -1.547 175.582 177.300 -0.285 0.000 1.319 230 P CA -0.879 61.995 63.100 -0.378 0.000 0.940 230 P CB 1.745 33.299 31.700 -0.244 0.000 1.192 231 Q N 0.984 120.662 119.800 -0.202 0.000 2.286 231 Q HA 0.472 4.806 4.340 -0.011 0.000 0.257 231 Q C 1.141 177.096 176.000 -0.075 0.000 0.941 231 Q CA 1.055 56.777 55.803 -0.135 0.000 0.912 231 Q CB -0.363 28.306 28.738 -0.115 0.000 1.192 231 Q HN 0.819 nan 8.270 nan 0.000 0.410 232 G N 3.182 111.948 108.800 -0.056 0.000 2.225 232 G HA2 -0.302 3.651 3.960 -0.011 0.000 0.267 232 G HA3 -0.302 3.651 3.960 -0.011 0.000 0.267 232 G C -0.381 174.527 174.900 0.015 0.000 1.024 232 G CA 0.670 45.763 45.100 -0.013 0.000 0.784 232 G HN 0.552 nan 8.290 nan 0.000 0.507 233 Q N -1.176 118.621 119.800 -0.006 0.000 2.315 233 Q HA 0.560 4.894 4.340 -0.011 0.000 0.273 233 Q C 0.769 176.786 176.000 0.027 0.000 1.053 233 Q CA -0.122 55.709 55.803 0.047 0.000 0.817 233 Q CB 1.810 30.615 28.738 0.111 0.000 1.326 233 Q HN 0.442 nan 8.270 nan 0.000 0.423 234 S N -0.542 115.089 115.700 -0.114 0.000 2.575 234 S HA 0.202 4.666 4.470 -0.011 0.000 0.215 234 S C 0.889 175.447 174.600 -0.070 0.000 0.966 234 S CA -0.002 57.916 58.200 -0.471 0.000 0.911 234 S CB 0.367 62.790 63.200 -1.294 0.000 0.780 234 S HN 0.594 nan 8.310 nan 0.000 0.514 235 A N 2.377 125.343 122.820 0.242 0.000 3.048 235 A HA 0.497 4.810 4.320 -0.011 0.000 0.264 235 A C 0.120 177.950 177.584 0.411 0.000 1.796 235 A CA -0.511 51.748 52.037 0.370 0.000 1.445 235 A CB -1.338 17.817 19.000 0.258 0.000 1.074 235 A HN 0.906 nan 8.150 nan 0.000 0.621 236 H N -3.519 115.744 119.070 0.322 0.000 3.042 236 H HA 0.493 5.042 4.556 -0.013 0.000 0.346 236 H C -0.209 175.312 175.328 0.321 0.000 1.294 236 H CA -0.773 55.427 56.048 0.254 0.000 1.141 236 H CB 0.312 30.183 29.762 0.182 0.000 1.872 236 H HN 0.077 nan 8.280 nan 0.000 0.541 237 D N 0.407 120.974 120.400 0.279 0.000 2.126 237 D HA -0.243 4.390 4.640 -0.011 0.000 0.190 237 D C 2.197 178.556 176.300 0.098 0.000 1.001 237 D CA 3.333 57.436 54.000 0.171 0.000 0.841 237 D CB -0.470 40.410 40.800 0.133 0.000 0.949 237 D HN 0.798 nan 8.370 nan 0.000 0.446 238 T N -1.601 113.005 114.554 0.087 0.000 2.788 238 T HA -0.223 4.121 4.350 -0.011 0.000 0.268 238 T C 1.925 176.555 174.700 -0.118 0.000 1.044 238 T CA 0.918 63.032 62.100 0.023 0.000 1.139 238 T CB -0.758 68.172 68.868 0.104 0.000 0.867 238 T HN 0.165 nan 8.240 nan 0.000 0.454 239 F N 0.898 120.525 119.950 -0.539 0.000 2.051 239 F HA 0.046 4.564 4.527 -0.015 0.000 0.296 239 F C 1.962 177.484 175.800 -0.465 0.000 1.122 239 F CA 0.916 58.525 58.000 -0.652 0.000 1.201 239 F CB -0.717 37.704 39.000 -0.964 0.000 0.978 239 F HN 0.164 nan 8.300 nan 0.000 0.472 240 W N 0.668 121.879 121.300 -0.147 0.000 2.374 240 W HA -0.144 4.513 4.660 -0.004 0.000 0.288 240 W C 2.355 178.785 176.519 -0.149 0.000 1.218 240 W CA 1.116 58.367 57.345 -0.157 0.000 1.245 240 W CB -0.672 28.786 29.460 -0.004 0.000 1.126 240 W HN 0.108 nan 8.180 nan 0.000 0.545 241 D N -0.622 119.814 120.400 0.060 0.000 2.084 241 D HA -0.298 4.336 4.640 -0.011 0.000 0.194 241 D C 1.894 178.196 176.300 0.005 0.000 0.990 241 D CA 1.530 55.551 54.000 0.035 0.000 0.826 241 D CB -0.626 40.203 40.800 0.050 0.000 0.971 241 D HN 0.197 nan 8.370 nan 0.000 0.453 242 Y N 0.336 120.533 120.300 -0.172 0.000 2.165 242 Y HA -0.199 4.346 4.550 -0.008 0.000 0.286 242 Y C 2.227 177.997 175.900 -0.218 0.000 1.155 242 Y CA 1.499 59.488 58.100 -0.185 0.000 1.164 242 Y CB -0.353 37.970 38.460 -0.228 0.000 0.978 242 Y HN -0.094 nan 8.280 nan 0.000 0.513 243 V N 0.020 119.819 119.914 -0.191 0.000 2.295 243 V HA -0.322 3.792 4.120 -0.011 0.000 0.246 243 V C 2.634 178.675 176.094 -0.087 0.000 1.049 243 V CA 2.143 64.317 62.300 -0.210 0.000 1.024 243 V CB -1.177 30.395 31.823 -0.419 0.000 0.648 243 V HN 0.662 nan 8.190 nan 0.000 0.447 244 S N -0.066 115.628 115.700 -0.010 0.000 2.419 244 S HA -0.125 4.339 4.470 -0.011 0.000 0.235 244 S C 1.716 176.282 174.600 -0.056 0.000 1.019 244 S CA 1.609 59.820 58.200 0.018 0.000 0.982 244 S CB -0.494 62.741 63.200 0.058 0.000 0.789 244 S HN 0.558 nan 8.310 nan 0.000 0.490 245 L N -0.029 121.116 121.223 -0.130 0.000 2.585 245 L HA 0.329 4.663 4.340 -0.011 0.000 0.226 245 L C 0.485 177.189 176.870 -0.276 0.000 1.113 245 L CA 0.087 54.825 54.840 -0.170 0.000 0.876 245 L CB 0.071 42.035 42.059 -0.158 0.000 1.072 245 L HN 0.243 nan 8.230 nan 0.000 0.468 246 Q N 0.271 119.864 119.800 -0.344 0.000 2.891 246 Q HA 0.239 4.573 4.340 -0.011 0.000 0.242 246 Q C -1.952 173.834 176.000 -0.358 0.000 0.959 246 Q CA -1.515 54.041 55.803 -0.412 0.000 0.707 246 Q CB 1.600 29.980 28.738 -0.596 0.000 1.283 246 Q HN -0.039 nan 8.270 nan 0.000 0.480 247 P HA -0.220 nan 4.420 nan 0.000 0.223 247 P C 1.015 178.003 177.300 -0.521 0.000 1.144 247 P CA 1.145 63.972 63.100 -0.454 0.000 0.783 247 P CB 0.267 31.647 31.700 -0.534 0.000 0.771 248 E N 0.589 120.392 120.200 -0.662 0.000 2.204 248 E HA -0.170 4.174 4.350 -0.011 0.000 0.195 248 E C 1.473 178.045 176.600 -0.048 0.000 0.990 248 E CA 1.842 58.127 56.400 -0.192 0.000 0.821 248 E CB -1.249 28.412 29.700 -0.065 0.000 0.750 248 E HN 0.290 nan 8.360 nan 0.000 0.477 249 T N -0.500 114.022 114.554 -0.053 0.000 2.995 249 T HA 0.002 4.345 4.350 -0.011 0.000 0.269 249 T C 2.008 176.778 174.700 0.117 0.000 1.091 249 T CA 0.533 62.664 62.100 0.051 0.000 1.128 249 T CB -0.384 68.549 68.868 0.107 0.000 0.891 249 T HN 0.139 nan 8.240 nan 0.000 0.492 250 L N 0.300 121.596 121.223 0.121 0.000 2.043 250 L HA -0.148 4.186 4.340 -0.011 0.000 0.212 250 L C 2.859 179.891 176.870 0.270 0.000 1.075 250 L CA 2.129 57.110 54.840 0.234 0.000 0.752 250 L CB -0.945 41.263 42.059 0.249 0.000 0.891 250 L HN 0.451 nan 8.230 nan 0.000 0.432 251 H N 0.065 119.180 119.070 0.076 0.000 2.265 251 H HA -0.240 4.310 4.556 -0.010 0.000 0.295 251 H C 2.219 177.535 175.328 -0.020 0.000 1.084 251 H CA 1.993 58.079 56.048 0.063 0.000 1.261 251 H CB 0.127 29.888 29.762 -0.002 0.000 1.360 251 H HN 0.384 nan 8.280 nan 0.000 0.487 252 N N -0.229 118.278 118.700 -0.321 0.000 2.309 252 N HA -0.127 4.607 4.740 -0.011 0.000 0.182 252 N C 1.947 177.218 175.510 -0.398 0.000 1.018 252 N CA 0.690 53.306 53.050 -0.725 0.000 0.876 252 N CB 0.259 37.837 38.487 -1.516 0.000 0.972 252 N HN 0.123 nan 8.380 nan 0.000 0.434 253 V N 1.656 121.578 119.914 0.013 0.000 2.343 253 V HA -0.251 3.863 4.120 -0.011 0.000 0.247 253 V C 2.488 178.716 176.094 0.223 0.000 1.051 253 V CA 1.264 63.754 62.300 0.316 0.000 1.036 253 V CB -0.342 31.742 31.823 0.435 0.000 0.654 253 V HN 0.397 nan 8.190 nan 0.000 0.451 254 M N -1.621 118.146 119.600 0.279 0.000 2.080 254 M HA -0.227 4.247 4.480 -0.011 0.000 0.260 254 M C 2.101 178.396 176.300 -0.009 0.000 1.068 254 M CA 1.979 57.447 55.300 0.279 0.000 1.109 254 M CB -1.226 31.568 32.600 0.324 0.000 1.342 254 M HN 0.467 nan 8.290 nan 0.000 0.405 255 W N 0.565 121.584 121.300 -0.469 0.000 2.338 255 W HA -0.115 4.542 4.660 -0.007 0.000 0.304 255 W C 2.808 179.258 176.519 -0.115 0.000 1.212 255 W CA 1.890 58.952 57.345 -0.471 0.000 1.264 255 W CB -1.034 28.084 29.460 -0.571 0.000 1.142 255 W HN 0.298 nan 8.180 nan 0.000 0.512 256 A N -0.813 122.086 122.820 0.131 0.000 2.019 256 A HA -0.164 4.149 4.320 -0.011 0.000 0.219 256 A C 1.897 179.534 177.584 0.089 0.000 1.164 256 A CA 1.544 53.664 52.037 0.138 0.000 0.644 256 A CB -0.498 18.618 19.000 0.193 0.000 0.805 256 A HN 0.108 nan 8.150 nan 0.000 0.449 257 M N 0.388 120.006 119.600 0.030 0.000 2.541 257 M HA 0.056 4.530 4.480 -0.011 0.000 0.252 257 M C 1.364 177.725 176.300 0.101 0.000 1.125 257 M CA 0.601 55.867 55.300 -0.057 0.000 1.091 257 M CB -1.191 31.149 32.600 -0.434 0.000 1.420 257 M HN 0.527 nan 8.290 nan 0.000 0.486 258 S N 0.088 115.901 115.700 0.187 0.000 2.655 258 S HA 0.133 4.597 4.470 -0.011 0.000 0.265 258 S C 0.703 175.438 174.600 0.226 0.000 1.240 258 S CA -0.476 57.872 58.200 0.246 0.000 0.986 258 S CB 1.071 64.461 63.200 0.317 0.000 0.985 258 S HN 0.175 nan 8.310 nan 0.000 0.562 259 D N 0.240 120.794 120.400 0.256 0.000 2.378 259 D HA 0.012 4.645 4.640 -0.011 0.000 0.222 259 D C 1.799 178.248 176.300 0.248 0.000 0.980 259 D CA 0.352 54.522 54.000 0.282 0.000 0.907 259 D CB -0.145 40.891 40.800 0.393 0.000 0.899 259 D HN 0.362 nan 8.370 nan 0.000 0.527 260 R N 0.224 120.863 120.500 0.232 0.000 2.120 260 R HA -0.034 4.300 4.340 -0.011 0.000 0.234 260 R C 2.109 178.568 176.300 0.264 0.000 1.123 260 R CA 0.961 57.220 56.100 0.265 0.000 0.975 260 R CB -0.863 29.651 30.300 0.358 0.000 0.866 260 R HN 0.202 nan 8.270 nan 0.000 0.446 261 G N 1.169 110.112 108.800 0.238 0.000 2.679 261 G HA2 -0.040 3.914 3.960 -0.011 0.000 0.212 261 G HA3 -0.040 3.914 3.960 -0.011 0.000 0.212 261 G C 0.983 176.027 174.900 0.240 0.000 1.137 261 G CA 0.162 45.395 45.100 0.222 0.000 0.787 261 G HN 0.417 nan 8.290 nan 0.000 0.534 262 I N -2.025 118.696 120.570 0.252 0.000 2.926 262 I HA 0.359 4.522 4.170 -0.011 0.000 0.295 262 I C -2.838 173.435 176.117 0.260 0.000 1.463 262 I CA -2.680 58.775 61.300 0.259 0.000 0.892 262 I CB 1.778 39.931 38.000 0.255 0.000 1.874 262 I HN -0.270 nan 8.210 nan 0.000 0.620 263 P HA 0.038 nan 4.420 nan 0.000 0.268 263 P C 0.614 178.060 177.300 0.243 0.000 1.205 263 P CA -0.091 63.122 63.100 0.188 0.000 0.771 263 P CB 1.215 32.962 31.700 0.079 0.000 0.858 264 R N 2.573 123.199 120.500 0.209 0.000 2.096 264 R HA -0.041 4.293 4.340 -0.011 0.000 0.235 264 R C 0.515 176.973 176.300 0.264 0.000 1.127 264 R CA 1.803 58.072 56.100 0.281 0.000 0.968 264 R CB -0.497 29.941 30.300 0.229 0.000 0.861 264 R HN 0.591 nan 8.270 nan 0.000 0.440 265 S N -3.172 112.485 115.700 -0.072 0.000 2.587 265 S HA 0.211 4.675 4.470 -0.011 0.000 0.269 265 S C -0.188 174.120 174.600 -0.487 0.000 1.154 265 S CA -0.844 57.123 58.200 -0.389 0.000 0.824 265 S CB -0.008 63.105 63.200 -0.145 0.000 1.118 265 S HN 0.092 nan 8.310 nan 0.000 0.462 266 Y N 1.784 121.732 120.300 -0.587 0.000 2.421 266 Y HA 0.112 4.657 4.550 -0.009 0.000 0.292 266 Y C 2.470 178.047 175.900 -0.538 0.000 1.136 266 Y CA 1.100 58.722 58.100 -0.798 0.000 1.255 266 Y CB -0.398 37.205 38.460 -1.430 0.000 0.991 266 Y HN 0.566 nan 8.280 nan 0.000 0.552 267 R N -0.542 119.845 120.500 -0.189 0.000 2.148 267 R HA -0.050 4.284 4.340 -0.011 0.000 0.223 267 R C 1.155 177.424 176.300 -0.051 0.000 1.088 267 R CA 1.570 57.605 56.100 -0.108 0.000 0.985 267 R CB -0.447 29.786 30.300 -0.112 0.000 0.880 267 R HN 0.334 nan 8.270 nan 0.000 0.451 268 T N -1.494 113.044 114.554 -0.026 0.000 3.268 268 T HA 0.361 4.705 4.350 -0.011 0.000 0.258 268 T C 0.233 174.979 174.700 0.077 0.000 0.966 268 T CA -0.647 61.466 62.100 0.021 0.000 0.952 268 T CB -0.148 68.719 68.868 -0.002 0.000 1.132 268 T HN 0.079 nan 8.240 nan 0.000 0.536 269 M N -1.246 118.444 119.600 0.149 0.000 2.658 269 M HA 0.739 5.212 4.480 -0.011 0.000 0.295 269 M C -1.172 175.315 176.300 0.312 0.000 1.248 269 M CA -0.942 54.485 55.300 0.212 0.000 0.843 269 M CB 2.086 34.806 32.600 0.201 0.000 1.749 269 M HN -0.141 nan 8.290 nan 0.000 0.464 270 E N 0.204 120.588 120.200 0.306 0.000 2.314 270 E HA 0.674 5.018 4.350 -0.011 0.000 0.262 270 E C -0.405 176.299 176.600 0.172 0.000 1.093 270 E CA -0.723 55.803 56.400 0.210 0.000 0.908 270 E CB 1.793 31.556 29.700 0.105 0.000 1.091 270 E HN 0.862 nan 8.360 nan 0.000 0.425 271 G N 0.877 109.598 108.800 -0.131 0.000 2.542 271 G HA2 0.609 4.563 3.960 -0.011 0.000 0.311 271 G HA3 0.609 4.563 3.960 -0.011 0.000 0.311 271 G C -1.448 173.065 174.900 -0.644 0.000 1.298 271 G CA -0.420 44.556 45.100 -0.207 0.000 0.973 271 G HN 0.263 nan 8.290 nan 0.000 0.487 272 F N 0.043 119.924 119.950 -0.116 0.000 2.599 272 F HA 0.544 5.064 4.527 -0.013 0.000 0.311 272 F C 1.113 176.824 175.800 -0.148 0.000 1.076 272 F CA -0.544 57.313 58.000 -0.238 0.000 0.937 272 F CB 2.636 41.443 39.000 -0.320 0.000 1.282 272 F HN 0.572 nan 8.300 nan 0.000 0.460 273 G N 0.503 109.364 108.800 0.102 0.000 2.683 273 G HA2 0.181 4.134 3.960 -0.011 0.000 0.213 273 G HA3 0.181 4.134 3.960 -0.011 0.000 0.213 273 G C 1.145 176.102 174.900 0.095 0.000 1.142 273 G CA 0.729 45.948 45.100 0.199 0.000 0.793 273 G HN 0.777 nan 8.290 nan 0.000 0.534 274 I N -0.952 119.591 120.570 -0.044 0.000 4.713 274 I HA -0.314 3.850 4.170 -0.011 0.000 0.044 274 I C 0.432 176.387 176.117 -0.269 0.000 0.627 274 I CA 1.478 62.617 61.300 -0.269 0.000 0.714 274 I CB -1.248 36.480 38.000 -0.453 0.000 0.668 274 I HN 0.249 nan 8.210 nan 0.000 0.156 275 H N 2.403 121.475 119.070 0.003 0.000 2.690 275 H HA 0.230 4.779 4.556 -0.011 0.000 0.365 275 H C 0.064 175.315 175.328 -0.127 0.000 1.142 275 H CA 0.440 56.401 56.048 -0.146 0.000 1.417 275 H CB 0.406 29.909 29.762 -0.432 0.000 1.446 275 H HN 0.193 nan 8.280 nan 0.000 0.599 276 T N 4.335 118.847 114.554 -0.069 0.000 2.779 276 T HA 0.193 4.536 4.350 -0.011 0.000 0.296 276 T C 0.343 174.982 174.700 -0.101 0.000 0.938 276 T CA 0.102 62.150 62.100 -0.086 0.000 1.119 276 T CB -0.261 68.502 68.868 -0.176 0.000 0.891 276 T HN 0.251 nan 8.240 nan 0.000 0.526 277 F N 1.595 121.498 119.950 -0.079 0.000 2.561 277 F HA 0.671 5.190 4.527 -0.015 0.000 0.384 277 F C 1.125 176.887 175.800 -0.064 0.000 1.131 277 F CA -1.278 56.709 58.000 -0.022 0.000 1.133 277 F CB 1.196 40.191 39.000 -0.009 0.000 1.506 277 F HN 0.171 nan 8.300 nan 0.000 0.499 278 R N 0.424 120.995 120.500 0.118 0.000 2.744 278 R HA 0.611 4.945 4.340 -0.011 0.000 0.279 278 R C -1.739 174.465 176.300 -0.160 0.000 0.977 278 R CA -0.892 55.147 56.100 -0.101 0.000 0.906 278 R CB 2.168 32.342 30.300 -0.211 0.000 1.197 278 R HN 0.411 nan 8.270 nan 0.000 0.463 279 L N 3.613 124.694 121.223 -0.236 0.000 2.317 279 L HA 0.539 4.873 4.340 -0.011 0.000 0.281 279 L C -0.555 176.183 176.870 -0.219 0.000 1.024 279 L CA -0.944 53.764 54.840 -0.220 0.000 0.810 279 L CB 1.433 43.363 42.059 -0.216 0.000 1.240 279 L HN 0.383 nan 8.230 nan 0.000 0.427 280 I N 3.034 123.500 120.570 -0.173 0.000 2.418 280 I HA 0.270 4.434 4.170 -0.011 0.000 0.287 280 I C -0.145 175.907 176.117 -0.109 0.000 1.008 280 I CA -0.713 60.497 61.300 -0.150 0.000 1.104 280 I CB 1.346 39.268 38.000 -0.129 0.000 1.264 280 I HN 0.613 nan 8.210 nan 0.000 0.438 281 N N 5.050 123.695 118.700 -0.090 0.000 2.476 281 N HA 0.386 5.119 4.740 -0.011 0.000 0.287 281 N C 0.852 176.331 175.510 -0.052 0.000 1.262 281 N CA -0.298 52.712 53.050 -0.066 0.000 0.980 281 N CB 0.515 38.968 38.487 -0.056 0.000 1.163 281 N HN 0.506 nan 8.380 nan 0.000 0.592 282 A N -0.641 122.154 122.820 -0.040 0.000 2.015 282 A HA -0.126 4.188 4.320 -0.011 0.000 0.219 282 A C 1.648 179.215 177.584 -0.028 0.000 1.163 282 A CA 1.340 53.358 52.037 -0.032 0.000 0.646 282 A CB -0.917 18.069 19.000 -0.024 0.000 0.806 282 A HN 0.835 nan 8.150 nan 0.000 0.448 283 E N -1.253 118.932 120.200 -0.025 0.000 2.274 283 E HA 0.258 4.601 4.350 -0.011 0.000 0.194 283 E C 1.143 177.735 176.600 -0.014 0.000 0.996 283 E CA 0.493 56.882 56.400 -0.019 0.000 0.840 283 E CB -0.219 29.471 29.700 -0.016 0.000 0.772 283 E HN 0.764 nan 8.360 nan 0.000 0.491 284 G N 1.724 110.516 108.800 -0.014 0.000 2.141 284 G HA2 -0.290 3.664 3.960 -0.011 0.000 0.195 284 G HA3 -0.290 3.664 3.960 -0.011 0.000 0.195 284 G C -0.072 174.864 174.900 0.061 0.000 1.012 284 G CA 0.064 45.172 45.100 0.014 0.000 0.696 284 G HN 0.244 nan 8.290 nan 0.000 0.508 285 K N 0.415 120.815 120.400 0.001 0.000 2.172 285 K HA 0.756 5.070 4.320 -0.011 0.000 0.276 285 K C 0.399 176.910 176.600 -0.148 0.000 1.013 285 K CA 0.032 56.303 56.287 -0.027 0.000 0.913 285 K CB 1.082 33.554 32.500 -0.046 0.000 1.055 285 K HN 0.669 nan 8.250 nan 0.000 0.461 286 A N 3.107 125.739 122.820 -0.314 0.000 2.301 286 A HA 0.445 4.759 4.320 -0.011 0.000 0.312 286 A C -0.803 176.478 177.584 -0.505 0.000 1.182 286 A CA -0.545 51.131 52.037 -0.602 0.000 0.826 286 A CB 1.114 19.319 19.000 -1.324 0.000 1.134 286 A HN 0.746 nan 8.150 nan 0.000 0.501 287 T N 2.310 116.603 114.554 -0.435 0.000 2.824 287 T HA 0.536 4.880 4.350 -0.011 0.000 0.282 287 T C -0.721 173.768 174.700 -0.352 0.000 0.993 287 T CA -0.090 61.802 62.100 -0.347 0.000 0.967 287 T CB 0.467 69.222 68.868 -0.187 0.000 0.960 287 T HN 0.335 nan 8.240 nan 0.000 0.441 288 F N 2.198 122.046 119.950 -0.170 0.000 2.443 288 F HA 0.546 5.065 4.527 -0.012 0.000 0.353 288 F C 0.526 176.202 175.800 -0.205 0.000 1.101 288 F CA -0.504 57.391 58.000 -0.176 0.000 1.226 288 F CB 0.771 39.687 39.000 -0.141 0.000 1.140 288 F HN 0.189 nan 8.300 nan 0.000 0.557 289 V N 4.910 124.777 119.914 -0.077 0.000 2.925 289 V HA 0.637 4.750 4.120 -0.011 0.000 0.311 289 V C -1.057 174.793 176.094 -0.406 0.000 1.104 289 V CA -0.782 61.323 62.300 -0.325 0.000 0.954 289 V CB 2.276 33.699 31.823 -0.667 0.000 1.022 289 V HN 0.771 nan 8.190 nan 0.000 0.427 290 R N 4.470 124.761 120.500 -0.347 0.000 2.561 290 R HA 0.551 4.884 4.340 -0.011 0.000 0.297 290 R C -1.690 174.494 176.300 -0.194 0.000 0.969 290 R CA -0.451 55.499 56.100 -0.250 0.000 0.879 290 R CB 2.078 32.363 30.300 -0.025 0.000 1.178 290 R HN 0.591 nan 8.270 nan 0.000 0.445 291 F N 2.108 122.089 119.950 0.052 0.000 2.385 291 F HA 0.376 4.895 4.527 -0.013 0.000 0.336 291 F C 0.957 176.687 175.800 -0.118 0.000 1.100 291 F CA -0.050 57.940 58.000 -0.017 0.000 1.116 291 F CB 0.862 39.757 39.000 -0.175 0.000 1.166 291 F HN 0.196 nan 8.300 nan 0.000 0.511 292 H N 0.848 119.883 119.070 -0.059 0.000 2.806 292 H HA 0.212 4.762 4.556 -0.009 0.000 0.367 292 H C -1.641 173.420 175.328 -0.446 0.000 1.136 292 H CA -1.000 54.898 56.048 -0.250 0.000 1.178 292 H CB 1.913 31.626 29.762 -0.082 0.000 1.718 292 H HN 0.694 nan 8.280 nan 0.000 0.540 293 W N 2.871 124.048 121.300 -0.206 0.000 2.411 293 W HA 0.309 4.960 4.660 -0.014 0.000 0.317 293 W C -0.046 176.487 176.519 0.024 0.000 1.030 293 W CA -0.712 56.553 57.345 -0.132 0.000 1.239 293 W CB 1.581 30.752 29.460 -0.483 0.000 1.304 293 W HN 0.233 nan 8.180 nan 0.000 0.437 294 K N 6.031 126.687 120.400 0.426 0.000 2.240 294 K HA 0.358 4.672 4.320 -0.011 0.000 0.271 294 K C -2.388 174.442 176.600 0.383 0.000 1.018 294 K CA -1.917 54.565 56.287 0.325 0.000 0.874 294 K CB 1.445 34.083 32.500 0.230 0.000 1.098 294 K HN 0.047 nan 8.250 nan 0.000 0.458 295 P HA 0.045 nan 4.420 nan 0.000 0.276 295 P C 0.372 177.696 177.300 0.040 0.000 1.264 295 P CA -0.033 63.145 63.100 0.129 0.000 0.769 295 P CB 0.683 32.477 31.700 0.157 0.000 0.840 296 L N 2.775 123.974 121.223 -0.040 0.000 2.465 296 L HA -0.054 4.280 4.340 -0.011 0.000 0.224 296 L C 2.227 179.090 176.870 -0.013 0.000 1.145 296 L CA 0.999 55.843 54.840 0.006 0.000 0.834 296 L CB -0.575 41.496 42.059 0.021 0.000 0.944 296 L HN 0.329 nan 8.230 nan 0.000 0.451 297 A N 0.052 122.838 122.820 -0.057 0.000 2.208 297 A HA 0.392 4.705 4.320 -0.011 0.000 0.209 297 A C 1.291 178.878 177.584 0.006 0.000 1.161 297 A CA 0.714 52.731 52.037 -0.033 0.000 0.782 297 A CB -0.385 18.576 19.000 -0.065 0.000 0.816 297 A HN 0.456 nan 8.150 nan 0.000 0.477 298 G N -0.701 108.116 108.800 0.029 0.000 2.756 298 G HA2 -0.130 3.823 3.960 -0.011 0.000 0.678 298 G HA3 -0.130 3.823 3.960 -0.011 0.000 0.678 298 G C -0.660 174.274 174.900 0.056 0.000 1.349 298 G CA -0.387 44.748 45.100 0.058 0.000 0.847 298 G HN 0.481 nan 8.290 nan 0.000 0.548 299 K N 0.135 120.572 120.400 0.061 0.000 2.183 299 K HA 0.731 5.045 4.320 -0.011 0.000 0.274 299 K C 0.192 176.786 176.600 -0.011 0.000 1.009 299 K CA 0.181 56.487 56.287 0.031 0.000 0.888 299 K CB 1.832 34.339 32.500 0.012 0.000 1.078 299 K HN 1.451 nan 8.250 nan 0.000 0.459 300 A N 1.727 124.530 122.820 -0.029 0.000 2.540 300 A HA 0.612 4.925 4.320 -0.011 0.000 0.297 300 A C -1.149 176.480 177.584 0.075 0.000 1.056 300 A CA -0.684 51.288 52.037 -0.107 0.000 0.700 300 A CB 1.742 20.474 19.000 -0.446 0.000 1.280 300 A HN 0.503 nan 8.150 nan 0.000 0.398 301 S N 0.567 116.467 115.700 0.334 0.000 2.599 301 S HA 0.737 5.201 4.470 -0.011 0.000 0.287 301 S C -0.033 174.882 174.600 0.525 0.000 1.105 301 S CA -0.589 57.845 58.200 0.389 0.000 0.899 301 S CB 1.220 64.639 63.200 0.365 0.000 1.100 301 S HN 0.649 nan 8.310 nan 0.000 0.482 302 L N 1.286 122.708 121.223 0.332 0.000 2.540 302 L HA 0.519 4.853 4.340 -0.011 0.000 0.215 302 L C -0.012 176.967 176.870 0.182 0.000 1.204 302 L CA -0.720 54.237 54.840 0.195 0.000 0.841 302 L CB 0.073 42.153 42.059 0.035 0.000 1.420 302 L HN 0.477 nan 8.230 nan 0.000 0.519 303 V N -3.326 116.590 119.914 0.003 0.000 2.667 303 V HA 0.170 4.284 4.120 -0.011 0.000 0.308 303 V C 0.666 176.692 176.094 -0.113 0.000 1.048 303 V CA -0.870 61.398 62.300 -0.053 0.000 0.928 303 V CB 1.533 33.287 31.823 -0.115 0.000 1.004 303 V HN 0.922 nan 8.190 nan 0.000 0.444 304 W N 2.284 123.444 121.300 -0.233 0.000 2.302 304 W HA -0.280 4.373 4.660 -0.012 0.000 0.320 304 W C 1.765 178.124 176.519 -0.267 0.000 1.241 304 W CA 2.759 59.963 57.345 -0.235 0.000 1.264 304 W CB -0.106 29.202 29.460 -0.253 0.000 1.154 304 W HN 1.004 nan 8.180 nan 0.000 0.483 305 D N 0.084 120.176 120.400 -0.513 0.000 2.123 305 D HA -0.294 4.340 4.640 -0.011 0.000 0.196 305 D C 2.194 178.122 176.300 -0.619 0.000 0.992 305 D CA 2.173 55.845 54.000 -0.547 0.000 0.833 305 D CB -0.526 40.207 40.800 -0.111 0.000 0.954 305 D HN 0.407 nan 8.370 nan 0.000 0.455 306 E N -0.303 119.385 120.200 -0.853 0.000 2.072 306 E HA -0.201 4.142 4.350 -0.011 0.000 0.191 306 E C 1.994 178.250 176.600 -0.572 0.000 0.985 306 E CA 1.051 56.911 56.400 -0.900 0.000 0.801 306 E CB -0.203 28.847 29.700 -1.083 0.000 0.750 306 E HN 0.308 nan 8.360 nan 0.000 0.452 307 A N 1.233 123.731 122.820 -0.536 0.000 1.877 307 A HA -0.255 4.059 4.320 -0.011 0.000 0.216 307 A C 2.202 179.453 177.584 -0.556 0.000 1.186 307 A CA 1.782 53.548 52.037 -0.452 0.000 0.620 307 A CB -0.723 18.105 19.000 -0.286 0.000 0.822 307 A HN 0.439 nan 8.150 nan 0.000 0.443 308 Q N -0.578 118.693 119.800 -0.881 0.000 2.079 308 Q HA -0.197 4.136 4.340 -0.011 0.000 0.200 308 Q C 2.122 177.858 176.000 -0.440 0.000 0.974 308 Q CA 1.923 57.247 55.803 -0.798 0.000 0.840 308 Q CB -0.117 27.929 28.738 -1.153 0.000 0.898 308 Q HN 0.670 nan 8.270 nan 0.000 0.430 309 K N -0.209 119.950 120.400 -0.400 0.000 2.217 309 K HA -0.121 4.192 4.320 -0.011 0.000 0.202 309 K C 1.905 178.367 176.600 -0.229 0.000 1.051 309 K CA 0.466 56.608 56.287 -0.241 0.000 0.952 309 K CB 0.016 32.422 32.500 -0.156 0.000 0.736 309 K HN 0.152 nan 8.250 nan 0.000 0.453 310 L N 1.256 122.298 121.223 -0.303 0.000 2.201 310 L HA -0.110 4.224 4.340 -0.011 0.000 0.212 310 L C 2.126 178.860 176.870 -0.227 0.000 1.105 310 L CA 2.077 56.731 54.840 -0.309 0.000 0.775 310 L CB -0.787 40.992 42.059 -0.467 0.000 0.913 310 L HN 0.405 nan 8.230 nan 0.000 0.440 311 T N -4.380 110.046 114.554 -0.214 0.000 2.833 311 T HA -0.090 4.253 4.350 -0.011 0.000 0.269 311 T C 1.867 176.505 174.700 -0.105 0.000 1.054 311 T CA 1.059 63.074 62.100 -0.142 0.000 1.135 311 T CB -1.005 67.792 68.868 -0.118 0.000 0.869 311 T HN 0.362 nan 8.240 nan 0.000 0.466 312 G N 1.104 109.837 108.800 -0.112 0.000 2.441 312 G HA2 -0.007 3.947 3.960 -0.011 0.000 0.212 312 G HA3 -0.007 3.947 3.960 -0.011 0.000 0.212 312 G C 1.898 176.757 174.900 -0.069 0.000 1.164 312 G CA -0.244 44.808 45.100 -0.080 0.000 0.811 312 G HN 0.300 nan 8.290 nan 0.000 0.535 313 R N 0.286 120.737 120.500 -0.083 0.000 2.090 313 R HA 0.051 4.385 4.340 -0.011 0.000 0.228 313 R C -0.148 176.130 176.300 -0.037 0.000 1.110 313 R CA 0.787 56.852 56.100 -0.059 0.000 0.973 313 R CB -0.263 29.996 30.300 -0.068 0.000 0.869 313 R HN 0.345 nan 8.270 nan 0.000 0.440 314 D N -0.625 119.748 120.400 -0.044 0.000 2.445 314 D HA 0.149 4.783 4.640 -0.011 0.000 0.236 314 D C -2.174 174.130 176.300 0.006 0.000 1.315 314 D CA -1.737 52.268 54.000 0.008 0.000 0.924 314 D CB 1.322 42.176 40.800 0.089 0.000 1.447 314 D HN -0.160 nan 8.370 nan 0.000 0.532 315 P HA 0.012 nan 4.420 nan 0.000 0.228 315 P C 0.065 177.368 177.300 0.005 0.000 1.151 315 P CA 0.703 63.791 63.100 -0.020 0.000 0.770 315 P CB 0.446 32.131 31.700 -0.026 0.000 0.786 316 D N -1.681 118.734 120.400 0.024 0.000 2.463 316 D HA 0.083 4.717 4.640 -0.011 0.000 0.224 316 D C 1.195 177.524 176.300 0.048 0.000 1.174 316 D CA -0.464 53.553 54.000 0.029 0.000 0.829 316 D CB -0.527 40.268 40.800 -0.008 0.000 0.993 316 D HN 0.103 nan 8.370 nan 0.000 0.497 317 F N 1.399 121.290 119.950 -0.097 0.000 2.091 317 F HA -0.261 4.259 4.527 -0.011 0.000 0.299 317 F C 2.098 177.870 175.800 -0.047 0.000 1.103 317 F CA 1.935 59.872 58.000 -0.105 0.000 1.228 317 F CB 0.045 38.930 39.000 -0.190 0.000 0.984 317 F HN 0.114 nan 8.300 nan 0.000 0.477 318 H N -1.212 117.766 119.070 -0.153 0.000 2.363 318 H HA -0.095 4.454 4.556 -0.011 0.000 0.301 318 H C 2.395 177.605 175.328 -0.197 0.000 1.074 318 H CA 0.941 56.756 56.048 -0.389 0.000 1.354 318 H CB -0.121 29.248 29.762 -0.655 0.000 1.397 318 H HN 0.179 nan 8.280 nan 0.000 0.516 319 R N 1.234 121.821 120.500 0.146 0.000 2.081 319 R HA -0.131 4.202 4.340 -0.011 0.000 0.235 319 R C 2.444 178.840 176.300 0.159 0.000 1.131 319 R CA 1.319 57.558 56.100 0.232 0.000 0.960 319 R CB -0.034 30.393 30.300 0.211 0.000 0.856 319 R HN 0.193 nan 8.270 nan 0.000 0.436 320 R N 0.363 120.878 120.500 0.024 0.000 2.075 320 R HA -0.193 4.141 4.340 -0.011 0.000 0.232 320 R C 2.150 178.441 176.300 -0.015 0.000 1.126 320 R CA 2.011 58.109 56.100 -0.003 0.000 0.963 320 R CB -0.190 30.070 30.300 -0.067 0.000 0.858 320 R HN 0.264 nan 8.270 nan 0.000 0.435 321 E N 0.693 120.778 120.200 -0.193 0.000 2.051 321 E HA -0.219 4.124 4.350 -0.011 0.000 0.192 321 E C 1.897 178.470 176.600 -0.046 0.000 0.991 321 E CA 1.402 57.668 56.400 -0.223 0.000 0.799 321 E CB -0.435 28.963 29.700 -0.503 0.000 0.748 321 E HN 0.313 nan 8.360 nan 0.000 0.449 322 L N 0.161 121.400 121.223 0.028 0.000 1.994 322 L HA -0.097 4.236 4.340 -0.011 0.000 0.208 322 L C 2.264 179.234 176.870 0.167 0.000 1.071 322 L CA 2.180 57.088 54.840 0.113 0.000 0.745 322 L CB -0.993 41.200 42.059 0.223 0.000 0.892 322 L HN 0.433 nan 8.230 nan 0.000 0.431 323 W N 0.905 122.241 121.300 0.060 0.000 2.335 323 W HA -0.231 4.421 4.660 -0.013 0.000 0.311 323 W C 2.234 178.782 176.519 0.048 0.000 1.213 323 W CA 2.245 59.635 57.345 0.074 0.000 1.274 323 W CB -0.158 29.348 29.460 0.077 0.000 1.148 323 W HN 0.361 nan 8.180 nan 0.000 0.498 324 E N -0.237 120.140 120.200 0.294 0.000 2.208 324 E HA -0.111 4.233 4.350 -0.011 0.000 0.193 324 E C 2.311 178.944 176.600 0.055 0.000 0.988 324 E CA 0.922 57.417 56.400 0.158 0.000 0.828 324 E CB -0.238 29.503 29.700 0.069 0.000 0.763 324 E HN 0.193 nan 8.360 nan 0.000 0.478 325 A N 1.119 123.969 122.820 0.049 0.000 1.897 325 A HA -0.125 4.188 4.320 -0.011 0.000 0.215 325 A C 2.116 179.739 177.584 0.064 0.000 1.181 325 A CA 0.838 52.900 52.037 0.042 0.000 0.620 325 A CB -0.411 18.615 19.000 0.043 0.000 0.821 325 A HN 0.122 nan 8.150 nan 0.000 0.443 326 I N -0.440 120.182 120.570 0.087 0.000 2.315 326 I HA -0.217 3.947 4.170 -0.011 0.000 0.248 326 I C 2.375 178.568 176.117 0.126 0.000 1.117 326 I CA 1.294 62.693 61.300 0.166 0.000 1.404 326 I CB -0.341 37.670 38.000 0.017 0.000 1.071 326 I HN 0.420 nan 8.210 nan 0.000 0.419 327 E N 0.771 120.991 120.200 0.034 0.000 2.208 327 E HA -0.114 4.230 4.350 -0.011 0.000 0.193 327 E C 2.098 178.723 176.600 0.041 0.000 0.988 327 E CA 1.013 57.444 56.400 0.052 0.000 0.828 327 E CB 0.004 29.764 29.700 0.099 0.000 0.763 327 E HN 0.476 nan 8.360 nan 0.000 0.478 328 A N 0.066 122.890 122.820 0.006 0.000 2.218 328 A HA 0.250 4.563 4.320 -0.011 0.000 0.209 328 A C 1.662 179.199 177.584 -0.079 0.000 1.168 328 A CA 0.833 52.856 52.037 -0.023 0.000 0.804 328 A CB -0.012 18.956 19.000 -0.054 0.000 0.834 328 A HN 0.306 nan 8.150 nan 0.000 0.482 329 G N -0.290 108.397 108.800 -0.188 0.000 2.141 329 G HA2 -0.187 3.766 3.960 -0.011 0.000 0.242 329 G HA3 -0.187 3.766 3.960 -0.011 0.000 0.242 329 G C -0.260 174.212 174.900 -0.714 0.000 0.982 329 G CA 0.231 44.940 45.100 -0.651 0.000 0.662 329 G HN 0.434 nan 8.290 nan 0.000 0.527 330 D N 0.805 121.025 120.400 -0.299 0.000 3.134 330 D HA 0.250 4.884 4.640 -0.011 0.000 0.248 330 D C 0.864 177.144 176.300 -0.032 0.000 1.273 330 D CA -0.300 53.613 54.000 -0.145 0.000 0.904 330 D CB -0.649 40.155 40.800 0.008 0.000 1.089 330 D HN 0.472 nan 8.370 nan 0.000 0.478 331 F N 1.531 121.482 119.950 0.002 0.000 2.593 331 F HA 0.030 4.551 4.527 -0.010 0.000 0.393 331 F C -1.365 174.404 175.800 -0.052 0.000 1.037 331 F CA -1.768 56.222 58.000 -0.016 0.000 1.195 331 F CB -0.167 38.830 39.000 -0.004 0.000 1.034 331 F HN -0.116 nan 8.300 nan 0.000 0.552 332 P HA 0.010 nan 4.420 nan 0.000 0.263 332 P C -1.000 176.236 177.300 -0.106 0.000 1.195 332 P CA 0.437 63.511 63.100 -0.043 0.000 0.762 332 P CB 0.450 32.188 31.700 0.063 0.000 0.799 333 E N 2.537 122.552 120.200 -0.308 0.000 2.234 333 E HA 0.405 4.748 4.350 -0.011 0.000 0.266 333 E C -1.056 175.282 176.600 -0.436 0.000 0.877 333 E CA -0.567 55.706 56.400 -0.213 0.000 0.758 333 E CB 1.405 31.076 29.700 -0.048 0.000 1.170 333 E HN 0.380 nan 8.360 nan 0.000 0.415 334 Y N 0.510 120.893 120.300 0.139 0.000 2.462 334 Y HA 0.255 4.801 4.550 -0.008 0.000 0.346 334 Y C -0.090 176.054 175.900 0.406 0.000 0.976 334 Y CA -0.946 57.314 58.100 0.268 0.000 1.044 334 Y CB 1.956 40.561 38.460 0.242 0.000 1.230 334 Y HN 0.458 nan 8.280 nan 0.000 0.455 335 E N 2.868 123.398 120.200 0.550 0.000 2.134 335 E HA 0.353 4.697 4.350 -0.011 0.000 0.278 335 E C -1.444 175.394 176.600 0.397 0.000 0.959 335 E CA -0.971 55.683 56.400 0.424 0.000 0.783 335 E CB 0.952 30.836 29.700 0.308 0.000 1.095 335 E HN 0.589 nan 8.360 nan 0.000 0.399 336 L N 4.507 125.887 121.223 0.263 0.000 2.410 336 L HA 0.440 4.773 4.340 -0.011 0.000 0.273 336 L C -0.050 176.717 176.870 -0.172 0.000 1.152 336 L CA 0.682 55.398 54.840 -0.205 0.000 0.855 336 L CB 0.879 42.806 42.059 -0.220 0.000 1.129 336 L HN 0.575 nan 8.230 nan 0.000 0.463 337 G N 4.682 113.408 108.800 -0.123 0.000 2.571 337 G HA2 0.563 4.517 3.960 -0.011 0.000 0.304 337 G HA3 0.563 4.517 3.960 -0.011 0.000 0.304 337 G C -1.552 173.471 174.900 0.205 0.000 1.314 337 G CA -0.514 44.562 45.100 -0.038 0.000 0.975 337 G HN 0.467 nan 8.290 nan 0.000 0.485 338 F N 0.123 120.064 119.950 -0.015 0.000 2.507 338 F HA 0.393 4.914 4.527 -0.010 0.000 0.325 338 F C 0.345 176.118 175.800 -0.045 0.000 1.116 338 F CA -0.943 57.051 58.000 -0.010 0.000 0.930 338 F CB 2.690 41.676 39.000 -0.023 0.000 1.146 338 F HN 0.133 nan 8.300 nan 0.000 0.447 339 Q N 4.277 124.163 119.800 0.143 0.000 2.331 339 Q HA 0.458 4.792 4.340 -0.011 0.000 0.257 339 Q C -1.069 174.954 176.000 0.038 0.000 0.957 339 Q CA -0.459 55.381 55.803 0.062 0.000 0.923 339 Q CB 1.904 30.684 28.738 0.070 0.000 1.212 339 Q HN 0.533 nan 8.270 nan 0.000 0.443 340 L N 4.517 125.776 121.223 0.060 0.000 2.296 340 L HA 0.539 4.872 4.340 -0.011 0.000 0.286 340 L C -0.820 176.096 176.870 0.076 0.000 1.023 340 L CA -0.793 54.075 54.840 0.047 0.000 0.812 340 L CB 1.069 43.166 42.059 0.062 0.000 1.223 340 L HN 0.502 nan 8.230 nan 0.000 0.421 341 I N 4.772 125.402 120.570 0.099 0.000 2.447 341 I HA 0.404 4.567 4.170 -0.011 0.000 0.287 341 I C -2.299 173.919 176.117 0.168 0.000 1.023 341 I CA -1.994 59.409 61.300 0.171 0.000 1.083 341 I CB 1.685 39.816 38.000 0.219 0.000 1.245 341 I HN 0.298 nan 8.210 nan 0.000 0.434 342 P HA 0.019 nan 4.420 nan 0.000 0.267 342 P C 0.766 178.105 177.300 0.065 0.000 1.200 342 P CA -0.067 63.055 63.100 0.036 0.000 0.772 342 P CB 0.800 32.519 31.700 0.031 0.000 0.855 343 E N 1.783 121.918 120.200 -0.108 0.000 2.118 343 E HA -0.274 4.070 4.350 -0.011 0.000 0.195 343 E C 0.842 177.491 176.600 0.082 0.000 0.992 343 E CA 1.453 57.765 56.400 -0.147 0.000 0.804 343 E CB 0.039 29.565 29.700 -0.289 0.000 0.741 343 E HN 0.434 nan 8.360 nan 0.000 0.458 344 E N 0.594 120.827 120.200 0.056 0.000 2.338 344 E HA -0.125 4.219 4.350 -0.011 0.000 0.197 344 E C 0.854 177.501 176.600 0.079 0.000 1.007 344 E CA 1.014 57.459 56.400 0.074 0.000 0.849 344 E CB 0.038 29.765 29.700 0.046 0.000 0.774 344 E HN 0.240 nan 8.360 nan 0.000 0.506 345 D N 0.166 120.615 120.400 0.083 0.000 2.325 345 D HA -0.022 4.612 4.640 -0.011 0.000 0.225 345 D C 1.272 177.589 176.300 0.029 0.000 1.096 345 D CA 0.103 54.127 54.000 0.041 0.000 0.844 345 D CB 0.014 40.855 40.800 0.069 0.000 0.925 345 D HN 0.290 nan 8.370 nan 0.000 0.513 346 E N -0.117 120.064 120.200 -0.033 0.000 2.086 346 E HA -0.210 4.134 4.350 -0.011 0.000 0.200 346 E C 0.377 176.651 176.600 -0.544 0.000 1.012 346 E CA 1.149 57.321 56.400 -0.381 0.000 0.812 346 E CB -0.012 29.274 29.700 -0.689 0.000 0.743 346 E HN 0.277 nan 8.360 nan 0.000 0.453 347 F N -0.294 119.666 119.950 0.017 0.000 2.730 347 F HA 0.287 4.808 4.527 -0.011 0.000 0.295 347 F C 1.213 176.955 175.800 -0.097 0.000 1.143 347 F CA -0.241 57.743 58.000 -0.027 0.000 1.367 347 F CB 0.544 39.535 39.000 -0.015 0.000 0.970 347 F HN -0.172 nan 8.300 nan 0.000 0.514 348 K N -0.067 120.264 120.400 -0.115 0.000 2.404 348 K HA 0.150 4.463 4.320 -0.011 0.000 0.194 348 K C -0.219 176.007 176.600 -0.624 0.000 1.023 348 K CA 0.212 56.280 56.287 -0.366 0.000 1.094 348 K CB 0.261 32.476 32.500 -0.475 0.000 0.841 348 K HN 0.139 nan 8.250 nan 0.000 0.523 349 F N 0.633 120.424 119.950 -0.265 0.000 2.497 349 F HA 0.097 4.619 4.527 -0.009 0.000 0.331 349 F C 1.128 176.729 175.800 -0.332 0.000 1.060 349 F CA -1.299 56.440 58.000 -0.434 0.000 0.989 349 F CB 0.734 39.108 39.000 -1.044 0.000 1.245 349 F HN -0.018 nan 8.300 nan 0.000 0.486 350 D N -0.311 120.076 120.400 -0.023 0.000 2.325 350 D HA 0.066 4.699 4.640 -0.011 0.000 0.234 350 D C -0.538 175.851 176.300 0.148 0.000 1.122 350 D CA 0.104 54.146 54.000 0.071 0.000 0.850 350 D CB -0.875 39.995 40.800 0.117 0.000 0.921 350 D HN 0.236 nan 8.370 nan 0.000 0.513 351 F N -1.981 118.042 119.950 0.121 0.000 2.603 351 F HA 0.504 5.025 4.527 -0.011 0.000 0.317 351 F C -0.419 175.363 175.800 -0.030 0.000 1.066 351 F CA -1.723 56.274 58.000 -0.004 0.000 0.941 351 F CB 1.003 39.960 39.000 -0.072 0.000 1.291 351 F HN -0.324 nan 8.300 nan 0.000 0.472 352 D N 2.193 122.613 120.400 0.033 0.000 2.351 352 D HA 0.170 4.804 4.640 -0.011 0.000 0.251 352 D C 1.018 177.258 176.300 -0.101 0.000 1.137 352 D CA 0.027 53.984 54.000 -0.071 0.000 0.879 352 D CB 1.451 42.187 40.800 -0.108 0.000 1.181 352 D HN 0.771 nan 8.370 nan 0.000 0.448 353 L N 3.509 124.606 121.223 -0.211 0.000 2.191 353 L HA -0.133 4.201 4.340 -0.011 0.000 0.212 353 L C 2.035 178.759 176.870 -0.243 0.000 1.103 353 L CA 0.690 55.373 54.840 -0.261 0.000 0.769 353 L CB -0.057 41.700 42.059 -0.503 0.000 0.908 353 L HN 0.468 nan 8.230 nan 0.000 0.438 354 L N -1.043 120.058 121.223 -0.204 0.000 2.599 354 L HA 0.028 4.361 4.340 -0.011 0.000 0.230 354 L C 0.518 177.300 176.870 -0.146 0.000 1.141 354 L CA -0.084 54.703 54.840 -0.089 0.000 0.877 354 L CB -0.280 41.841 42.059 0.103 0.000 1.009 354 L HN 0.102 nan 8.230 nan 0.000 0.447 355 D N 1.784 121.849 120.400 -0.560 0.000 2.339 355 D HA 0.097 4.730 4.640 -0.011 0.000 0.241 355 D C -1.538 174.543 176.300 -0.366 0.000 1.183 355 D CA -2.166 51.304 54.000 -0.883 0.000 0.859 355 D CB 1.566 41.625 40.800 -1.235 0.000 1.067 355 D HN -0.054 nan 8.370 nan 0.000 0.484 356 P HA -0.050 nan 4.420 nan 0.000 0.237 356 P C 0.854 178.056 177.300 -0.163 0.000 1.178 356 P CA 0.671 63.698 63.100 -0.123 0.000 0.766 356 P CB -0.004 31.710 31.700 0.023 0.000 0.876 357 T N -4.548 109.903 114.554 -0.172 0.000 3.086 357 T HA 0.168 4.511 4.350 -0.011 0.000 0.250 357 T C 0.693 175.292 174.700 -0.168 0.000 1.074 357 T CA -0.131 61.880 62.100 -0.148 0.000 0.988 357 T CB -0.152 68.677 68.868 -0.065 0.000 0.988 357 T HN -0.136 nan 8.240 nan 0.000 0.530 358 K N 2.139 122.339 120.400 -0.334 0.000 2.292 358 K HA 0.561 4.875 4.320 -0.011 0.000 0.257 358 K C -0.452 175.921 176.600 -0.378 0.000 0.940 358 K CA -0.812 55.123 56.287 -0.587 0.000 0.811 358 K CB 2.332 34.369 32.500 -0.772 0.000 1.120 358 K HN 0.296 nan 8.250 nan 0.000 0.428 359 L N -0.167 120.974 121.223 -0.136 0.000 2.387 359 L HA 0.658 4.992 4.340 -0.011 0.000 0.266 359 L C -0.077 176.623 176.870 -0.283 0.000 1.059 359 L CA -0.456 54.294 54.840 -0.151 0.000 0.801 359 L CB 0.390 42.444 42.059 -0.008 0.000 1.223 359 L HN 0.452 nan 8.230 nan 0.000 0.456 360 I N 1.591 122.087 120.570 -0.123 0.000 2.330 360 I HA 0.372 4.536 4.170 -0.011 0.000 0.286 360 I C -2.150 174.002 176.117 0.058 0.000 1.025 360 I CA -1.761 59.526 61.300 -0.022 0.000 1.197 360 I CB 1.130 39.125 38.000 -0.008 0.000 1.358 360 I HN 0.453 nan 8.210 nan 0.000 0.467 361 P HA 0.027 nan 4.420 nan 0.000 0.264 361 P C 0.325 177.697 177.300 0.121 0.000 1.193 361 P CA 0.137 63.294 63.100 0.094 0.000 0.763 361 P CB 0.620 32.365 31.700 0.075 0.000 0.810 362 E N 1.691 121.966 120.200 0.126 0.000 2.268 362 E HA -0.189 4.154 4.350 -0.011 0.000 0.195 362 E C 1.427 178.080 176.600 0.088 0.000 0.995 362 E CA 0.728 57.187 56.400 0.099 0.000 0.836 362 E CB 0.003 29.761 29.700 0.098 0.000 0.763 362 E HN 0.483 nan 8.360 nan 0.000 0.491 363 E N 0.474 120.729 120.200 0.091 0.000 2.153 363 E HA -0.143 4.201 4.350 -0.011 0.000 0.194 363 E C 2.039 178.700 176.600 0.101 0.000 0.988 363 E CA 0.784 57.233 56.400 0.082 0.000 0.811 363 E CB 0.021 29.764 29.700 0.072 0.000 0.746 363 E HN 0.350 nan 8.360 nan 0.000 0.466 364 L N -0.470 120.837 121.223 0.139 0.000 2.127 364 L HA 0.027 4.361 4.340 -0.011 0.000 0.203 364 L C 0.572 177.561 176.870 0.199 0.000 1.080 364 L CA 0.503 55.460 54.840 0.196 0.000 0.768 364 L CB 0.373 42.619 42.059 0.312 0.000 0.924 364 L HN -0.193 nan 8.230 nan 0.000 0.444 365 V N 1.265 121.278 119.914 0.165 0.000 2.445 365 V HA 0.292 4.405 4.120 -0.011 0.000 0.283 365 V C -2.368 173.771 176.094 0.075 0.000 1.014 365 V CA -1.467 60.913 62.300 0.133 0.000 0.852 365 V CB 1.393 33.294 31.823 0.130 0.000 1.021 365 V HN -0.029 nan 8.190 nan 0.000 0.435 366 P HA 0.134 nan 4.420 nan 0.000 0.269 366 P C -0.205 177.088 177.300 -0.011 0.000 1.215 366 P CA 0.107 63.223 63.100 0.027 0.000 0.780 366 P CB 1.008 32.729 31.700 0.035 0.000 0.898 367 V N 3.305 123.179 119.914 -0.066 0.000 2.488 367 V HA 0.089 4.203 4.120 -0.011 0.000 0.277 367 V C 0.845 176.921 176.094 -0.029 0.000 1.046 367 V CA 0.066 62.292 62.300 -0.123 0.000 0.986 367 V CB 0.319 31.980 31.823 -0.270 0.000 0.989 367 V HN 0.546 nan 8.190 nan 0.000 0.475 368 Q N 5.588 125.389 119.800 0.002 0.000 2.296 368 Q HA 0.330 4.664 4.340 -0.011 0.000 0.257 368 Q C -0.188 175.794 176.000 -0.030 0.000 0.942 368 Q CA -0.656 55.153 55.803 0.010 0.000 0.939 368 Q CB 0.641 29.398 28.738 0.031 0.000 1.198 368 Q HN 0.649 nan 8.270 nan 0.000 0.429 369 R N 3.196 123.708 120.500 0.021 0.000 2.343 369 R HA 0.065 4.399 4.340 -0.011 0.000 0.326 369 R C 0.261 176.554 176.300 -0.011 0.000 1.055 369 R CA -0.208 55.930 56.100 0.064 0.000 0.961 369 R CB 0.632 31.075 30.300 0.238 0.000 0.978 369 R HN 0.516 nan 8.270 nan 0.000 0.443 370 V N 1.761 121.511 119.914 -0.273 0.000 3.212 370 V HA 0.246 4.359 4.120 -0.011 0.000 0.244 370 V C 0.975 176.720 176.094 -0.580 0.000 1.151 370 V CA 1.177 63.219 62.300 -0.430 0.000 1.119 370 V CB 0.784 32.117 31.823 -0.818 0.000 0.838 370 V HN 1.021 nan 8.190 nan 0.000 0.470 371 G N -0.292 108.013 108.800 -0.825 0.000 2.428 371 G HA2 0.489 4.443 3.960 -0.011 0.000 0.304 371 G HA3 0.489 4.443 3.960 -0.011 0.000 0.304 371 G C -1.757 172.800 174.900 -0.572 0.000 1.303 371 G CA -0.489 43.990 45.100 -1.035 0.000 0.825 371 G HN 0.076 nan 8.290 nan 0.000 0.484 372 K N -0.689 119.522 120.400 -0.316 0.000 2.468 372 K HA 0.708 5.022 4.320 -0.011 0.000 0.252 372 K C -1.238 175.475 176.600 0.188 0.000 0.932 372 K CA -0.818 55.541 56.287 0.119 0.000 0.794 372 K CB 2.232 34.860 32.500 0.214 0.000 1.241 372 K HN 0.640 nan 8.250 nan 0.000 0.428 373 M N 4.728 124.536 119.600 0.346 0.000 2.311 373 M HA 0.390 4.864 4.480 -0.011 0.000 0.325 373 M C -1.763 174.529 176.300 -0.013 0.000 1.061 373 M CA -0.779 54.646 55.300 0.207 0.000 0.957 373 M CB 1.759 34.508 32.600 0.249 0.000 1.646 373 M HN 0.372 nan 8.290 nan 0.000 0.434 374 V N 5.857 125.585 119.914 -0.310 0.000 2.409 374 V HA 0.400 4.514 4.120 -0.011 0.000 0.291 374 V C -0.807 175.111 176.094 -0.293 0.000 1.020 374 V CA -0.816 61.283 62.300 -0.335 0.000 0.848 374 V CB 1.515 32.967 31.823 -0.618 0.000 0.990 374 V HN 0.675 nan 8.190 nan 0.000 0.430 375 L N 6.098 127.242 121.223 -0.131 0.000 2.268 375 L HA 0.445 4.779 4.340 -0.011 0.000 0.289 375 L C 0.818 177.549 176.870 -0.231 0.000 1.064 375 L CA 0.250 55.016 54.840 -0.124 0.000 0.824 375 L CB 0.763 42.813 42.059 -0.016 0.000 1.202 375 L HN 0.865 nan 8.230 nan 0.000 0.433 376 N N 1.812 120.283 118.700 -0.382 0.000 2.194 376 N HA 0.155 4.888 4.740 -0.011 0.000 0.231 376 N C -0.001 175.300 175.510 -0.348 0.000 1.247 376 N CA -0.258 52.306 53.050 -0.810 0.000 0.884 376 N CB 0.712 38.427 38.487 -1.287 0.000 1.146 376 N HN 0.262 nan 8.380 nan 0.000 0.516 377 R N 0.588 120.997 120.500 -0.151 0.000 2.522 377 R HA 0.295 4.629 4.340 -0.011 0.000 0.273 377 R C -1.365 174.886 176.300 -0.082 0.000 1.133 377 R CA -0.393 55.650 56.100 -0.095 0.000 0.969 377 R CB 1.299 31.561 30.300 -0.064 0.000 1.235 377 R HN 0.110 nan 8.270 nan 0.000 0.433 378 N N 3.275 121.810 118.700 -0.276 0.000 2.483 378 N HA 0.341 5.075 4.740 -0.011 0.000 0.269 378 N C -2.207 173.256 175.510 -0.079 0.000 1.209 378 N CA -1.229 51.530 53.050 -0.484 0.000 0.969 378 N CB 0.528 38.071 38.487 -1.574 0.000 1.173 378 N HN 0.290 nan 8.380 nan 0.000 0.475 379 P HA 0.084 nan 4.420 nan 0.000 0.271 379 P C 0.114 177.612 177.300 0.329 0.000 1.244 379 P CA -0.027 63.277 63.100 0.340 0.000 0.793 379 P CB 1.043 32.981 31.700 0.396 0.000 0.984 380 D N -1.040 119.522 120.400 0.270 0.000 2.269 380 D HA -0.014 4.620 4.640 -0.011 0.000 0.220 380 D C 0.413 176.883 176.300 0.284 0.000 0.962 380 D CA 1.242 55.390 54.000 0.246 0.000 0.884 380 D CB 0.211 41.098 40.800 0.145 0.000 1.023 380 D HN 0.387 nan 8.370 nan 0.000 0.484 381 N N -0.047 118.812 118.700 0.265 0.000 2.448 381 N HA 0.022 4.755 4.740 -0.011 0.000 0.279 381 N C 0.107 175.819 175.510 0.336 0.000 1.025 381 N CA -0.317 52.902 53.050 0.282 0.000 0.898 381 N CB 1.588 40.211 38.487 0.226 0.000 1.303 381 N HN -0.152 nan 8.380 nan 0.000 0.495 382 F N 4.552 124.651 119.950 0.249 0.000 2.069 382 F HA -0.197 4.324 4.527 -0.011 0.000 0.298 382 F C 1.731 177.664 175.800 0.221 0.000 1.113 382 F CA 1.580 59.729 58.000 0.249 0.000 1.214 382 F CB -0.168 38.954 39.000 0.203 0.000 0.978 382 F HN 0.611 nan 8.300 nan 0.000 0.474 383 F N 0.891 121.079 119.950 0.396 0.000 2.069 383 F HA -0.216 4.305 4.527 -0.009 0.000 0.298 383 F C 2.345 178.201 175.800 0.094 0.000 1.113 383 F CA 2.012 60.159 58.000 0.245 0.000 1.214 383 F CB -0.944 38.175 39.000 0.200 0.000 0.978 383 F HN 0.020 nan 8.300 nan 0.000 0.474 384 A N -0.334 122.585 122.820 0.165 0.000 1.902 384 A HA -0.194 4.120 4.320 -0.011 0.000 0.217 384 A C 2.061 179.557 177.584 -0.146 0.000 1.181 384 A CA 2.117 54.154 52.037 0.001 0.000 0.623 384 A CB -0.723 18.351 19.000 0.123 0.000 0.818 384 A HN 0.623 nan 8.150 nan 0.000 0.443 385 E N -1.439 118.700 120.200 -0.101 0.000 2.162 385 E HA -0.059 4.285 4.350 -0.011 0.000 0.193 385 E C 1.992 178.501 176.600 -0.152 0.000 0.953 385 E CA 0.454 56.736 56.400 -0.197 0.000 0.849 385 E CB -0.130 29.512 29.700 -0.097 0.000 0.810 385 E HN 0.572 nan 8.360 nan 0.000 0.470 386 N N 1.384 120.001 118.700 -0.138 0.000 2.176 386 N HA -0.165 4.569 4.740 -0.011 0.000 0.187 386 N C 1.840 177.195 175.510 -0.259 0.000 1.043 386 N CA 1.375 54.302 53.050 -0.204 0.000 0.851 386 N CB 0.018 38.010 38.487 -0.825 0.000 1.018 386 N HN -0.074 nan 8.380 nan 0.000 0.436 387 E N 0.897 120.867 120.200 -0.383 0.000 2.097 387 E HA -0.141 4.202 4.350 -0.011 0.000 0.196 387 E C 1.777 178.205 176.600 -0.288 0.000 1.000 387 E CA 1.584 57.843 56.400 -0.236 0.000 0.804 387 E CB -0.223 29.374 29.700 -0.173 0.000 0.740 387 E HN 0.508 nan 8.360 nan 0.000 0.454 388 Q N -0.376 119.172 119.800 -0.419 0.000 2.451 388 Q HA 0.201 4.535 4.340 -0.011 0.000 0.206 388 Q C 0.122 176.008 176.000 -0.190 0.000 0.947 388 Q CA 0.268 55.873 55.803 -0.329 0.000 0.937 388 Q CB 0.291 28.796 28.738 -0.388 0.000 1.025 388 Q HN 0.233 nan 8.270 nan 0.000 0.511 389 A N 1.086 123.822 122.820 -0.140 0.000 2.462 389 A HA 0.452 4.766 4.320 -0.011 0.000 0.243 389 A C -0.148 177.356 177.584 -0.132 0.000 1.076 389 A CA 0.180 52.123 52.037 -0.157 0.000 0.773 389 A CB 0.283 19.265 19.000 -0.029 0.000 1.010 389 A HN 0.265 nan 8.150 nan 0.000 0.493 390 A N 2.211 124.899 122.820 -0.220 0.000 2.323 390 A HA 0.670 4.983 4.320 -0.011 0.000 0.305 390 A C -0.788 176.703 177.584 -0.155 0.000 1.275 390 A CA -0.412 51.564 52.037 -0.102 0.000 0.804 390 A CB 0.128 19.100 19.000 -0.046 0.000 1.152 390 A HN 0.626 nan 8.150 nan 0.000 0.487 391 F N 1.337 121.302 119.950 0.024 0.000 2.421 391 F HA 0.589 5.105 4.527 -0.019 0.000 0.337 391 F C 0.410 176.189 175.800 -0.034 0.000 1.105 391 F CA -0.036 57.951 58.000 -0.022 0.000 1.049 391 F CB 1.718 40.651 39.000 -0.113 0.000 1.139 391 F HN 0.736 nan 8.300 nan 0.000 0.479 392 H N 4.053 122.981 119.070 -0.236 0.000 2.966 392 H HA 0.305 4.847 4.556 -0.024 0.000 0.347 392 H C -2.392 172.567 175.328 -0.616 0.000 1.048 392 H CA -2.039 53.626 56.048 -0.639 0.000 1.295 392 H CB 2.679 31.941 29.762 -0.833 0.000 1.744 392 H HN 0.178 nan 8.280 nan 0.000 0.513 393 P HA -0.038 nan 4.420 nan 0.000 0.223 393 P C 1.252 178.371 177.300 -0.302 0.000 1.151 393 P CA 1.419 64.197 63.100 -0.537 0.000 0.787 393 P CB 0.152 31.579 31.700 -0.455 0.000 0.788 394 G N -0.509 107.831 108.800 -0.767 0.000 2.422 394 G HA2 -0.187 3.766 3.960 -0.011 0.000 0.218 394 G HA3 -0.187 3.766 3.960 -0.011 0.000 0.218 394 G C 0.552 175.571 174.900 0.197 0.000 1.140 394 G CA 0.128 45.093 45.100 -0.226 0.000 0.775 394 G HN 0.422 nan 8.290 nan 0.000 0.545 395 H N 1.088 120.214 119.070 0.093 0.000 3.432 395 H HA 0.302 4.856 4.556 -0.002 0.000 0.252 395 H C 0.594 176.000 175.328 0.130 0.000 1.397 395 H CA -0.639 55.473 56.048 0.106 0.000 1.549 395 H CB -0.321 29.485 29.762 0.075 0.000 1.699 395 H HN 0.394 nan 8.280 nan 0.000 0.523 396 I N -0.302 120.374 120.570 0.177 0.000 3.237 396 I HA 0.710 4.874 4.170 -0.011 0.000 0.308 396 I C -0.208 175.894 176.117 -0.025 0.000 1.093 396 I CA -1.482 59.868 61.300 0.083 0.000 1.001 396 I CB 1.996 39.949 38.000 -0.079 0.000 1.245 396 I HN 0.139 nan 8.210 nan 0.000 0.485 397 V N -2.540 117.352 119.914 -0.037 0.000 3.130 397 V HA 0.658 4.772 4.120 -0.011 0.000 0.310 397 V C -2.857 173.337 176.094 0.168 0.000 1.158 397 V CA -2.535 59.800 62.300 0.059 0.000 1.029 397 V CB 1.014 32.870 31.823 0.054 0.000 1.057 397 V HN 0.634 nan 8.190 nan 0.000 0.436 398 P HA 0.305 nan 4.420 nan 0.000 0.263 398 P C 0.965 178.282 177.300 0.027 0.000 1.175 398 P CA 2.057 65.252 63.100 0.157 0.000 0.761 398 P CB 0.517 32.281 31.700 0.107 0.000 0.794 399 G N 1.485 110.258 108.800 -0.045 0.000 2.213 399 G HA2 -0.171 3.783 3.960 -0.011 0.000 0.226 399 G HA3 -0.171 3.783 3.960 -0.011 0.000 0.226 399 G C -0.290 174.537 174.900 -0.123 0.000 0.992 399 G CA -0.377 44.670 45.100 -0.089 0.000 0.632 399 G HN 0.469 nan 8.290 nan 0.000 0.511 400 L N 0.171 121.336 121.223 -0.096 0.000 2.354 400 L HA 0.872 5.206 4.340 -0.011 0.000 0.264 400 L C -0.852 175.975 176.870 -0.072 0.000 1.008 400 L CA -1.044 53.717 54.840 -0.132 0.000 0.819 400 L CB 2.229 44.137 42.059 -0.252 0.000 1.339 400 L HN 0.100 nan 8.230 nan 0.000 0.420 401 D N -0.106 120.237 120.400 -0.095 0.000 2.599 401 D HA 0.448 5.082 4.640 -0.011 0.000 0.252 401 D C -1.040 175.204 176.300 -0.093 0.000 1.232 401 D CA -0.336 53.570 54.000 -0.157 0.000 0.819 401 D CB 2.123 42.889 40.800 -0.058 0.000 1.401 401 D HN 0.103 nan 8.370 nan 0.000 0.429 402 F N -0.092 119.991 119.950 0.220 0.000 2.251 402 F HA 0.509 5.039 4.527 0.004 0.000 0.302 402 F C 1.576 177.404 175.800 0.048 0.000 1.143 402 F CA -0.178 57.886 58.000 0.106 0.000 1.104 402 F CB 0.629 39.651 39.000 0.037 0.000 1.516 402 F HN 0.236 nan 8.300 nan 0.000 0.511 403 T N -3.441 111.226 114.554 0.188 0.000 2.778 403 T HA 0.306 4.649 4.350 -0.011 0.000 0.293 403 T C -0.167 174.575 174.700 0.069 0.000 1.144 403 T CA -0.987 61.188 62.100 0.126 0.000 1.010 403 T CB 1.223 70.135 68.868 0.073 0.000 1.325 403 T HN 0.327 nan 8.240 nan 0.000 0.515 404 N N 1.154 119.898 118.700 0.074 0.000 2.449 404 N HA 0.064 4.797 4.740 -0.011 0.000 0.191 404 N C 0.038 175.567 175.510 0.032 0.000 1.161 404 N CA 0.094 53.175 53.050 0.052 0.000 0.863 404 N CB -0.392 38.143 38.487 0.080 0.000 0.980 404 N HN 0.692 nan 8.380 nan 0.000 0.458 405 D N 2.047 122.451 120.400 0.006 0.000 2.581 405 D HA -0.069 4.565 4.640 -0.011 0.000 0.238 405 D C -1.418 174.889 176.300 0.012 0.000 1.145 405 D CA -1.031 52.998 54.000 0.050 0.000 0.866 405 D CB 1.345 42.136 40.800 -0.015 0.000 1.151 405 D HN 0.122 nan 8.370 nan 0.000 0.500 406 P HA -0.117 nan 4.420 nan 0.000 0.221 406 P C 1.592 178.910 177.300 0.031 0.000 1.150 406 P CA 0.249 63.368 63.100 0.031 0.000 0.800 406 P CB 0.346 32.051 31.700 0.009 0.000 0.787 407 L N -0.334 120.932 121.223 0.073 0.000 2.007 407 L HA -0.036 4.298 4.340 -0.011 0.000 0.205 407 L C 2.397 179.200 176.870 -0.112 0.000 1.073 407 L CA 1.433 56.312 54.840 0.065 0.000 0.744 407 L CB -1.652 40.531 42.059 0.206 0.000 0.898 407 L HN -0.169 nan 8.230 nan 0.000 0.435 408 L N -0.486 120.517 121.223 -0.366 0.000 2.042 408 L HA -0.247 4.087 4.340 -0.011 0.000 0.210 408 L C 2.477 179.103 176.870 -0.406 0.000 1.076 408 L CA 1.798 56.202 54.840 -0.726 0.000 0.749 408 L CB -0.915 40.429 42.059 -1.192 0.000 0.893 408 L HN 0.397 nan 8.230 nan 0.000 0.432 409 Q N -0.081 119.554 119.800 -0.274 0.000 2.045 409 Q HA -0.194 4.139 4.340 -0.011 0.000 0.206 409 Q C 2.128 178.048 176.000 -0.134 0.000 0.991 409 Q CA 1.994 57.675 55.803 -0.204 0.000 0.851 409 Q CB -0.978 27.692 28.738 -0.112 0.000 0.911 409 Q HN 0.709 nan 8.270 nan 0.000 0.418 410 G N 0.431 109.189 108.800 -0.070 0.000 2.421 410 G HA2 -0.209 3.744 3.960 -0.011 0.000 0.217 410 G HA3 -0.209 3.744 3.960 -0.011 0.000 0.217 410 G C 1.510 176.431 174.900 0.036 0.000 1.143 410 G CA 0.224 45.329 45.100 0.008 0.000 0.784 410 G HN 0.251 nan 8.290 nan 0.000 0.541 411 R N -0.096 120.376 120.500 -0.047 0.000 2.105 411 R HA 0.017 4.351 4.340 -0.011 0.000 0.239 411 R C 2.490 178.861 176.300 0.118 0.000 1.135 411 R CA 0.867 56.992 56.100 0.043 0.000 0.967 411 R CB -0.462 29.835 30.300 -0.005 0.000 0.861 411 R HN 0.349 nan 8.270 nan 0.000 0.442 412 L N -0.381 120.806 121.223 -0.060 0.000 2.079 412 L HA -0.209 4.124 4.340 -0.011 0.000 0.210 412 L C 2.317 179.308 176.870 0.201 0.000 1.081 412 L CA 1.181 55.989 54.840 -0.055 0.000 0.752 412 L CB -0.509 41.377 42.059 -0.288 0.000 0.896 412 L HN 0.155 nan 8.230 nan 0.000 0.433 413 F N 0.212 120.192 119.950 0.049 0.000 2.146 413 F HA -0.194 4.305 4.527 -0.046 0.000 0.298 413 F C 2.778 178.620 175.800 0.071 0.000 1.096 413 F CA 1.590 59.622 58.000 0.053 0.000 1.275 413 F CB -0.354 38.654 39.000 0.014 0.000 1.008 413 F HN -0.042 nan 8.300 nan 0.000 0.480 414 S N -0.437 115.216 115.700 -0.079 0.000 2.343 414 S HA -0.258 4.206 4.470 -0.011 0.000 0.219 414 S C 2.084 176.531 174.600 -0.256 0.000 1.033 414 S CA 1.756 59.813 58.200 -0.238 0.000 1.014 414 S CB -0.931 62.170 63.200 -0.166 0.000 0.915 414 S HN 0.544 nan 8.310 nan 0.000 0.435 415 Y N 1.543 121.799 120.300 -0.073 0.000 2.403 415 Y HA -0.066 4.507 4.550 0.040 0.000 0.291 415 Y C 2.825 178.382 175.900 -0.571 0.000 1.143 415 Y CA 1.279 59.320 58.100 -0.099 0.000 1.257 415 Y CB -0.633 38.235 38.460 0.680 0.000 0.984 415 Y HN 0.303 nan 8.280 nan 0.000 0.550 416 T N -0.964 113.225 114.554 -0.609 0.000 2.814 416 T HA -0.151 4.192 4.350 -0.011 0.000 0.254 416 T C 1.431 175.904 174.700 -0.378 0.000 1.037 416 T CA 1.296 63.103 62.100 -0.488 0.000 1.143 416 T CB -0.422 68.246 68.868 -0.333 0.000 0.866 416 T HN 0.288 nan 8.240 nan 0.000 0.431 417 D N 0.952 121.087 120.400 -0.442 0.000 2.126 417 D HA -0.160 4.474 4.640 -0.011 0.000 0.190 417 D C 2.231 178.357 176.300 -0.291 0.000 1.001 417 D CA 1.810 55.564 54.000 -0.410 0.000 0.841 417 D CB -0.519 39.860 40.800 -0.701 0.000 0.949 417 D HN 0.261 nan 8.370 nan 0.000 0.446 418 T N -1.340 113.032 114.554 -0.302 0.000 2.881 418 T HA -0.152 4.192 4.350 -0.011 0.000 0.270 418 T C 1.484 176.046 174.700 -0.230 0.000 1.068 418 T CA 1.364 63.328 62.100 -0.228 0.000 1.131 418 T CB -0.155 68.578 68.868 -0.224 0.000 0.871 418 T HN 0.170 nan 8.240 nan 0.000 0.479 419 Q N 0.124 119.714 119.800 -0.350 0.000 2.444 419 Q HA 0.241 4.574 4.340 -0.011 0.000 0.206 419 Q C 1.822 177.677 176.000 -0.240 0.000 0.948 419 Q CA 0.109 55.681 55.803 -0.386 0.000 0.946 419 Q CB 0.008 28.314 28.738 -0.720 0.000 1.027 419 Q HN 0.430 nan 8.270 nan 0.000 0.513 420 I N 0.097 120.571 120.570 -0.160 0.000 2.286 420 I HA -0.236 3.928 4.170 -0.011 0.000 0.248 420 I C 2.090 178.187 176.117 -0.033 0.000 1.115 420 I CA 1.683 62.955 61.300 -0.047 0.000 1.392 420 I CB -1.317 36.667 38.000 -0.027 0.000 1.065 420 I HN 0.258 nan 8.210 nan 0.000 0.418 421 S N 0.445 116.114 115.700 -0.052 0.000 2.371 421 S HA -0.083 4.381 4.470 -0.011 0.000 0.219 421 S C 2.188 176.768 174.600 -0.034 0.000 1.040 421 S CA 0.278 58.461 58.200 -0.028 0.000 0.958 421 S CB -0.489 62.698 63.200 -0.020 0.000 0.860 421 S HN 0.277 nan 8.310 nan 0.000 0.487 422 R N 0.962 121.424 120.500 -0.063 0.000 2.096 422 R HA 0.080 4.413 4.340 -0.011 0.000 0.240 422 R C 1.484 177.755 176.300 -0.048 0.000 1.139 422 R CA 1.614 57.681 56.100 -0.056 0.000 0.952 422 R CB -0.340 29.909 30.300 -0.086 0.000 0.854 422 R HN 0.460 nan 8.270 nan 0.000 0.436 423 L N -0.669 120.509 121.223 -0.075 0.000 2.769 423 L HA 0.285 4.618 4.340 -0.011 0.000 0.240 423 L C 0.938 177.811 176.870 0.006 0.000 1.163 423 L CA 0.336 55.152 54.840 -0.039 0.000 0.962 423 L CB 0.896 42.924 42.059 -0.052 0.000 1.258 423 L HN 0.620 nan 8.230 nan 0.000 0.513 424 G N 0.142 108.944 108.800 0.004 0.000 2.184 424 G HA2 -0.182 3.772 3.960 -0.011 0.000 0.264 424 G HA3 -0.182 3.772 3.960 -0.011 0.000 0.264 424 G C 0.477 175.405 174.900 0.047 0.000 0.975 424 G CA 0.113 45.225 45.100 0.021 0.000 0.642 424 G HN 0.753 nan 8.290 nan 0.000 0.536 425 G N -1.764 107.082 108.800 0.076 0.000 2.324 425 G HA2 0.620 4.573 3.960 -0.011 0.000 0.293 425 G HA3 0.620 4.573 3.960 -0.011 0.000 0.293 425 G C -2.145 172.883 174.900 0.213 0.000 1.297 425 G CA 0.392 45.558 45.100 0.110 0.000 0.853 425 G HN 0.398 nan 8.290 nan 0.000 0.535 426 P HA 0.096 nan 4.420 nan 0.000 0.245 426 P C 0.328 177.710 177.300 0.137 0.000 1.206 426 P CA 0.420 63.649 63.100 0.215 0.000 0.781 426 P CB 0.244 32.021 31.700 0.127 0.000 0.994 427 N N 0.397 119.153 118.700 0.094 0.000 2.327 427 N HA 0.062 4.795 4.740 -0.011 0.000 0.231 427 N C 1.071 176.462 175.510 -0.198 0.000 1.130 427 N CA -0.171 52.828 53.050 -0.084 0.000 0.845 427 N CB -0.674 37.773 38.487 -0.066 0.000 1.073 427 N HN 0.286 nan 8.380 nan 0.000 0.496 428 F N 0.765 120.699 119.950 -0.026 0.000 2.333 428 F HA -0.090 4.443 4.527 0.010 0.000 0.300 428 F C 2.249 177.987 175.800 -0.105 0.000 1.083 428 F CA 0.788 58.745 58.000 -0.072 0.000 1.395 428 F CB -0.700 38.272 39.000 -0.046 0.000 1.056 428 F HN 0.166 nan 8.300 nan 0.000 0.529 429 H N 0.489 119.129 119.070 -0.717 0.000 2.524 429 H HA 0.040 4.588 4.556 -0.013 0.000 0.282 429 H C 0.951 176.101 175.328 -0.297 0.000 1.016 429 H CA 1.367 57.091 56.048 -0.541 0.000 1.270 429 H CB -0.808 28.511 29.762 -0.738 0.000 1.394 429 H HN 0.523 nan 8.280 nan 0.000 0.568 430 E N 0.976 120.734 120.200 -0.738 0.000 2.435 430 E HA 0.152 4.496 4.350 -0.011 0.000 0.195 430 E C 0.352 176.837 176.600 -0.192 0.000 1.029 430 E CA -0.209 55.946 56.400 -0.409 0.000 0.865 430 E CB 0.408 29.882 29.700 -0.377 0.000 0.833 430 E HN 0.447 nan 8.360 nan 0.000 0.510 431 I N 2.776 123.250 120.570 -0.160 0.000 2.587 431 I HA -0.037 4.127 4.170 -0.011 0.000 0.284 431 I C -1.542 174.511 176.117 -0.107 0.000 1.134 431 I CA -1.599 59.639 61.300 -0.102 0.000 1.410 431 I CB 0.561 38.511 38.000 -0.082 0.000 1.392 431 I HN -0.203 nan 8.210 nan 0.000 0.545 432 P HA -0.293 nan 4.420 nan 0.000 0.221 432 P C 1.710 178.929 177.300 -0.135 0.000 1.160 432 P CA 1.542 64.580 63.100 -0.102 0.000 0.933 432 P CB 0.149 31.797 31.700 -0.087 0.000 0.793 433 I N -1.065 119.398 120.570 -0.179 0.000 2.361 433 I HA -0.186 3.978 4.170 -0.011 0.000 0.251 433 I C 1.434 177.464 176.117 -0.144 0.000 1.133 433 I CA 1.656 62.798 61.300 -0.262 0.000 1.413 433 I CB -0.773 36.955 38.000 -0.453 0.000 1.073 433 I HN -0.092 nan 8.210 nan 0.000 0.424 434 N N 0.577 119.210 118.700 -0.112 0.000 2.446 434 N HA 0.019 4.752 4.740 -0.011 0.000 0.179 434 N C 0.368 175.870 175.510 -0.013 0.000 1.054 434 N CA 0.257 53.269 53.050 -0.063 0.000 0.905 434 N CB -0.150 38.314 38.487 -0.038 0.000 0.973 434 N HN 0.351 nan 8.380 nan 0.000 0.448 435 R N 1.695 122.181 120.500 -0.023 0.000 2.522 435 R HA 0.120 4.454 4.340 -0.011 0.000 0.284 435 R C -2.219 174.127 176.300 0.077 0.000 1.032 435 R CA -1.151 54.943 56.100 -0.011 0.000 1.049 435 R CB -0.082 30.197 30.300 -0.035 0.000 0.956 435 R HN 0.047 nan 8.270 nan 0.000 0.422 436 P HA -0.026 nan 4.420 nan 0.000 0.269 436 P C 0.584 177.947 177.300 0.105 0.000 1.209 436 P CA 0.081 63.250 63.100 0.115 0.000 0.776 436 P CB 0.709 32.440 31.700 0.053 0.000 0.876 437 T N -2.268 112.361 114.554 0.124 0.000 3.057 437 T HA 0.033 4.376 4.350 -0.011 0.000 0.254 437 T C 0.940 175.680 174.700 0.067 0.000 1.094 437 T CA 0.104 62.236 62.100 0.053 0.000 1.088 437 T CB -0.956 67.932 68.868 0.033 0.000 0.934 437 T HN 0.584 nan 8.240 nan 0.000 0.497 438 C N 1.597 120.953 119.300 0.093 0.000 2.403 438 C HA 0.737 5.191 4.460 -0.011 0.000 0.361 438 C C -2.405 172.646 174.990 0.101 0.000 1.274 438 C CA -2.542 56.532 59.018 0.092 0.000 2.433 438 C CB -0.006 27.794 27.740 0.100 0.000 2.323 438 C HN 0.189 nan 8.230 nan 0.000 0.614 439 P HA 0.268 nan 4.420 nan 0.000 0.268 439 P C -1.182 176.214 177.300 0.161 0.000 1.205 439 P CA 0.526 63.708 63.100 0.137 0.000 0.771 439 P CB -0.067 31.749 31.700 0.193 0.000 0.858 440 Y N 1.052 121.288 120.300 -0.106 0.000 2.386 440 Y HA 0.663 5.209 4.550 -0.006 0.000 0.334 440 Y C -1.451 174.179 175.900 -0.449 0.000 1.002 440 Y CA -0.950 57.059 58.100 -0.151 0.000 1.068 440 Y CB 1.470 39.849 38.460 -0.134 0.000 1.203 440 Y HN 0.425 nan 8.280 nan 0.000 0.443 441 H N 3.817 122.792 119.070 -0.159 0.000 2.947 441 H HA 0.535 5.085 4.556 -0.010 0.000 0.354 441 H C -1.210 174.009 175.328 -0.181 0.000 1.085 441 H CA -0.763 55.113 56.048 -0.287 0.000 1.253 441 H CB 1.672 31.302 29.762 -0.221 0.000 1.757 441 H HN 0.901 nan 8.280 nan 0.000 0.523 442 N N 0.350 118.944 118.700 -0.177 0.000 3.387 442 N HA 0.167 4.901 4.740 -0.011 0.000 0.294 442 N C -1.213 174.077 175.510 -0.367 0.000 1.519 442 N CA -0.904 52.002 53.050 -0.239 0.000 0.875 442 N CB 0.606 39.111 38.487 0.029 0.000 1.657 442 N HN 0.274 nan 8.380 nan 0.000 0.527 443 F N -0.396 119.599 119.950 0.075 0.000 2.664 443 F HA 0.356 4.875 4.527 -0.012 0.000 0.303 443 F C 0.466 176.311 175.800 0.076 0.000 1.092 443 F CA -0.349 57.690 58.000 0.065 0.000 1.305 443 F CB 0.079 39.112 39.000 0.055 0.000 1.054 443 F HN 0.150 nan 8.300 nan 0.000 0.565 444 Q N 1.846 121.755 119.800 0.183 0.000 2.337 444 Q HA 0.354 4.688 4.340 -0.011 0.000 0.270 444 Q C 0.099 176.176 176.000 0.129 0.000 1.002 444 Q CA 0.148 56.038 55.803 0.145 0.000 0.888 444 Q CB 0.939 29.742 28.738 0.108 0.000 1.222 444 Q HN 0.135 nan 8.270 nan 0.000 0.400 445 R N 1.654 122.224 120.500 0.116 0.000 2.817 445 R HA 0.355 4.689 4.340 -0.011 0.000 0.268 445 R C -0.605 175.745 176.300 0.083 0.000 1.027 445 R CA -0.723 55.435 56.100 0.098 0.000 0.928 445 R CB 1.033 31.391 30.300 0.097 0.000 1.228 445 R HN 0.698 nan 8.270 nan 0.000 0.469 446 D N -0.220 120.221 120.400 0.068 0.000 3.395 446 D HA -0.170 4.464 4.640 -0.011 0.000 0.238 446 D C 0.348 176.685 176.300 0.062 0.000 1.741 446 D CA 2.162 56.196 54.000 0.056 0.000 1.135 446 D CB -0.961 39.871 40.800 0.052 0.000 0.767 446 D HN 0.920 nan 8.370 nan 0.000 0.934 447 G N -1.535 107.299 108.800 0.057 0.000 2.675 447 G HA2 0.270 4.223 3.960 -0.011 0.000 0.686 447 G HA3 0.270 4.223 3.960 -0.011 0.000 0.686 447 G C -0.314 174.624 174.900 0.063 0.000 1.215 447 G CA -0.004 45.135 45.100 0.064 0.000 0.777 447 G HN 0.791 nan 8.290 nan 0.000 0.638 448 M N 1.382 121.024 119.600 0.070 0.000 2.245 448 M HA 0.434 4.908 4.480 -0.011 0.000 0.335 448 M C 1.088 177.468 176.300 0.134 0.000 1.155 448 M CA 1.314 56.665 55.300 0.084 0.000 1.055 448 M CB -0.575 32.073 32.600 0.080 0.000 1.670 448 M HN 1.663 nan 8.290 nan 0.000 0.447 449 H N 1.015 120.089 119.070 0.007 0.000 2.604 449 H HA -0.190 4.360 4.556 -0.010 0.000 0.321 449 H C -0.709 174.611 175.328 -0.013 0.000 1.132 449 H CA 0.827 56.875 56.048 -0.001 0.000 1.129 449 H CB -0.656 29.107 29.762 0.002 0.000 1.526 449 H HN 0.651 nan 8.280 nan 0.000 0.415 450 R N 1.509 122.022 120.500 0.021 0.000 2.370 450 R HA 0.066 4.399 4.340 -0.011 0.000 0.309 450 R C 0.916 177.194 176.300 -0.036 0.000 1.059 450 R CA 0.073 56.176 56.100 0.006 0.000 0.981 450 R CB 0.291 30.597 30.300 0.010 0.000 0.972 450 R HN 0.409 nan 8.270 nan 0.000 0.437 451 M N 2.641 122.231 119.600 -0.016 0.000 2.412 451 M HA 0.220 4.693 4.480 -0.011 0.000 0.263 451 M C 0.952 177.234 176.300 -0.029 0.000 1.122 451 M CA 0.950 56.233 55.300 -0.027 0.000 1.179 451 M CB -0.768 31.830 32.600 -0.004 0.000 1.335 451 M HN 0.715 nan 8.290 nan 0.000 0.465 452 G N 1.963 110.753 108.800 -0.018 0.000 2.340 452 G HA2 0.378 4.331 3.960 -0.011 0.000 0.245 452 G HA3 0.378 4.331 3.960 -0.011 0.000 0.245 452 G C -0.353 174.531 174.900 -0.027 0.000 1.294 452 G CA -0.357 44.727 45.100 -0.026 0.000 0.896 452 G HN 0.323 nan 8.290 nan 0.000 0.522 453 I N 2.751 123.299 120.570 -0.037 0.000 2.337 453 I HA 0.106 4.270 4.170 -0.011 0.000 0.285 453 I C -0.293 175.805 176.117 -0.031 0.000 1.041 453 I CA -0.572 60.711 61.300 -0.027 0.000 1.199 453 I CB 1.031 39.016 38.000 -0.026 0.000 1.370 453 I HN 0.365 nan 8.210 nan 0.000 0.470 454 D N 4.909 125.296 120.400 -0.022 0.000 2.383 454 D HA 0.042 4.675 4.640 -0.011 0.000 0.252 454 D C 1.245 177.541 176.300 -0.007 0.000 1.166 454 D CA 0.291 54.277 54.000 -0.024 0.000 0.879 454 D CB 1.773 42.567 40.800 -0.010 0.000 1.164 454 D HN 0.574 nan 8.370 nan 0.000 0.462 455 T N -0.610 113.937 114.554 -0.012 0.000 3.060 455 T HA -0.068 4.275 4.350 -0.011 0.000 0.249 455 T C 0.841 175.547 174.700 0.010 0.000 1.079 455 T CA -0.520 61.579 62.100 -0.002 0.000 1.013 455 T CB 0.153 69.015 68.868 -0.011 0.000 0.975 455 T HN 0.109 nan 8.240 nan 0.000 0.518 456 N N 3.342 122.050 118.700 0.012 0.000 2.411 456 N HA 0.100 4.834 4.740 -0.011 0.000 0.261 456 N C -1.627 173.918 175.510 0.058 0.000 1.248 456 N CA -1.607 51.462 53.050 0.033 0.000 0.885 456 N CB 1.461 39.965 38.487 0.028 0.000 1.062 456 N HN 0.065 nan 8.380 nan 0.000 0.471 457 P HA -0.041 nan 4.420 nan 0.000 0.218 457 P C -0.505 176.854 177.300 0.098 0.000 1.148 457 P CA 1.049 64.192 63.100 0.072 0.000 0.822 457 P CB 0.200 31.938 31.700 0.064 0.000 0.784 458 A N 0.398 123.264 122.820 0.077 0.000 2.312 458 A HA 0.452 4.765 4.320 -0.011 0.000 0.328 458 A C 0.418 178.104 177.584 0.170 0.000 1.158 458 A CA -0.643 51.402 52.037 0.013 0.000 0.821 458 A CB 0.182 19.006 19.000 -0.292 0.000 1.170 458 A HN 0.275 nan 8.150 nan 0.000 0.490 459 N N -0.325 118.527 118.700 0.253 0.000 2.299 459 N HA 0.345 5.079 4.740 -0.011 0.000 0.246 459 N C -0.868 174.849 175.510 0.344 0.000 1.254 459 N CA -0.343 52.929 53.050 0.369 0.000 0.879 459 N CB 0.380 39.031 38.487 0.275 0.000 1.214 459 N HN 0.686 nan 8.380 nan 0.000 0.510 460 Y N -0.851 119.410 120.300 -0.065 0.000 2.597 460 Y HA 0.707 5.250 4.550 -0.012 0.000 0.340 460 Y C -1.486 173.871 175.900 -0.905 0.000 1.097 460 Y CA -1.352 56.511 58.100 -0.395 0.000 1.037 460 Y CB 1.111 39.468 38.460 -0.172 0.000 1.305 460 Y HN 0.056 nan 8.280 nan 0.000 0.463 461 E N 0.884 120.626 120.200 -0.763 0.000 2.356 461 E HA 0.638 4.982 4.350 -0.011 0.000 0.275 461 E C -3.205 173.273 176.600 -0.204 0.000 0.904 461 E CA -1.991 54.020 56.400 -0.649 0.000 0.757 461 E CB 1.602 30.784 29.700 -0.863 0.000 1.232 461 E HN 0.554 nan 8.360 nan 0.000 0.442 462 P HA 0.294 nan 4.420 nan 0.000 0.275 462 P C -1.217 176.027 177.300 -0.092 0.000 1.228 462 P CA -0.384 62.640 63.100 -0.127 0.000 0.786 462 P CB 0.438 32.101 31.700 -0.062 0.000 0.927 463 N N -1.503 117.076 118.700 -0.201 0.000 2.284 463 N HA 0.390 5.124 4.740 -0.011 0.000 0.289 463 N C 0.184 175.642 175.510 -0.086 0.000 1.179 463 N CA -0.724 52.211 53.050 -0.192 0.000 0.774 463 N CB 1.440 39.536 38.487 -0.652 0.000 1.548 463 N HN 0.190 nan 8.380 nan 0.000 0.473 464 S N 0.445 116.140 115.700 -0.007 0.000 2.506 464 S HA 0.022 4.486 4.470 -0.011 0.000 0.219 464 S C 1.544 176.157 174.600 0.021 0.000 1.031 464 S CA -0.036 58.166 58.200 0.002 0.000 0.911 464 S CB -0.767 62.446 63.200 0.022 0.000 0.812 464 S HN 0.699 nan 8.310 nan 0.000 0.497 465 I N -0.450 120.141 120.570 0.034 0.000 2.614 465 I HA 0.182 4.346 4.170 -0.011 0.000 0.258 465 I C 1.389 177.538 176.117 0.053 0.000 1.189 465 I CA 1.431 62.762 61.300 0.052 0.000 1.462 465 I CB -0.413 37.637 38.000 0.084 0.000 1.092 465 I HN 0.200 nan 8.210 nan 0.000 0.442 466 N N 1.020 119.750 118.700 0.049 0.000 2.282 466 N HA 0.032 4.765 4.740 -0.011 0.000 0.240 466 N C -0.085 175.539 175.510 0.190 0.000 1.182 466 N CA 0.004 53.125 53.050 0.119 0.000 0.874 466 N CB 0.020 38.589 38.487 0.138 0.000 1.126 466 N HN 0.229 nan 8.380 nan 0.000 0.516 467 D N 0.611 121.067 120.400 0.092 0.000 2.772 467 D HA -0.253 4.381 4.640 -0.011 0.000 0.233 467 D C -0.094 176.090 176.300 -0.193 0.000 1.143 467 D CA 1.041 55.057 54.000 0.027 0.000 0.700 467 D CB -1.414 39.486 40.800 0.167 0.000 1.076 467 D HN 0.460 nan 8.370 nan 0.000 0.430 468 N N -1.751 116.862 118.700 -0.145 0.000 2.828 468 N HA -0.243 4.491 4.740 -0.011 0.000 0.248 468 N C -0.766 174.659 175.510 -0.142 0.000 1.044 468 N CA 1.426 54.361 53.050 -0.193 0.000 0.851 468 N CB -1.336 36.984 38.487 -0.278 0.000 1.136 468 N HN 0.540 nan 8.380 nan 0.000 0.572 469 W N 1.176 122.528 121.300 0.087 0.000 2.313 469 W HA 0.439 5.092 4.660 -0.012 0.000 0.328 469 W C -1.649 174.903 176.519 0.055 0.000 1.197 469 W CA -1.653 55.724 57.345 0.055 0.000 1.235 469 W CB 0.497 29.940 29.460 -0.030 0.000 1.158 469 W HN -0.039 nan 8.180 nan 0.000 0.578 470 P HA 0.138 nan 4.420 nan 0.000 0.271 470 P C -0.701 176.744 177.300 0.242 0.000 1.216 470 P CA 0.022 63.252 63.100 0.217 0.000 0.776 470 P CB 0.842 32.520 31.700 -0.037 0.000 0.881 471 R N 1.441 122.070 120.500 0.216 0.000 2.598 471 R HA 0.344 4.677 4.340 -0.011 0.000 0.279 471 R C 0.399 176.739 176.300 0.067 0.000 0.984 471 R CA -0.874 55.226 56.100 -0.000 0.000 0.999 471 R CB 1.022 31.102 30.300 -0.367 0.000 1.114 471 R HN 0.474 nan 8.270 nan 0.000 0.493 472 E N 0.743 120.968 120.200 0.043 0.000 2.436 472 E HA 0.005 4.349 4.350 -0.011 0.000 0.262 472 E C -0.548 176.078 176.600 0.043 0.000 1.063 472 E CA 0.755 57.189 56.400 0.056 0.000 0.944 472 E CB 0.618 30.338 29.700 0.034 0.000 0.950 472 E HN 0.380 nan 8.360 nan 0.000 0.444 473 T N 3.506 118.096 114.554 0.059 0.000 2.879 473 T HA 0.326 4.670 4.350 -0.011 0.000 0.290 473 T C -2.503 172.221 174.700 0.041 0.000 0.993 473 T CA -1.566 60.566 62.100 0.053 0.000 0.975 473 T CB 1.472 70.384 68.868 0.073 0.000 0.981 473 T HN 0.239 nan 8.240 nan 0.000 0.439 474 P HA 0.239 nan 4.420 nan 0.000 0.269 474 P C -2.506 174.799 177.300 0.008 0.000 1.209 474 P CA -1.303 61.804 63.100 0.011 0.000 0.776 474 P CB -0.504 31.197 31.700 0.002 0.000 0.876 475 P HA 0.252 nan 4.420 nan 0.000 0.267 475 P C 0.111 177.398 177.300 -0.021 0.000 1.200 475 P CA 0.495 63.578 63.100 -0.029 0.000 0.772 475 P CB 0.518 32.177 31.700 -0.069 0.000 0.855 476 G N 1.501 110.289 108.800 -0.020 0.000 2.550 476 G HA2 0.401 4.355 3.960 -0.011 0.000 0.293 476 G HA3 0.401 4.355 3.960 -0.011 0.000 0.293 476 G C -2.499 172.393 174.900 -0.013 0.000 1.402 476 G CA -0.776 44.316 45.100 -0.013 0.000 0.784 476 G HN 0.149 nan 8.290 nan 0.000 0.482 477 P HA 0.020 nan 4.420 nan 0.000 0.218 477 P C 0.305 177.603 177.300 -0.002 0.000 1.149 477 P CA 1.282 64.376 63.100 -0.010 0.000 0.817 477 P CB 0.361 32.057 31.700 -0.007 0.000 0.785 478 K N -1.348 119.057 120.400 0.008 0.000 2.542 478 K HA 0.309 4.623 4.320 -0.011 0.000 0.259 478 K C -0.325 176.293 176.600 0.031 0.000 0.932 478 K CA -0.728 55.571 56.287 0.020 0.000 0.820 478 K CB 1.215 33.727 32.500 0.020 0.000 1.345 478 K HN -0.387 nan 8.250 nan 0.000 0.432 479 R N 0.003 120.529 120.500 0.044 0.000 3.627 479 R HA -0.148 4.185 4.340 -0.011 0.000 0.281 479 R C -0.173 176.160 176.300 0.054 0.000 1.140 479 R CA 1.105 57.238 56.100 0.054 0.000 0.761 479 R CB -2.348 27.983 30.300 0.050 0.000 1.181 479 R HN 0.849 nan 8.270 nan 0.000 0.472 480 G N -1.054 107.774 108.800 0.047 0.000 2.491 480 G HA2 0.644 4.597 3.960 -0.011 0.000 0.327 480 G HA3 0.644 4.597 3.960 -0.011 0.000 0.327 480 G C 0.350 175.287 174.900 0.063 0.000 1.189 480 G CA 0.042 45.167 45.100 0.042 0.000 0.956 480 G HN 0.261 nan 8.290 nan 0.000 0.491 481 G N -1.297 107.541 108.800 0.063 0.000 2.572 481 G HA2 0.412 4.366 3.960 -0.011 0.000 0.261 481 G HA3 0.412 4.366 3.960 -0.011 0.000 0.261 481 G C -0.720 174.241 174.900 0.102 0.000 1.197 481 G CA -0.567 44.594 45.100 0.102 0.000 0.870 481 G HN 0.455 nan 8.290 nan 0.000 0.548 482 F N 0.261 120.229 119.950 0.030 0.000 2.467 482 F HA 0.400 4.923 4.527 -0.005 0.000 0.362 482 F C 0.505 176.319 175.800 0.024 0.000 1.090 482 F CA -0.223 57.789 58.000 0.021 0.000 1.202 482 F CB 0.900 39.916 39.000 0.027 0.000 1.113 482 F HN 0.424 nan 8.300 nan 0.000 0.541 483 E N 4.249 124.043 120.200 -0.676 0.000 2.263 483 E HA 0.286 4.630 4.350 -0.011 0.000 0.268 483 E C -1.148 175.091 176.600 -0.602 0.000 0.884 483 E CA -0.728 55.430 56.400 -0.404 0.000 0.766 483 E CB 1.515 31.090 29.700 -0.207 0.000 1.196 483 E HN 0.616 nan 8.360 nan 0.000 0.416 484 S N 2.667 118.213 115.700 -0.257 0.000 2.562 484 S HA -0.011 4.453 4.470 -0.011 0.000 0.281 484 S C -0.503 174.056 174.600 -0.068 0.000 1.333 484 S CA -0.295 57.847 58.200 -0.097 0.000 1.052 484 S CB 0.104 63.384 63.200 0.133 0.000 0.884 484 S HN 0.476 nan 8.310 nan 0.000 0.506 485 Y N 2.680 122.906 120.300 -0.123 0.000 2.717 485 Y HA -0.033 4.510 4.550 -0.012 0.000 0.330 485 Y C 0.887 176.763 175.900 -0.041 0.000 1.217 485 Y CA 0.248 58.291 58.100 -0.095 0.000 1.506 485 Y CB 0.170 38.576 38.460 -0.090 0.000 1.268 485 Y HN 0.583 nan 8.280 nan 0.000 0.561 486 Q N 5.330 124.749 119.800 -0.635 0.000 3.254 486 Q HA 0.006 4.340 4.340 -0.011 0.000 0.315 486 Q C -0.200 175.542 176.000 -0.431 0.000 1.405 486 Q CA -0.017 55.536 55.803 -0.415 0.000 0.966 486 Q CB -0.223 28.327 28.738 -0.314 0.000 1.706 486 Q HN 0.648 nan 8.270 nan 0.000 0.525 487 E N 1.447 121.515 120.200 -0.221 0.000 2.452 487 E HA -0.030 4.313 4.350 -0.011 0.000 0.261 487 E C -0.242 176.365 176.600 0.012 0.000 0.987 487 E CA -0.332 56.080 56.400 0.020 0.000 0.926 487 E CB 0.615 30.443 29.700 0.213 0.000 0.934 487 E HN 0.127 nan 8.360 nan 0.000 0.452 488 R N 3.228 123.752 120.500 0.040 0.000 2.298 488 R HA 0.208 4.541 4.340 -0.011 0.000 0.310 488 R C -1.476 174.860 176.300 0.059 0.000 1.068 488 R CA -0.254 55.866 56.100 0.034 0.000 0.957 488 R CB 0.833 31.156 30.300 0.038 0.000 1.003 488 R HN 0.278 nan 8.270 nan 0.000 0.454 489 V N 5.311 125.250 119.914 0.042 0.000 2.357 489 V HA 0.397 4.510 4.120 -0.011 0.000 0.284 489 V C -0.383 175.731 176.094 0.033 0.000 1.018 489 V CA -0.521 61.806 62.300 0.046 0.000 0.841 489 V CB 1.414 33.262 31.823 0.041 0.000 0.991 489 V HN 0.799 nan 8.190 nan 0.000 0.437 490 E N 3.129 123.350 120.200 0.035 0.000 2.260 490 E HA 0.727 5.071 4.350 -0.011 0.000 0.266 490 E C -0.037 176.572 176.600 0.016 0.000 0.887 490 E CA -0.456 55.957 56.400 0.022 0.000 0.777 490 E CB 2.471 32.184 29.700 0.022 0.000 1.205 490 E HN 0.956 nan 8.360 nan 0.000 0.414 491 G N 2.468 111.272 108.800 0.007 0.000 2.336 491 G HA2 0.055 4.009 3.960 -0.011 0.000 0.300 491 G HA3 0.055 4.009 3.960 -0.011 0.000 0.300 491 G C -1.510 173.388 174.900 -0.005 0.000 1.375 491 G CA -1.087 44.013 45.100 0.000 0.000 0.885 491 G HN 0.407 nan 8.290 nan 0.000 0.599 492 N N -0.039 118.654 118.700 -0.011 0.000 2.489 492 N HA 0.456 5.189 4.740 -0.011 0.000 0.284 492 N C -0.219 175.280 175.510 -0.018 0.000 1.158 492 N CA -0.673 52.370 53.050 -0.013 0.000 0.965 492 N CB 1.121 39.599 38.487 -0.015 0.000 1.195 492 N HN 0.435 nan 8.380 nan 0.000 0.506 493 K N 1.246 121.636 120.400 -0.018 0.000 2.307 493 K HA 0.151 4.464 4.320 -0.011 0.000 0.285 493 K C -0.758 175.824 176.600 -0.031 0.000 1.073 493 K CA -0.088 56.184 56.287 -0.023 0.000 0.996 493 K CB -0.349 32.138 32.500 -0.021 0.000 0.994 493 K HN 0.346 nan 8.250 nan 0.000 0.452 494 V N 0.248 120.138 119.914 -0.039 0.000 2.841 494 V HA 0.457 4.570 4.120 -0.011 0.000 0.310 494 V C -0.526 175.530 176.094 -0.063 0.000 1.090 494 V CA -1.322 60.950 62.300 -0.047 0.000 0.930 494 V CB 2.004 33.801 31.823 -0.043 0.000 1.014 494 V HN 0.600 nan 8.190 nan 0.000 0.425 495 R N 2.625 123.083 120.500 -0.070 0.000 2.522 495 R HA 0.564 4.897 4.340 -0.011 0.000 0.290 495 R C -0.385 175.865 176.300 -0.084 0.000 1.216 495 R CA -0.087 55.958 56.100 -0.093 0.000 1.250 495 R CB 0.575 30.807 30.300 -0.113 0.000 1.143 495 R HN 0.939 nan 8.270 nan 0.000 0.553 496 E N 2.016 122.163 120.200 -0.088 0.000 2.335 496 E HA 0.227 4.571 4.350 -0.011 0.000 0.280 496 E C -1.261 175.270 176.600 -0.115 0.000 0.918 496 E CA -1.027 55.324 56.400 -0.082 0.000 0.765 496 E CB 1.568 31.229 29.700 -0.065 0.000 1.218 496 E HN 0.111 nan 8.360 nan 0.000 0.425 497 R N 1.546 121.980 120.500 -0.109 0.000 2.490 497 R HA 0.207 4.540 4.340 -0.011 0.000 0.280 497 R C -0.536 175.650 176.300 -0.191 0.000 1.077 497 R CA 0.109 56.105 56.100 -0.173 0.000 1.065 497 R CB 1.195 31.447 30.300 -0.080 0.000 1.003 497 R HN 0.392 nan 8.270 nan 0.000 0.470 498 S N 4.833 120.313 115.700 -0.365 0.000 2.531 498 S HA 0.164 4.628 4.470 -0.011 0.000 0.279 498 S C -1.568 173.010 174.600 -0.036 0.000 1.305 498 S CA -1.347 56.730 58.200 -0.204 0.000 1.058 498 S CB 0.731 63.778 63.200 -0.254 0.000 0.899 498 S HN 0.536 nan 8.310 nan 0.000 0.493 499 P HA -0.158 nan 4.420 nan 0.000 0.217 499 P C 1.668 179.016 177.300 0.080 0.000 1.151 499 P CA 1.605 64.726 63.100 0.035 0.000 0.849 499 P CB -0.171 31.539 31.700 0.018 0.000 0.787 500 S N -1.720 114.065 115.700 0.141 0.000 2.419 500 S HA -0.178 4.286 4.470 -0.011 0.000 0.235 500 S C 1.610 176.349 174.600 0.232 0.000 1.019 500 S CA 1.169 59.478 58.200 0.182 0.000 0.982 500 S CB -1.614 61.730 63.200 0.239 0.000 0.789 500 S HN -0.014 nan 8.310 nan 0.000 0.490 501 F N 2.469 122.401 119.950 -0.028 0.000 2.661 501 F HA 0.334 4.853 4.527 -0.013 0.000 0.298 501 F C 2.113 177.824 175.800 -0.149 0.000 1.137 501 F CA -0.606 57.367 58.000 -0.047 0.000 1.454 501 F CB -0.946 38.060 39.000 0.010 0.000 1.103 501 F HN 0.350 nan 8.300 nan 0.000 0.577 502 G N 0.582 109.376 108.800 -0.011 0.000 3.325 502 G HA2 0.027 3.980 3.960 -0.011 0.000 0.242 502 G HA3 0.027 3.980 3.960 -0.011 0.000 0.242 502 G C 0.058 174.527 174.900 -0.718 0.000 1.120 502 G CA 0.176 45.090 45.100 -0.311 0.000 1.778 502 G HN 0.076 nan 8.290 nan 0.000 0.610 503 E N 0.037 119.711 120.200 -0.877 0.000 2.260 503 E HA 0.296 4.639 4.350 -0.011 0.000 0.266 503 E C -0.869 175.271 176.600 -0.767 0.000 0.887 503 E CA -0.779 55.197 56.400 -0.708 0.000 0.777 503 E CB 1.382 30.923 29.700 -0.265 0.000 1.205 503 E HN 0.223 nan 8.360 nan 0.000 0.414 504 Y N 2.707 122.779 120.300 -0.380 0.000 2.453 504 Y HA 0.190 4.733 4.550 -0.011 0.000 0.247 504 Y C 0.741 176.325 175.900 -0.528 0.000 1.124 504 Y CA -0.096 57.687 58.100 -0.527 0.000 1.243 504 Y CB 0.377 38.368 38.460 -0.781 0.000 1.213 504 Y HN 0.427 nan 8.280 nan 0.000 0.523 505 Y N -1.292 119.094 120.300 0.143 0.000 2.535 505 Y HA 0.059 4.603 4.550 -0.009 0.000 0.264 505 Y C 2.462 178.419 175.900 0.096 0.000 1.087 505 Y CA 0.172 58.347 58.100 0.125 0.000 1.285 505 Y CB -0.528 38.012 38.460 0.134 0.000 1.200 505 Y HN 0.061 nan 8.280 nan 0.000 0.514 506 S N -0.394 115.430 115.700 0.208 0.000 2.382 506 S HA -0.236 4.227 4.470 -0.011 0.000 0.228 506 S C 1.501 176.171 174.600 0.117 0.000 1.027 506 S CA 1.851 60.156 58.200 0.174 0.000 0.991 506 S CB -0.627 62.682 63.200 0.182 0.000 0.823 506 S HN 0.449 nan 8.310 nan 0.000 0.469 507 H N 2.924 121.888 119.070 -0.176 0.000 2.333 507 H HA 0.174 4.724 4.556 -0.010 0.000 0.302 507 H C -0.586 174.538 175.328 -0.340 0.000 1.075 507 H CA 1.375 57.154 56.048 -0.448 0.000 1.348 507 H CB -1.759 27.470 29.762 -0.889 0.000 1.393 507 H HN 0.380 nan 8.280 nan 0.000 0.509 508 P HA -0.201 nan 4.420 nan 0.000 0.216 508 P C 1.508 178.994 177.300 0.310 0.000 1.157 508 P CA 1.796 65.048 63.100 0.253 0.000 0.880 508 P CB 0.070 31.939 31.700 0.282 0.000 0.791 509 R N -0.526 120.107 120.500 0.222 0.000 2.081 509 R HA -0.150 4.184 4.340 -0.011 0.000 0.235 509 R C 2.214 178.645 176.300 0.219 0.000 1.131 509 R CA 1.291 57.527 56.100 0.226 0.000 0.960 509 R CB -1.096 29.298 30.300 0.157 0.000 0.856 509 R HN 0.063 nan 8.270 nan 0.000 0.436 510 L N 0.401 121.695 121.223 0.118 0.000 2.012 510 L HA -0.151 4.183 4.340 -0.011 0.000 0.210 510 L C 2.000 178.926 176.870 0.093 0.000 1.073 510 L CA 1.795 56.667 54.840 0.053 0.000 0.748 510 L CB -0.769 41.247 42.059 -0.073 0.000 0.891 510 L HN 0.246 nan 8.230 nan 0.000 0.431 511 F N -0.703 119.279 119.950 0.053 0.000 2.075 511 F HA -0.283 4.239 4.527 -0.008 0.000 0.297 511 F C 2.341 178.139 175.800 -0.004 0.000 1.113 511 F CA 2.221 60.233 58.000 0.021 0.000 1.218 511 F CB -0.660 38.399 39.000 0.097 0.000 0.984 511 F HN 0.401 nan 8.300 nan 0.000 0.472 512 W N 1.499 122.796 121.300 -0.006 0.000 2.333 512 W HA -0.255 4.398 4.660 -0.011 0.000 0.316 512 W C 1.800 178.193 176.519 -0.210 0.000 1.215 512 W CA 1.908 59.184 57.345 -0.116 0.000 1.278 512 W CB -0.818 28.668 29.460 0.043 0.000 1.154 512 W HN 0.098 nan 8.180 nan 0.000 0.486 513 L N 1.147 122.283 121.223 -0.144 0.000 2.275 513 L HA -0.168 4.166 4.340 -0.011 0.000 0.215 513 L C 2.348 179.021 176.870 -0.328 0.000 1.119 513 L CA 1.157 55.847 54.840 -0.250 0.000 0.790 513 L CB -0.727 41.313 42.059 -0.032 0.000 0.919 513 L HN -0.130 nan 8.230 nan 0.000 0.443 514 S N -1.407 114.083 115.700 -0.350 0.000 2.558 514 S HA 0.042 4.506 4.470 -0.011 0.000 0.217 514 S C 0.723 175.032 174.600 -0.484 0.000 0.975 514 S CA 0.097 58.089 58.200 -0.346 0.000 0.912 514 S CB 0.014 63.050 63.200 -0.272 0.000 0.776 514 S HN 0.299 nan 8.310 nan 0.000 0.526 515 Q N 2.114 121.515 119.800 -0.665 0.000 2.260 515 Q HA 0.286 4.619 4.340 -0.011 0.000 0.242 515 Q C 0.645 176.252 176.000 -0.655 0.000 0.932 515 Q CA -0.114 55.263 55.803 -0.711 0.000 0.891 515 Q CB 0.370 28.610 28.738 -0.829 0.000 1.222 515 Q HN 0.415 nan 8.270 nan 0.000 0.453 516 T N -1.932 112.195 114.554 -0.712 0.000 2.766 516 T HA 0.152 4.496 4.350 -0.011 0.000 0.295 516 T C -1.733 172.505 174.700 -0.770 0.000 1.024 516 T CA -1.301 60.350 62.100 -0.748 0.000 1.018 516 T CB 0.283 68.496 68.868 -1.092 0.000 1.002 516 T HN 0.222 nan 8.240 nan 0.000 0.532 517 P HA -0.044 nan 4.420 nan 0.000 0.215 517 P C 1.438 178.541 177.300 -0.328 0.000 1.153 517 P CA 1.146 64.032 63.100 -0.357 0.000 0.853 517 P CB -0.269 31.337 31.700 -0.156 0.000 0.788 518 F N -0.200 119.564 119.950 -0.311 0.000 2.259 518 F HA 0.048 4.569 4.527 -0.011 0.000 0.298 518 F C 1.871 177.319 175.800 -0.587 0.000 1.088 518 F CA 0.864 58.619 58.000 -0.409 0.000 1.358 518 F CB -1.453 37.303 39.000 -0.407 0.000 1.040 518 F HN -0.110 nan 8.300 nan 0.000 0.505 519 E N 0.532 120.165 120.200 -0.944 0.000 2.106 519 E HA -0.197 4.147 4.350 -0.011 0.000 0.192 519 E C 2.237 178.639 176.600 -0.331 0.000 0.984 519 E CA 1.311 57.365 56.400 -0.576 0.000 0.806 519 E CB -0.216 29.073 29.700 -0.686 0.000 0.750 519 E HN 0.627 nan 8.360 nan 0.000 0.458 520 Q N 0.248 119.771 119.800 -0.461 0.000 2.084 520 Q HA -0.212 4.122 4.340 -0.011 0.000 0.202 520 Q C 2.291 178.326 176.000 0.058 0.000 0.978 520 Q CA 1.401 56.968 55.803 -0.395 0.000 0.844 520 Q CB -0.226 27.994 28.738 -0.862 0.000 0.898 520 Q HN 0.138 nan 8.270 nan 0.000 0.426 521 R N 0.247 120.747 120.500 0.001 0.000 2.081 521 R HA -0.177 4.157 4.340 -0.011 0.000 0.235 521 R C 1.728 178.185 176.300 0.262 0.000 1.131 521 R CA 1.763 57.944 56.100 0.133 0.000 0.960 521 R CB -0.227 30.118 30.300 0.076 0.000 0.856 521 R HN 0.459 nan 8.270 nan 0.000 0.436 522 H N -0.385 118.781 119.070 0.160 0.000 2.423 522 H HA -0.032 4.518 4.556 -0.011 0.000 0.297 522 H C 2.135 177.580 175.328 0.196 0.000 1.075 522 H CA 1.203 57.359 56.048 0.181 0.000 1.342 522 H CB 0.071 29.948 29.762 0.192 0.000 1.395 522 H HN 0.225 nan 8.280 nan 0.000 0.530 523 I N 0.159 120.944 120.570 0.358 0.000 2.163 523 I HA -0.257 3.907 4.170 -0.011 0.000 0.240 523 I C 2.298 178.706 176.117 0.485 0.000 1.081 523 I CA 0.797 62.351 61.300 0.424 0.000 1.353 523 I CB -0.206 38.134 38.000 0.566 0.000 1.054 523 I HN 0.079 nan 8.210 nan 0.000 0.407 524 V N 1.117 121.300 119.914 0.448 0.000 2.282 524 V HA -0.354 3.760 4.120 -0.011 0.000 0.249 524 V C 2.104 178.368 176.094 0.283 0.000 1.057 524 V CA 2.248 64.751 62.300 0.338 0.000 1.032 524 V CB -0.743 31.241 31.823 0.268 0.000 0.645 524 V HN 0.435 nan 8.190 nan 0.000 0.447 525 D N 0.337 120.890 120.400 0.254 0.000 2.144 525 D HA -0.104 4.529 4.640 -0.011 0.000 0.199 525 D C 2.170 178.547 176.300 0.130 0.000 0.984 525 D CA 1.568 55.686 54.000 0.196 0.000 0.834 525 D CB -0.705 40.218 40.800 0.205 0.000 0.955 525 D HN 0.482 nan 8.370 nan 0.000 0.465 526 G N 0.325 109.186 108.800 0.102 0.000 2.480 526 G HA2 -0.278 3.676 3.960 -0.011 0.000 0.216 526 G HA3 -0.278 3.676 3.960 -0.011 0.000 0.216 526 G C 1.491 176.396 174.900 0.008 0.000 1.200 526 G CA 0.395 45.463 45.100 -0.053 0.000 0.782 526 G HN 0.172 nan 8.290 nan 0.000 0.554 527 F N 1.746 121.733 119.950 0.062 0.000 2.091 527 F HA -0.119 4.402 4.527 -0.010 0.000 0.299 527 F C 3.222 178.946 175.800 -0.128 0.000 1.103 527 F CA 1.718 59.691 58.000 -0.045 0.000 1.228 527 F CB -0.435 38.549 39.000 -0.026 0.000 0.984 527 F HN 0.094 nan 8.300 nan 0.000 0.477 528 S N -0.103 115.689 115.700 0.153 0.000 2.356 528 S HA -0.224 4.239 4.470 -0.011 0.000 0.223 528 S C 1.865 176.488 174.600 0.038 0.000 1.032 528 S CA 1.389 59.628 58.200 0.066 0.000 1.005 528 S CB -0.846 62.414 63.200 0.100 0.000 0.867 528 S HN 0.406 nan 8.310 nan 0.000 0.449 529 F N 2.637 122.545 119.950 -0.069 0.000 2.075 529 F HA -0.130 4.389 4.527 -0.012 0.000 0.297 529 F C 2.388 178.123 175.800 -0.108 0.000 1.113 529 F CA 1.587 59.533 58.000 -0.090 0.000 1.218 529 F CB -0.323 38.563 39.000 -0.191 0.000 0.984 529 F HN 0.116 nan 8.300 nan 0.000 0.472 530 E N 0.650 120.832 120.200 -0.030 0.000 2.058 530 E HA -0.226 4.118 4.350 -0.011 0.000 0.194 530 E C 2.362 178.770 176.600 -0.320 0.000 0.997 530 E CA 1.780 58.122 56.400 -0.098 0.000 0.801 530 E CB -0.614 29.157 29.700 0.118 0.000 0.746 530 E HN 0.486 nan 8.360 nan 0.000 0.450 531 L N 0.912 121.864 121.223 -0.452 0.000 2.201 531 L HA -0.115 4.219 4.340 -0.011 0.000 0.212 531 L C 2.513 179.223 176.870 -0.267 0.000 1.105 531 L CA 0.490 55.047 54.840 -0.471 0.000 0.775 531 L CB -0.220 41.576 42.059 -0.437 0.000 0.913 531 L HN 0.004 nan 8.230 nan 0.000 0.440 532 S N -0.016 115.543 115.700 -0.235 0.000 2.399 532 S HA -0.161 4.303 4.470 -0.011 0.000 0.231 532 S C 1.761 176.251 174.600 -0.183 0.000 1.022 532 S CA 1.261 59.349 58.200 -0.187 0.000 0.983 532 S CB -0.091 62.992 63.200 -0.196 0.000 0.803 532 S HN 0.416 nan 8.310 nan 0.000 0.480 533 K N 0.945 121.208 120.400 -0.229 0.000 2.487 533 K HA 0.129 4.442 4.320 -0.011 0.000 0.192 533 K C -0.229 176.362 176.600 -0.015 0.000 1.027 533 K CA 0.094 56.305 56.287 -0.126 0.000 1.054 533 K CB 0.218 32.627 32.500 -0.153 0.000 0.824 533 K HN 0.124 nan 8.250 nan 0.000 0.510 534 V N 2.023 121.910 119.914 -0.045 0.000 2.427 534 V HA -0.032 4.082 4.120 -0.011 0.000 0.268 534 V C 1.440 177.521 176.094 -0.022 0.000 1.046 534 V CA -0.023 62.278 62.300 0.000 0.000 0.970 534 V CB 1.331 33.123 31.823 -0.052 0.000 1.001 534 V HN -0.022 nan 8.190 nan 0.000 0.476 535 V N 5.093 125.017 119.914 0.016 0.000 2.453 535 V HA -0.029 4.084 4.120 -0.011 0.000 0.247 535 V C 1.316 177.400 176.094 -0.016 0.000 1.048 535 V CA 1.219 63.525 62.300 0.010 0.000 1.049 535 V CB -0.474 31.373 31.823 0.040 0.000 0.672 535 V HN 0.748 nan 8.190 nan 0.000 0.457 536 R N 0.880 121.347 120.500 -0.055 0.000 2.210 536 R HA 0.197 4.530 4.340 -0.011 0.000 0.338 536 R C -1.704 174.481 176.300 -0.191 0.000 1.062 536 R CA -1.472 54.570 56.100 -0.098 0.000 0.902 536 R CB 0.757 30.952 30.300 -0.176 0.000 1.050 536 R HN 0.227 nan 8.270 nan 0.000 0.461 537 P HA -0.206 nan 4.420 nan 0.000 0.218 537 P C 0.754 178.022 177.300 -0.054 0.000 1.148 537 P CA 1.159 64.232 63.100 -0.045 0.000 0.822 537 P CB -0.011 31.700 31.700 0.018 0.000 0.784 538 Y N -1.134 119.166 120.300 0.001 0.000 2.274 538 Y HA -0.102 4.441 4.550 -0.011 0.000 0.290 538 Y C 1.974 177.880 175.900 0.009 0.000 1.145 538 Y CA 0.779 58.880 58.100 0.002 0.000 1.203 538 Y CB -1.776 36.686 38.460 0.002 0.000 0.984 538 Y HN -0.126 nan 8.280 nan 0.000 0.533 539 I N 0.918 121.024 120.570 -0.773 0.000 2.226 539 I HA -0.269 3.895 4.170 -0.011 0.000 0.245 539 I C 2.553 178.570 176.117 -0.166 0.000 1.100 539 I CA 1.543 62.587 61.300 -0.428 0.000 1.374 539 I CB -0.404 37.354 38.000 -0.403 0.000 1.057 539 I HN 0.206 nan 8.210 nan 0.000 0.413 540 R N 0.813 121.212 120.500 -0.168 0.000 2.091 540 R HA -0.192 4.142 4.340 -0.011 0.000 0.238 540 R C 2.150 178.400 176.300 -0.083 0.000 1.136 540 R CA 1.577 57.596 56.100 -0.135 0.000 0.959 540 R CB -0.423 29.797 30.300 -0.133 0.000 0.856 540 R HN 0.453 nan 8.270 nan 0.000 0.437 541 E N 0.437 120.610 120.200 -0.046 0.000 2.077 541 E HA -0.166 4.178 4.350 -0.011 0.000 0.193 541 E C 2.123 178.727 176.600 0.006 0.000 0.989 541 E CA 1.092 57.485 56.400 -0.011 0.000 0.800 541 E CB -0.037 29.678 29.700 0.025 0.000 0.746 541 E HN 0.284 nan 8.360 nan 0.000 0.452 542 R N 0.329 120.845 120.500 0.027 0.000 2.092 542 R HA -0.086 4.248 4.340 -0.011 0.000 0.231 542 R C 2.375 178.697 176.300 0.035 0.000 1.119 542 R CA 1.039 57.167 56.100 0.045 0.000 0.970 542 R CB -0.234 30.111 30.300 0.074 0.000 0.864 542 R HN 0.073 nan 8.270 nan 0.000 0.440 543 V N 0.416 120.348 119.914 0.030 0.000 2.379 543 V HA -0.170 3.944 4.120 -0.011 0.000 0.245 543 V C 2.295 178.379 176.094 -0.018 0.000 1.044 543 V CA 1.357 63.691 62.300 0.057 0.000 1.036 543 V CB -0.221 31.656 31.823 0.089 0.000 0.664 543 V HN 0.101 nan 8.190 nan 0.000 0.453 544 V N 0.642 120.519 119.914 -0.061 0.000 2.490 544 V HA -0.300 3.813 4.120 -0.011 0.000 0.250 544 V C 2.271 178.329 176.094 -0.059 0.000 1.061 544 V CA 2.401 64.642 62.300 -0.098 0.000 1.064 544 V CB -0.681 31.087 31.823 -0.091 0.000 0.670 544 V HN 0.651 nan 8.190 nan 0.000 0.461 545 D N -0.759 119.637 120.400 -0.006 0.000 2.117 545 D HA -0.181 4.453 4.640 -0.011 0.000 0.197 545 D C 2.284 178.654 176.300 0.117 0.000 0.987 545 D CA 1.062 55.093 54.000 0.050 0.000 0.829 545 D CB -0.002 40.842 40.800 0.072 0.000 0.961 545 D HN 0.303 nan 8.370 nan 0.000 0.460 546 Q N -0.045 119.786 119.800 0.052 0.000 2.084 546 Q HA -0.108 4.226 4.340 -0.011 0.000 0.202 546 Q C 2.584 178.606 176.000 0.036 0.000 0.978 546 Q CA 0.775 56.608 55.803 0.049 0.000 0.844 546 Q CB -0.415 28.378 28.738 0.092 0.000 0.898 546 Q HN 0.455 nan 8.270 nan 0.000 0.426 547 L N 0.156 121.343 121.223 -0.061 0.000 2.127 547 L HA -0.156 4.178 4.340 -0.011 0.000 0.211 547 L C 2.354 179.118 176.870 -0.178 0.000 1.089 547 L CA 0.979 55.708 54.840 -0.186 0.000 0.757 547 L CB -0.670 41.171 42.059 -0.364 0.000 0.899 547 L HN 0.106 nan 8.230 nan 0.000 0.434 548 A N -0.742 122.006 122.820 -0.120 0.000 2.067 548 A HA -0.192 4.122 4.320 -0.011 0.000 0.219 548 A C 1.752 179.183 177.584 -0.256 0.000 1.158 548 A CA 1.227 53.159 52.037 -0.175 0.000 0.661 548 A CB -0.683 18.217 19.000 -0.166 0.000 0.801 548 A HN 0.444 nan 8.150 nan 0.000 0.452 549 H N -1.051 117.802 119.070 -0.361 0.000 2.548 549 H HA 0.240 4.790 4.556 -0.010 0.000 0.268 549 H C 1.567 176.613 175.328 -0.471 0.000 0.975 549 H CA 0.976 56.672 56.048 -0.587 0.000 1.195 549 H CB 0.006 28.987 29.762 -1.301 0.000 1.397 549 H HN 0.516 nan 8.280 nan 0.000 0.572 550 I N -1.097 119.373 120.570 -0.167 0.000 2.681 550 I HA 0.072 4.236 4.170 -0.011 0.000 0.247 550 I C -0.092 175.946 176.117 -0.132 0.000 1.091 550 I CA 0.500 61.766 61.300 -0.056 0.000 1.442 550 I CB 0.601 38.594 38.000 -0.013 0.000 1.219 550 I HN 0.085 nan 8.210 nan 0.000 0.451 551 D N -0.313 119.935 120.400 -0.253 0.000 2.931 551 D HA 0.147 4.781 4.640 -0.011 0.000 0.215 551 D C 0.351 176.478 176.300 -0.288 0.000 1.297 551 D CA -0.396 53.430 54.000 -0.290 0.000 0.892 551 D CB 1.436 41.908 40.800 -0.546 0.000 1.642 551 D HN -0.059 nan 8.370 nan 0.000 0.560 552 L N 3.125 124.239 121.223 -0.180 0.000 2.042 552 L HA -0.096 4.238 4.340 -0.011 0.000 0.210 552 L C 1.277 178.063 176.870 -0.141 0.000 1.076 552 L CA 2.168 56.920 54.840 -0.147 0.000 0.749 552 L CB -0.912 41.091 42.059 -0.094 0.000 0.893 552 L HN 0.600 nan 8.230 nan 0.000 0.432 553 T N 0.967 115.459 114.554 -0.103 0.000 2.708 553 T HA -0.211 4.133 4.350 -0.011 0.000 0.266 553 T C 1.873 176.490 174.700 -0.138 0.000 1.037 553 T CA 1.692 63.771 62.100 -0.036 0.000 1.146 553 T CB -0.389 68.556 68.868 0.128 0.000 0.865 553 T HN 0.336 nan 8.240 nan 0.000 0.435 554 L N 1.649 122.605 121.223 -0.444 0.000 2.017 554 L HA 0.049 4.382 4.340 -0.011 0.000 0.208 554 L C 2.604 179.237 176.870 -0.394 0.000 1.073 554 L CA 2.109 56.545 54.840 -0.674 0.000 0.745 554 L CB -1.214 40.051 42.059 -1.324 0.000 0.894 554 L HN 0.211 nan 8.230 nan 0.000 0.432 555 A N -0.963 121.644 122.820 -0.355 0.000 1.865 555 A HA -0.281 4.033 4.320 -0.011 0.000 0.217 555 A C 2.229 179.713 177.584 -0.167 0.000 1.191 555 A CA 2.014 53.897 52.037 -0.257 0.000 0.623 555 A CB -0.753 18.115 19.000 -0.220 0.000 0.826 555 A HN 0.685 nan 8.150 nan 0.000 0.444 556 Q N -0.844 118.879 119.800 -0.128 0.000 2.096 556 Q HA -0.130 4.204 4.340 -0.011 0.000 0.204 556 Q C 2.437 178.406 176.000 -0.051 0.000 0.982 556 Q CA 1.471 57.229 55.803 -0.075 0.000 0.850 556 Q CB -0.385 28.322 28.738 -0.051 0.000 0.901 556 Q HN 0.698 nan 8.270 nan 0.000 0.422 557 A N 0.094 122.888 122.820 -0.043 0.000 1.930 557 A HA -0.125 4.188 4.320 -0.011 0.000 0.217 557 A C 2.285 179.866 177.584 -0.005 0.000 1.175 557 A CA 1.252 53.289 52.037 0.002 0.000 0.627 557 A CB -0.549 18.479 19.000 0.048 0.000 0.815 557 A HN 0.216 nan 8.150 nan 0.000 0.443 558 V N -0.264 119.618 119.914 -0.053 0.000 2.379 558 V HA -0.187 3.927 4.120 -0.011 0.000 0.245 558 V C 3.052 179.115 176.094 -0.053 0.000 1.044 558 V CA 1.749 64.019 62.300 -0.050 0.000 1.036 558 V CB -1.130 30.614 31.823 -0.131 0.000 0.664 558 V HN 0.601 nan 8.190 nan 0.000 0.453 559 A N -0.302 122.475 122.820 -0.072 0.000 1.908 559 A HA -0.281 4.032 4.320 -0.011 0.000 0.218 559 A C 2.356 179.920 177.584 -0.032 0.000 1.181 559 A CA 2.229 54.231 52.037 -0.058 0.000 0.627 559 A CB -0.498 18.464 19.000 -0.063 0.000 0.818 559 A HN 0.489 nan 8.150 nan 0.000 0.445 560 K N -0.464 119.924 120.400 -0.020 0.000 2.148 560 K HA -0.137 4.176 4.320 -0.011 0.000 0.204 560 K C 1.159 177.763 176.600 0.006 0.000 1.050 560 K CA 1.320 57.605 56.287 -0.003 0.000 0.942 560 K CB -0.186 32.317 32.500 0.006 0.000 0.724 560 K HN 0.422 nan 8.250 nan 0.000 0.446 561 N N 0.633 119.340 118.700 0.011 0.000 2.459 561 N HA -0.090 4.644 4.740 -0.011 0.000 0.181 561 N C 0.905 176.418 175.510 0.005 0.000 1.046 561 N CA 0.612 53.675 53.050 0.022 0.000 0.904 561 N CB 0.162 38.674 38.487 0.042 0.000 0.964 561 N HN 0.131 nan 8.380 nan 0.000 0.444 562 L N -0.382 120.832 121.223 -0.014 0.000 2.640 562 L HA 0.308 4.641 4.340 -0.011 0.000 0.230 562 L C 1.221 178.079 176.870 -0.020 0.000 1.123 562 L CA 0.031 54.854 54.840 -0.028 0.000 0.900 562 L CB -0.840 41.188 42.059 -0.051 0.000 1.146 562 L HN 0.187 nan 8.230 nan 0.000 0.484 563 G N 0.607 109.401 108.800 -0.011 0.000 2.198 563 G HA2 -0.296 3.658 3.960 -0.011 0.000 0.260 563 G HA3 -0.296 3.658 3.960 -0.011 0.000 0.260 563 G C 0.377 175.270 174.900 -0.011 0.000 1.025 563 G CA 0.425 45.521 45.100 -0.007 0.000 0.769 563 G HN 0.340 nan 8.290 nan 0.000 0.507 564 I N 0.001 120.560 120.570 -0.018 0.000 2.460 564 I HA 0.392 4.556 4.170 -0.011 0.000 0.298 564 I C 0.177 176.280 176.117 -0.022 0.000 0.989 564 I CA -0.734 60.553 61.300 -0.021 0.000 1.173 564 I CB 1.628 39.610 38.000 -0.031 0.000 1.338 564 I HN -0.040 nan 8.210 nan 0.000 0.456 565 E N 5.634 125.823 120.200 -0.019 0.000 2.113 565 E HA 0.303 4.646 4.350 -0.011 0.000 0.273 565 E C -0.930 175.655 176.600 -0.025 0.000 0.924 565 E CA -0.917 55.472 56.400 -0.020 0.000 0.764 565 E CB 1.689 31.381 29.700 -0.013 0.000 1.104 565 E HN 0.279 nan 8.360 nan 0.000 0.406 566 L N 2.825 124.028 121.223 -0.033 0.000 2.461 566 L HA 0.066 4.399 4.340 -0.011 0.000 0.272 566 L C 1.346 178.196 176.870 -0.034 0.000 1.197 566 L CA 0.438 55.254 54.840 -0.040 0.000 0.836 566 L CB -0.052 41.974 42.059 -0.056 0.000 1.105 566 L HN 0.576 nan 8.230 nan 0.000 0.477 567 T N -1.563 112.971 114.554 -0.034 0.000 2.816 567 T HA 0.189 4.532 4.350 -0.011 0.000 0.282 567 T C 1.070 175.749 174.700 -0.036 0.000 0.993 567 T CA -0.144 61.939 62.100 -0.028 0.000 0.994 567 T CB 0.616 69.470 68.868 -0.023 0.000 1.025 567 T HN 0.628 nan 8.240 nan 0.000 0.529 568 D N 0.853 121.235 120.400 -0.030 0.000 2.177 568 D HA -0.239 4.395 4.640 -0.011 0.000 0.189 568 D C 1.272 177.548 176.300 -0.041 0.000 1.002 568 D CA 1.637 55.618 54.000 -0.031 0.000 0.845 568 D CB -0.485 40.301 40.800 -0.023 0.000 0.960 568 D HN 0.556 nan 8.370 nan 0.000 0.447 569 D N 0.083 120.459 120.400 -0.040 0.000 2.117 569 D HA -0.144 4.490 4.640 -0.011 0.000 0.197 569 D C 2.236 178.486 176.300 -0.082 0.000 0.987 569 D CA 0.952 54.921 54.000 -0.052 0.000 0.829 569 D CB -0.407 40.370 40.800 -0.038 0.000 0.961 569 D HN 0.438 nan 8.370 nan 0.000 0.460 570 Q N -0.374 119.377 119.800 -0.080 0.000 2.124 570 Q HA -0.102 4.232 4.340 -0.011 0.000 0.202 570 Q C 1.944 177.868 176.000 -0.127 0.000 0.977 570 Q CA 0.528 56.261 55.803 -0.116 0.000 0.850 570 Q CB -0.009 28.677 28.738 -0.086 0.000 0.901 570 Q HN 0.167 nan 8.270 nan 0.000 0.429 571 L N 1.012 122.180 121.223 -0.091 0.000 2.191 571 L HA -0.135 4.199 4.340 -0.011 0.000 0.212 571 L C 1.287 178.106 176.870 -0.084 0.000 1.103 571 L CA 1.503 56.294 54.840 -0.082 0.000 0.769 571 L CB -0.458 41.567 42.059 -0.057 0.000 0.908 571 L HN 0.214 nan 8.230 nan 0.000 0.438 572 N N -0.955 117.693 118.700 -0.087 0.000 2.280 572 N HA 0.140 4.874 4.740 -0.011 0.000 0.192 572 N C 0.454 175.901 175.510 -0.106 0.000 1.109 572 N CA 0.025 53.027 53.050 -0.080 0.000 0.855 572 N CB 0.246 38.696 38.487 -0.061 0.000 0.974 572 N HN 0.225 nan 8.380 nan 0.000 0.482 573 I N 1.893 122.365 120.570 -0.163 0.000 2.662 573 I HA -0.078 4.086 4.170 -0.011 0.000 0.285 573 I C 0.259 176.278 176.117 -0.163 0.000 1.161 573 I CA 0.388 61.556 61.300 -0.220 0.000 1.415 573 I CB 0.038 37.782 38.000 -0.427 0.000 1.385 573 I HN -0.123 nan 8.210 nan 0.000 0.552 574 T N 8.336 122.822 114.554 -0.113 0.000 2.888 574 T HA 0.158 4.502 4.350 -0.011 0.000 0.301 574 T C -1.923 172.736 174.700 -0.069 0.000 1.001 574 T CA -0.928 61.131 62.100 -0.068 0.000 1.147 574 T CB 0.084 68.932 68.868 -0.033 0.000 0.931 574 T HN 0.427 nan 8.240 nan 0.000 0.541 575 P HA 0.189 nan 4.420 nan 0.000 0.268 575 P C -2.429 174.884 177.300 0.022 0.000 1.208 575 P CA -1.322 61.763 63.100 -0.025 0.000 0.777 575 P CB -0.511 31.185 31.700 -0.006 0.000 0.875 576 P HA 0.218 nan 4.420 nan 0.000 0.272 576 P C -2.351 175.003 177.300 0.090 0.000 1.230 576 P CA -1.385 61.785 63.100 0.116 0.000 0.788 576 P CB -1.018 30.803 31.700 0.202 0.000 0.949 577 P HA 0.131 nan 4.420 nan 0.000 0.274 577 P C -0.367 176.981 177.300 0.080 0.000 1.231 577 P CA -0.017 63.128 63.100 0.075 0.000 0.790 577 P CB 0.452 32.196 31.700 0.073 0.000 0.951 578 D N 0.125 120.564 120.400 0.065 0.000 2.378 578 D HA 0.042 4.675 4.640 -0.011 0.000 0.238 578 D C 0.016 176.362 176.300 0.076 0.000 1.180 578 D CA 0.104 54.139 54.000 0.059 0.000 0.895 578 D CB 0.334 41.163 40.800 0.048 0.000 1.192 578 D HN 0.012 nan 8.370 nan 0.000 0.438 579 V N 2.526 122.476 119.914 0.061 0.000 2.356 579 V HA 0.044 4.158 4.120 -0.011 0.000 0.258 579 V C 0.339 176.523 176.094 0.151 0.000 1.065 579 V CA -0.350 62.017 62.300 0.112 0.000 0.935 579 V CB -0.683 31.120 31.823 -0.032 0.000 1.061 579 V HN 0.608 nan 8.190 nan 0.000 0.484 580 N N 4.449 123.247 118.700 0.165 0.000 2.725 580 N HA -0.228 4.506 4.740 -0.011 0.000 0.251 580 N C 1.157 176.720 175.510 0.088 0.000 1.031 580 N CA 0.861 53.988 53.050 0.129 0.000 0.720 580 N CB -0.893 37.705 38.487 0.184 0.000 0.930 580 N HN 1.242 nan 8.380 nan 0.000 0.543 581 G N -1.766 107.075 108.800 0.069 0.000 2.205 581 G HA2 -0.334 3.619 3.960 -0.011 0.000 0.261 581 G HA3 -0.334 3.619 3.960 -0.011 0.000 0.261 581 G C 0.145 175.072 174.900 0.045 0.000 0.980 581 G CA 0.352 45.481 45.100 0.049 0.000 0.632 581 G HN 0.393 nan 8.290 nan 0.000 0.533 582 L N 1.200 122.454 121.223 0.051 0.000 2.331 582 L HA 0.383 4.717 4.340 -0.011 0.000 0.278 582 L C 1.629 178.513 176.870 0.023 0.000 1.106 582 L CA -0.150 54.712 54.840 0.036 0.000 0.824 582 L CB 1.017 43.098 42.059 0.036 0.000 1.142 582 L HN 0.232 nan 8.230 nan 0.000 0.443 583 K N 4.204 124.612 120.400 0.013 0.000 2.373 583 K HA 0.205 4.519 4.320 -0.011 0.000 0.202 583 K C -0.351 176.242 176.600 -0.011 0.000 1.025 583 K CA -0.099 56.193 56.287 0.008 0.000 1.115 583 K CB 0.481 32.986 32.500 0.008 0.000 0.858 583 K HN 0.725 nan 8.250 nan 0.000 0.525 584 K N -0.443 119.947 120.400 -0.017 0.000 3.076 584 K HA 0.152 4.466 4.320 -0.011 0.000 0.314 584 K C -2.386 174.198 176.600 -0.027 0.000 1.113 584 K CA -0.669 55.591 56.287 -0.044 0.000 0.860 584 K CB 0.500 32.955 32.500 -0.076 0.000 1.435 584 K HN -0.116 nan 8.250 nan 0.000 0.374 585 D N 2.228 122.606 120.400 -0.036 0.000 2.470 585 D HA 0.284 4.918 4.640 -0.011 0.000 0.233 585 D C -2.141 174.146 176.300 -0.021 0.000 1.372 585 D CA -1.796 52.202 54.000 -0.003 0.000 0.994 585 D CB 2.151 42.973 40.800 0.037 0.000 1.377 585 D HN 0.270 nan 8.370 nan 0.000 0.586 586 P HA -0.135 nan 4.420 nan 0.000 0.218 586 P C 1.322 178.620 177.300 -0.003 0.000 1.146 586 P CA 0.960 64.037 63.100 -0.038 0.000 0.813 586 P CB 0.143 31.831 31.700 -0.020 0.000 0.778 587 S N -1.270 114.462 115.700 0.052 0.000 2.547 587 S HA -0.041 4.422 4.470 -0.011 0.000 0.235 587 S C 1.642 176.339 174.600 0.162 0.000 0.980 587 S CA 0.669 58.938 58.200 0.115 0.000 0.941 587 S CB -1.384 61.908 63.200 0.153 0.000 0.763 587 S HN 0.138 nan 8.310 nan 0.000 0.532 588 L N 1.167 122.448 121.223 0.098 0.000 2.509 588 L HA 0.236 4.570 4.340 -0.011 0.000 0.222 588 L C 1.450 178.239 176.870 -0.135 0.000 1.123 588 L CA 0.073 54.974 54.840 0.102 0.000 0.856 588 L CB -0.232 41.884 42.059 0.096 0.000 0.985 588 L HN 0.322 nan 8.230 nan 0.000 0.456 589 S N -0.361 115.235 115.700 -0.174 0.000 2.586 589 S HA 0.293 4.757 4.470 -0.011 0.000 0.274 589 S C 1.064 175.551 174.600 -0.190 0.000 1.281 589 S CA -0.607 57.428 58.200 -0.274 0.000 1.035 589 S CB 1.356 64.391 63.200 -0.275 0.000 0.962 589 S HN 0.170 nan 8.310 nan 0.000 0.512 590 L N 2.931 123.964 121.223 -0.317 0.000 2.109 590 L HA 0.035 4.369 4.340 -0.011 0.000 0.207 590 L C 0.881 177.478 176.870 -0.455 0.000 1.086 590 L CA 1.102 55.661 54.840 -0.467 0.000 0.760 590 L CB -0.243 41.258 42.059 -0.930 0.000 0.910 590 L HN 0.778 nan 8.230 nan 0.000 0.437 591 Y N -2.375 117.918 120.300 -0.012 0.000 2.432 591 Y HA 0.334 4.879 4.550 -0.010 0.000 0.252 591 Y C 2.139 178.053 175.900 0.024 0.000 1.097 591 Y CA -0.161 57.979 58.100 0.066 0.000 1.250 591 Y CB -0.521 38.020 38.460 0.136 0.000 1.245 591 Y HN -0.039 nan 8.280 nan 0.000 0.522 592 A N 0.910 123.749 122.820 0.031 0.000 1.927 592 A HA -0.139 4.174 4.320 -0.011 0.000 0.220 592 A C 0.923 178.540 177.584 0.055 0.000 1.185 592 A CA 1.349 53.383 52.037 -0.005 0.000 0.639 592 A CB -0.822 18.124 19.000 -0.088 0.000 0.820 592 A HN 0.320 nan 8.150 nan 0.000 0.451 593 I N 0.650 121.261 120.570 0.068 0.000 2.354 593 I HA 0.264 4.428 4.170 -0.011 0.000 0.286 593 I C -2.465 173.722 176.117 0.117 0.000 1.007 593 I CA -2.271 59.077 61.300 0.080 0.000 1.167 593 I CB 1.603 39.639 38.000 0.060 0.000 1.320 593 I HN -0.014 nan 8.210 nan 0.000 0.458 594 P HA -0.039 nan 4.420 nan 0.000 0.261 594 P C -0.209 177.165 177.300 0.124 0.000 1.173 594 P CA 0.509 63.697 63.100 0.146 0.000 0.760 594 P CB 0.383 32.153 31.700 0.117 0.000 0.783 595 D N 0.975 121.459 120.400 0.138 0.000 2.619 595 D HA 0.038 4.672 4.640 -0.011 0.000 0.300 595 D C 0.452 176.814 176.300 0.104 0.000 1.502 595 D CA -0.269 53.796 54.000 0.108 0.000 0.865 595 D CB -0.525 40.336 40.800 0.100 0.000 1.343 595 D HN 0.348 nan 8.370 nan 0.000 0.447 596 G N 0.422 109.297 108.800 0.125 0.000 2.432 596 G HA2 0.326 4.280 3.960 -0.011 0.000 0.239 596 G HA3 0.326 4.280 3.960 -0.011 0.000 0.239 596 G C -0.642 174.302 174.900 0.075 0.000 1.291 596 G CA 0.106 45.274 45.100 0.112 0.000 0.863 596 G HN 0.153 nan 8.290 nan 0.000 0.560 597 D N 0.759 121.194 120.400 0.058 0.000 2.593 597 D HA 0.252 4.886 4.640 -0.011 0.000 0.251 597 D C 1.074 177.394 176.300 0.032 0.000 1.140 597 D CA -0.619 53.402 54.000 0.036 0.000 0.855 597 D CB 1.916 42.729 40.800 0.022 0.000 1.267 597 D HN 0.249 nan 8.370 nan 0.000 0.532 598 V N 1.791 121.717 119.914 0.020 0.000 3.406 598 V HA 0.224 4.338 4.120 -0.011 0.000 0.263 598 V C 1.019 177.103 176.094 -0.016 0.000 1.172 598 V CA 0.124 62.431 62.300 0.012 0.000 1.140 598 V CB -0.720 31.104 31.823 0.001 0.000 0.784 598 V HN 0.397 nan 8.190 nan 0.000 0.467 599 K N 1.327 121.710 120.400 -0.027 0.000 2.436 599 K HA 0.385 4.699 4.320 -0.011 0.000 0.282 599 K C 1.237 177.813 176.600 -0.041 0.000 1.044 599 K CA 1.040 57.292 56.287 -0.059 0.000 1.028 599 K CB 0.062 32.531 32.500 -0.052 0.000 0.919 599 K HN 0.690 nan 8.250 nan 0.000 0.474 600 G N 3.409 112.163 108.800 -0.076 0.000 2.232 600 G HA2 -0.197 3.757 3.960 -0.011 0.000 0.226 600 G HA3 -0.197 3.757 3.960 -0.011 0.000 0.226 600 G C 0.068 175.040 174.900 0.120 0.000 0.996 600 G CA -0.402 44.733 45.100 0.059 0.000 0.626 600 G HN 0.542 nan 8.290 nan 0.000 0.509 601 R N -0.062 120.470 120.500 0.054 0.000 2.738 601 R HA 0.659 4.993 4.340 -0.011 0.000 0.275 601 R C 0.219 176.593 176.300 0.122 0.000 1.121 601 R CA -0.173 55.984 56.100 0.095 0.000 1.207 601 R CB 0.316 30.660 30.300 0.074 0.000 1.141 601 R HN 0.389 nan 8.270 nan 0.000 0.571 602 V N 0.565 120.560 119.914 0.136 0.000 2.709 602 V HA 0.351 4.464 4.120 -0.011 0.000 0.308 602 V C -0.424 175.737 176.094 0.111 0.000 1.062 602 V CA -0.883 61.508 62.300 0.153 0.000 0.901 602 V CB 2.444 34.374 31.823 0.178 0.000 1.003 602 V HN 0.360 nan 8.190 nan 0.000 0.425 603 V N 3.010 122.982 119.914 0.097 0.000 2.513 603 V HA 0.778 4.892 4.120 -0.011 0.000 0.299 603 V C 0.430 176.578 176.094 0.089 0.000 1.035 603 V CA -0.598 61.748 62.300 0.077 0.000 0.889 603 V CB 1.860 33.713 31.823 0.050 0.000 0.988 603 V HN 1.025 nan 8.190 nan 0.000 0.440 604 A N 6.007 128.885 122.820 0.098 0.000 2.328 604 A HA 0.781 5.094 4.320 -0.011 0.000 0.284 604 A C -0.449 177.143 177.584 0.012 0.000 1.160 604 A CA -0.283 51.804 52.037 0.084 0.000 0.818 604 A CB 0.065 19.168 19.000 0.170 0.000 1.087 604 A HN 0.776 nan 8.150 nan 0.000 0.504 605 I N 3.753 124.325 120.570 0.003 0.000 2.354 605 I HA 0.202 4.366 4.170 -0.011 0.000 0.286 605 I C -0.605 175.504 176.117 -0.013 0.000 1.007 605 I CA -0.212 61.087 61.300 -0.002 0.000 1.167 605 I CB 1.319 39.336 38.000 0.027 0.000 1.320 605 I HN 0.491 nan 8.210 nan 0.000 0.458 606 L N 7.169 128.354 121.223 -0.063 0.000 2.283 606 L HA 0.402 4.736 4.340 -0.011 0.000 0.287 606 L C 0.074 177.002 176.870 0.096 0.000 1.073 606 L CA -0.267 54.561 54.840 -0.021 0.000 0.822 606 L CB 0.233 42.117 42.059 -0.292 0.000 1.186 606 L HN 0.457 nan 8.230 nan 0.000 0.436 607 L N 3.639 124.989 121.223 0.211 0.000 2.468 607 L HA 0.362 4.695 4.340 -0.011 0.000 0.254 607 L C 0.074 177.090 176.870 0.242 0.000 1.171 607 L CA -0.439 54.483 54.840 0.136 0.000 0.809 607 L CB 1.205 43.265 42.059 0.001 0.000 1.155 607 L HN 0.720 nan 8.230 nan 0.000 0.473 608 N N -2.308 116.432 118.700 0.067 0.000 2.697 608 N HA 0.213 4.947 4.740 -0.011 0.000 0.272 608 N C -0.406 175.049 175.510 -0.092 0.000 1.381 608 N CA -0.729 52.404 53.050 0.138 0.000 0.797 608 N CB 0.676 39.255 38.487 0.154 0.000 1.523 608 N HN 0.507 nan 8.380 nan 0.000 0.518 609 D N -1.850 118.548 120.400 -0.003 0.000 2.363 609 D HA -0.005 4.629 4.640 -0.011 0.000 0.220 609 D C -0.318 175.941 176.300 -0.069 0.000 0.994 609 D CA 0.846 54.791 54.000 -0.092 0.000 0.890 609 D CB 0.021 40.842 40.800 0.034 0.000 0.906 609 D HN 0.648 nan 8.370 nan 0.000 0.530 610 E N 0.245 120.423 120.200 -0.036 0.000 3.666 610 E HA 0.259 4.603 4.350 -0.011 0.000 0.230 610 E C -1.309 175.274 176.600 -0.029 0.000 1.235 610 E CA -0.447 55.934 56.400 -0.032 0.000 1.096 610 E CB 0.948 30.640 29.700 -0.014 0.000 1.287 610 E HN -0.102 nan 8.360 nan 0.000 0.406 611 V N 2.149 122.036 119.914 -0.044 0.000 2.655 611 V HA 0.118 4.231 4.120 -0.011 0.000 0.300 611 V C 0.750 176.825 176.094 -0.031 0.000 1.044 611 V CA -0.175 62.105 62.300 -0.033 0.000 1.095 611 V CB 0.742 32.540 31.823 -0.042 0.000 0.952 611 V HN 0.423 nan 8.190 nan 0.000 0.485 612 R N 3.510 123.992 120.500 -0.029 0.000 2.488 612 R HA 0.056 4.389 4.340 -0.011 0.000 0.306 612 R C 1.747 178.025 176.300 -0.038 0.000 1.271 612 R CA 0.530 56.609 56.100 -0.035 0.000 1.022 612 R CB -0.579 29.696 30.300 -0.042 0.000 1.054 612 R HN 0.990 nan 8.270 nan 0.000 0.500 613 S N 1.302 116.982 115.700 -0.033 0.000 2.423 613 S HA -0.292 4.171 4.470 -0.011 0.000 0.238 613 S C 1.866 176.448 174.600 -0.031 0.000 1.028 613 S CA 1.243 59.424 58.200 -0.030 0.000 1.000 613 S CB -0.086 63.098 63.200 -0.027 0.000 0.797 613 S HN 0.530 nan 8.310 nan 0.000 0.487 614 A N 1.776 124.574 122.820 -0.036 0.000 1.929 614 A HA -0.028 4.285 4.320 -0.011 0.000 0.216 614 A C 1.945 179.498 177.584 -0.051 0.000 1.176 614 A CA 1.437 53.451 52.037 -0.039 0.000 0.628 614 A CB -0.756 18.219 19.000 -0.042 0.000 0.816 614 A HN 0.505 nan 8.150 nan 0.000 0.444 615 D N 0.096 120.457 120.400 -0.066 0.000 2.077 615 D HA -0.135 4.498 4.640 -0.011 0.000 0.193 615 D C 1.975 178.243 176.300 -0.052 0.000 0.989 615 D CA 0.952 54.898 54.000 -0.091 0.000 0.831 615 D CB -0.484 40.251 40.800 -0.108 0.000 0.979 615 D HN 0.335 nan 8.370 nan 0.000 0.449 616 L N 0.412 121.615 121.223 -0.033 0.000 1.978 616 L HA -0.247 4.087 4.340 -0.011 0.000 0.218 616 L C 2.592 179.459 176.870 -0.006 0.000 1.075 616 L CA 1.133 55.966 54.840 -0.012 0.000 0.767 616 L CB -0.476 41.576 42.059 -0.013 0.000 0.890 616 L HN 0.139 nan 8.230 nan 0.000 0.434 617 L N -0.685 120.531 121.223 -0.012 0.000 1.991 617 L HA -0.332 4.002 4.340 -0.011 0.000 0.221 617 L C 2.809 179.678 176.870 -0.002 0.000 1.079 617 L CA 1.769 56.604 54.840 -0.007 0.000 0.778 617 L CB -0.847 41.205 42.059 -0.012 0.000 0.893 617 L HN 0.367 nan 8.230 nan 0.000 0.437 618 A N -0.031 122.784 122.820 -0.007 0.000 1.883 618 A HA -0.202 4.112 4.320 -0.011 0.000 0.217 618 A C 2.171 179.771 177.584 0.026 0.000 1.186 618 A CA 1.824 53.862 52.037 0.003 0.000 0.624 618 A CB -0.733 18.259 19.000 -0.012 0.000 0.822 618 A HN 0.392 nan 8.150 nan 0.000 0.444 619 I N -0.279 120.310 120.570 0.030 0.000 2.091 619 I HA -0.309 3.854 4.170 -0.011 0.000 0.239 619 I C 2.447 178.591 176.117 0.044 0.000 1.061 619 I CA 1.562 62.900 61.300 0.062 0.000 1.317 619 I CB -0.505 37.534 38.000 0.065 0.000 1.031 619 I HN 0.295 nan 8.210 nan 0.000 0.401 620 L N 0.531 121.772 121.223 0.030 0.000 2.083 620 L HA -0.239 4.094 4.340 -0.011 0.000 0.209 620 L C 2.656 179.537 176.870 0.018 0.000 1.083 620 L CA 1.479 56.334 54.840 0.024 0.000 0.752 620 L CB -0.653 41.418 42.059 0.020 0.000 0.899 620 L HN 0.304 nan 8.230 nan 0.000 0.433 621 K N 0.612 121.021 120.400 0.015 0.000 2.057 621 K HA -0.174 4.140 4.320 -0.011 0.000 0.207 621 K C 2.156 178.762 176.600 0.010 0.000 1.049 621 K CA 1.375 57.669 56.287 0.011 0.000 0.931 621 K CB -0.079 32.427 32.500 0.010 0.000 0.714 621 K HN 0.233 nan 8.250 nan 0.000 0.440 622 A N 1.364 124.195 122.820 0.019 0.000 1.898 622 A HA -0.075 4.239 4.320 -0.011 0.000 0.216 622 A C 2.131 179.718 177.584 0.005 0.000 1.181 622 A CA 1.164 53.212 52.037 0.018 0.000 0.620 622 A CB -0.552 18.470 19.000 0.037 0.000 0.819 622 A HN 0.322 nan 8.150 nan 0.000 0.442 623 L N -0.792 120.435 121.223 0.006 0.000 2.017 623 L HA -0.187 4.146 4.340 -0.011 0.000 0.208 623 L C 2.623 179.470 176.870 -0.038 0.000 1.073 623 L CA 1.980 56.812 54.840 -0.013 0.000 0.745 623 L CB -0.452 41.607 42.059 -0.001 0.000 0.894 623 L HN 0.454 nan 8.230 nan 0.000 0.432 624 K N 0.532 120.918 120.400 -0.023 0.000 2.147 624 K HA -0.138 4.176 4.320 -0.011 0.000 0.205 624 K C 2.032 178.612 176.600 -0.033 0.000 1.049 624 K CA 1.197 57.466 56.287 -0.030 0.000 0.936 624 K CB -0.053 32.443 32.500 -0.006 0.000 0.722 624 K HN 0.252 nan 8.250 nan 0.000 0.446 625 A N 0.638 123.446 122.820 -0.022 0.000 2.015 625 A HA -0.071 4.242 4.320 -0.011 0.000 0.219 625 A C 1.480 179.047 177.584 -0.028 0.000 1.163 625 A CA 1.236 53.261 52.037 -0.019 0.000 0.646 625 A CB -0.110 18.885 19.000 -0.008 0.000 0.806 625 A HN 0.120 nan 8.150 nan 0.000 0.448 626 K N -1.403 118.973 120.400 -0.039 0.000 2.358 626 K HA 0.221 4.535 4.320 -0.011 0.000 0.197 626 K C 0.950 177.504 176.600 -0.078 0.000 1.025 626 K CA 0.571 56.831 56.287 -0.045 0.000 1.104 626 K CB 0.008 32.487 32.500 -0.036 0.000 0.855 626 K HN 0.716 nan 8.250 nan 0.000 0.531 627 G N 1.404 110.139 108.800 -0.108 0.000 2.176 627 G HA2 -0.229 3.725 3.960 -0.011 0.000 0.252 627 G HA3 -0.229 3.725 3.960 -0.011 0.000 0.252 627 G C 0.041 174.741 174.900 -0.332 0.000 1.024 627 G CA 0.254 45.243 45.100 -0.186 0.000 0.755 627 G HN 0.104 nan 8.290 nan 0.000 0.507 628 V N 0.532 120.293 119.914 -0.254 0.000 2.509 628 V HA 0.526 4.640 4.120 -0.011 0.000 0.284 628 V C 0.766 176.683 176.094 -0.295 0.000 1.047 628 V CA -0.661 61.492 62.300 -0.245 0.000 0.952 628 V CB 1.236 33.004 31.823 -0.092 0.000 0.988 628 V HN 0.453 nan 8.190 nan 0.000 0.469 629 H N 1.559 120.644 119.070 0.024 0.000 2.495 629 H HA 0.793 5.343 4.556 -0.011 0.000 0.350 629 H C 0.130 175.479 175.328 0.036 0.000 1.202 629 H CA 0.045 56.110 56.048 0.028 0.000 1.322 629 H CB 1.404 31.185 29.762 0.031 0.000 1.544 629 H HN 0.855 nan 8.280 nan 0.000 0.565 630 A N 1.058 123.984 122.820 0.177 0.000 2.454 630 A HA 0.569 4.882 4.320 -0.011 0.000 0.302 630 A C -1.214 176.430 177.584 0.100 0.000 1.079 630 A CA -1.050 51.054 52.037 0.111 0.000 0.731 630 A CB 1.239 20.285 19.000 0.077 0.000 1.299 630 A HN 0.786 nan 8.150 nan 0.000 0.413 631 K N 1.889 122.342 120.400 0.088 0.000 2.463 631 K HA 0.676 4.989 4.320 -0.011 0.000 0.255 631 K C -1.622 175.015 176.600 0.062 0.000 0.942 631 K CA -0.475 55.859 56.287 0.077 0.000 0.814 631 K CB 1.428 33.984 32.500 0.094 0.000 1.122 631 K HN 0.480 nan 8.250 nan 0.000 0.425 632 L N 4.337 125.590 121.223 0.049 0.000 2.283 632 L HA 0.293 4.626 4.340 -0.011 0.000 0.287 632 L C -0.784 176.115 176.870 0.049 0.000 1.073 632 L CA -1.007 53.857 54.840 0.040 0.000 0.822 632 L CB 0.289 42.361 42.059 0.023 0.000 1.186 632 L HN 0.469 nan 8.230 nan 0.000 0.436 633 L N 4.463 125.730 121.223 0.073 0.000 2.334 633 L HA 0.582 4.916 4.340 -0.011 0.000 0.276 633 L C -0.434 176.512 176.870 0.126 0.000 1.014 633 L CA -0.328 54.562 54.840 0.082 0.000 0.815 633 L CB 1.424 43.562 42.059 0.131 0.000 1.268 633 L HN 0.319 nan 8.230 nan 0.000 0.428 634 Y N -0.424 119.638 120.300 -0.397 0.000 2.889 634 Y HA 0.328 4.871 4.550 -0.011 0.000 0.317 634 Y C 0.957 176.147 175.900 -1.183 0.000 1.414 634 Y CA -0.766 56.961 58.100 -0.622 0.000 1.091 634 Y CB 1.556 39.878 38.460 -0.229 0.000 1.358 634 Y HN 0.560 nan 8.280 nan 0.000 0.487 635 S N 0.670 115.440 115.700 -1.550 0.000 2.593 635 S HA 0.249 4.713 4.470 -0.011 0.000 0.217 635 S C -0.039 174.215 174.600 -0.577 0.000 0.966 635 S CA 0.232 57.819 58.200 -1.023 0.000 0.914 635 S CB -0.326 62.441 63.200 -0.721 0.000 0.776 635 S HN 0.591 nan 8.310 nan 0.000 0.523 636 R N -1.306 118.935 120.500 -0.432 0.000 2.734 636 R HA 0.605 4.938 4.340 -0.011 0.000 0.271 636 R C -0.836 175.435 176.300 -0.048 0.000 1.021 636 R CA -1.095 54.903 56.100 -0.170 0.000 0.893 636 R CB 0.482 30.725 30.300 -0.095 0.000 1.244 636 R HN -0.090 nan 8.270 nan 0.000 0.464 637 M N 0.249 119.834 119.600 -0.026 0.000 2.012 637 M HA 0.472 4.946 4.480 -0.011 0.000 0.248 637 M C 1.146 177.463 176.300 0.029 0.000 1.238 637 M CA 1.144 56.445 55.300 0.002 0.000 0.980 637 M CB 0.381 32.977 32.600 -0.007 0.000 1.346 637 M HN 1.050 nan 8.290 nan 0.000 0.511 638 G N 0.578 109.390 108.800 0.020 0.000 2.936 638 G HA2 -0.124 3.830 3.960 -0.011 0.000 0.237 638 G HA3 -0.124 3.830 3.960 -0.011 0.000 0.237 638 G C -0.755 174.151 174.900 0.010 0.000 1.403 638 G CA 0.123 45.233 45.100 0.017 0.000 1.011 638 G HN 0.905 nan 8.290 nan 0.000 0.568 639 E N -1.230 118.972 120.200 0.003 0.000 2.423 639 E HA 0.626 4.970 4.350 -0.011 0.000 0.280 639 E C -0.710 175.843 176.600 -0.078 0.000 1.030 639 E CA -0.662 55.718 56.400 -0.033 0.000 0.812 639 E CB 2.304 31.988 29.700 -0.028 0.000 1.313 639 E HN 1.677 nan 8.360 nan 0.000 0.456 640 V N -2.133 117.697 119.914 -0.140 0.000 3.001 640 V HA 0.768 4.882 4.120 -0.011 0.000 0.314 640 V C -0.563 175.455 176.094 -0.128 0.000 1.099 640 V CA -0.691 61.486 62.300 -0.204 0.000 0.989 640 V CB 1.760 33.329 31.823 -0.422 0.000 1.040 640 V HN 0.766 nan 8.190 nan 0.000 0.434 641 T N 2.427 116.918 114.554 -0.106 0.000 2.779 641 T HA 0.793 5.136 4.350 -0.011 0.000 0.280 641 T C 0.277 174.937 174.700 -0.068 0.000 0.987 641 T CA 0.214 62.272 62.100 -0.069 0.000 0.966 641 T CB 1.350 70.190 68.868 -0.046 0.000 0.933 641 T HN 1.359 nan 8.240 nan 0.000 0.442 642 A N 2.388 125.175 122.820 -0.056 0.000 2.296 642 A HA 0.387 4.700 4.320 -0.011 0.000 0.264 642 A C 1.607 179.170 177.584 -0.036 0.000 1.097 642 A CA -0.400 51.608 52.037 -0.048 0.000 0.811 642 A CB 0.056 19.031 19.000 -0.041 0.000 1.072 642 A HN 0.918 nan 8.150 nan 0.000 0.495 643 D N 0.336 120.717 120.400 -0.031 0.000 2.172 643 D HA -0.244 4.390 4.640 -0.011 0.000 0.196 643 D C 0.735 177.023 176.300 -0.021 0.000 0.999 643 D CA 1.846 55.831 54.000 -0.024 0.000 0.856 643 D CB -0.404 40.382 40.800 -0.023 0.000 0.934 643 D HN 0.643 nan 8.370 nan 0.000 0.453 644 D N -1.416 118.971 120.400 -0.022 0.000 2.339 644 D HA 0.161 4.795 4.640 -0.011 0.000 0.217 644 D C 1.600 177.889 176.300 -0.018 0.000 1.050 644 D CA 0.620 54.609 54.000 -0.019 0.000 0.856 644 D CB -0.104 40.686 40.800 -0.018 0.000 0.922 644 D HN 0.449 nan 8.370 nan 0.000 0.518 645 G N -0.047 108.740 108.800 -0.021 0.000 2.157 645 G HA2 -0.244 3.709 3.960 -0.011 0.000 0.239 645 G HA3 -0.244 3.709 3.960 -0.011 0.000 0.239 645 G C 0.303 175.191 174.900 -0.021 0.000 0.982 645 G CA 0.149 45.237 45.100 -0.020 0.000 0.650 645 G HN 0.393 nan 8.290 nan 0.000 0.527 646 T N 1.499 116.039 114.554 -0.024 0.000 2.784 646 T HA 0.405 4.749 4.350 -0.011 0.000 0.291 646 T C 0.712 175.394 174.700 -0.030 0.000 0.942 646 T CA 0.059 62.145 62.100 -0.023 0.000 1.161 646 T CB 1.788 70.642 68.868 -0.023 0.000 0.885 646 T HN 0.366 nan 8.240 nan 0.000 0.534 647 V N 6.512 126.411 119.914 -0.026 0.000 2.455 647 V HA 0.258 4.372 4.120 -0.011 0.000 0.273 647 V C 0.244 176.318 176.094 -0.032 0.000 1.045 647 V CA -0.356 61.926 62.300 -0.030 0.000 0.976 647 V CB 0.455 32.265 31.823 -0.022 0.000 0.993 647 V HN 0.680 nan 8.190 nan 0.000 0.475 648 L N 8.569 129.764 121.223 -0.047 0.000 2.298 648 L HA 0.463 4.797 4.340 -0.011 0.000 0.284 648 L C -2.340 174.502 176.870 -0.045 0.000 1.013 648 L CA -1.840 52.973 54.840 -0.046 0.000 0.824 648 L CB 1.989 44.010 42.059 -0.064 0.000 1.221 648 L HN 0.419 nan 8.230 nan 0.000 0.418 649 P HA 0.220 nan 4.420 nan 0.000 0.276 649 P C -0.489 176.805 177.300 -0.009 0.000 1.243 649 P CA -0.016 63.076 63.100 -0.014 0.000 0.768 649 P CB 0.855 32.553 31.700 -0.003 0.000 0.856 650 I N 2.499 123.067 120.570 -0.004 0.000 2.342 650 I HA 0.214 4.377 4.170 -0.011 0.000 0.291 650 I C 1.573 177.698 176.117 0.014 0.000 1.010 650 I CA -0.356 60.950 61.300 0.009 0.000 1.308 650 I CB 1.320 39.337 38.000 0.029 0.000 1.400 650 I HN 0.348 nan 8.210 nan 0.000 0.488 651 A N 5.228 128.060 122.820 0.020 0.000 1.935 651 A HA 0.577 4.890 4.320 -0.011 0.000 0.214 651 A C 1.008 178.605 177.584 0.022 0.000 1.178 651 A CA 1.225 53.276 52.037 0.025 0.000 0.640 651 A CB 0.036 19.058 19.000 0.036 0.000 0.825 651 A HN 0.815 nan 8.150 nan 0.000 0.447 652 A N -2.082 120.749 122.820 0.019 0.000 2.564 652 A HA 0.591 4.904 4.320 -0.011 0.000 0.291 652 A C -0.002 177.558 177.584 -0.040 0.000 1.102 652 A CA 0.126 52.169 52.037 0.009 0.000 0.660 652 A CB -0.226 18.802 19.000 0.047 0.000 1.283 652 A HN 0.737 nan 8.150 nan 0.000 0.430 653 T N -1.880 112.636 114.554 -0.062 0.000 2.862 653 T HA 0.582 4.926 4.350 -0.011 0.000 0.276 653 T C 0.863 175.537 174.700 -0.043 0.000 0.974 653 T CA 0.025 62.008 62.100 -0.195 0.000 0.966 653 T CB 0.149 68.910 68.868 -0.178 0.000 1.072 653 T HN 0.451 nan 8.240 nan 0.000 0.538 654 F N 0.166 120.145 119.950 0.048 0.000 2.186 654 F HA 0.078 4.598 4.527 -0.011 0.000 0.299 654 F C 2.947 178.892 175.800 0.241 0.000 1.090 654 F CA 0.579 58.668 58.000 0.147 0.000 1.307 654 F CB -0.487 38.576 39.000 0.106 0.000 1.019 654 F HN 0.677 nan 8.300 nan 0.000 0.489 655 A N 0.354 123.342 122.820 0.280 0.000 1.970 655 A HA 0.082 4.396 4.320 -0.011 0.000 0.216 655 A C 2.410 180.065 177.584 0.119 0.000 1.170 655 A CA 1.259 53.400 52.037 0.174 0.000 0.645 655 A CB -1.347 17.712 19.000 0.097 0.000 0.816 655 A HN 0.372 nan 8.150 nan 0.000 0.447 656 G N -0.700 108.156 108.800 0.094 0.000 2.422 656 G HA2 0.250 4.204 3.960 -0.011 0.000 0.218 656 G HA3 0.250 4.204 3.960 -0.011 0.000 0.218 656 G C 0.655 175.611 174.900 0.092 0.000 1.140 656 G CA 1.049 46.188 45.100 0.065 0.000 0.775 656 G HN 1.141 nan 8.290 nan 0.000 0.545 657 A N 0.870 123.785 122.820 0.158 0.000 3.082 657 A HA 0.657 4.970 4.320 -0.011 0.000 0.328 657 A C -2.589 175.152 177.584 0.263 0.000 1.089 657 A CA -1.118 51.024 52.037 0.175 0.000 0.802 657 A CB 1.186 20.287 19.000 0.168 0.000 1.138 657 A HN 0.116 nan 8.150 nan 0.000 0.474 658 P HA -0.021 nan 4.420 nan 0.000 0.270 658 P C 1.280 178.416 177.300 -0.273 0.000 1.221 658 P CA 0.606 63.655 63.100 -0.084 0.000 0.788 658 P CB 0.710 32.354 31.700 -0.094 0.000 0.904 659 S N 1.037 116.200 115.700 -0.896 0.000 2.465 659 S HA -0.147 4.316 4.470 -0.011 0.000 0.241 659 S C 1.828 176.288 174.600 -0.233 0.000 1.000 659 S CA 0.890 58.731 58.200 -0.598 0.000 0.964 659 S CB -1.266 61.480 63.200 -0.757 0.000 0.763 659 S HN 0.378 nan 8.310 nan 0.000 0.512 660 L N 1.854 122.949 121.223 -0.213 0.000 2.127 660 L HA -0.092 4.241 4.340 -0.011 0.000 0.211 660 L C 3.024 179.744 176.870 -0.251 0.000 1.089 660 L CA 1.633 56.348 54.840 -0.208 0.000 0.757 660 L CB -1.503 40.414 42.059 -0.237 0.000 0.899 660 L HN 0.615 nan 8.230 nan 0.000 0.434 661 T N -2.904 111.575 114.554 -0.126 0.000 3.113 661 T HA 0.144 4.487 4.350 -0.011 0.000 0.256 661 T C 0.492 175.293 174.700 0.169 0.000 1.131 661 T CA 0.273 62.405 62.100 0.053 0.000 1.074 661 T CB -0.509 68.460 68.868 0.168 0.000 0.944 661 T HN 0.179 nan 8.240 nan 0.000 0.516 662 V N -2.511 117.460 119.914 0.096 0.000 3.113 662 V HA 0.568 4.682 4.120 -0.011 0.000 0.316 662 V C -0.034 176.105 176.094 0.074 0.000 1.125 662 V CA -0.969 61.405 62.300 0.124 0.000 1.026 662 V CB 2.077 33.987 31.823 0.144 0.000 1.080 662 V HN 0.007 nan 8.190 nan 0.000 0.444 663 D N 0.803 121.248 120.400 0.075 0.000 2.366 663 D HA 0.498 5.132 4.640 -0.011 0.000 0.205 663 D C 0.543 176.827 176.300 -0.026 0.000 1.022 663 D CA 1.436 55.455 54.000 0.032 0.000 0.868 663 D CB 1.517 42.360 40.800 0.071 0.000 0.953 663 D HN 0.974 nan 8.370 nan 0.000 0.514 664 A N 0.130 122.950 122.820 -0.000 0.000 2.586 664 A HA 0.526 4.839 4.320 -0.011 0.000 0.291 664 A C -1.657 175.939 177.584 0.021 0.000 1.062 664 A CA -0.549 51.473 52.037 -0.025 0.000 0.666 664 A CB 1.476 20.448 19.000 -0.046 0.000 1.281 664 A HN -0.105 nan 8.150 nan 0.000 0.421 665 V N 1.181 121.100 119.914 0.007 0.000 2.577 665 V HA 0.554 4.668 4.120 -0.011 0.000 0.303 665 V C -0.690 175.401 176.094 -0.006 0.000 1.042 665 V CA -0.181 62.135 62.300 0.027 0.000 0.872 665 V CB 1.501 33.363 31.823 0.064 0.000 0.998 665 V HN 0.702 nan 8.190 nan 0.000 0.423 666 I N 4.295 124.867 120.570 0.003 0.000 2.474 666 I HA 0.584 4.748 4.170 -0.011 0.000 0.294 666 I C -0.837 175.290 176.117 0.018 0.000 1.005 666 I CA -0.934 60.392 61.300 0.044 0.000 1.113 666 I CB 2.310 40.369 38.000 0.098 0.000 1.289 666 I HN 0.287 nan 8.210 nan 0.000 0.436 667 V N 7.419 127.362 119.914 0.048 0.000 2.380 667 V HA 0.334 4.448 4.120 -0.011 0.000 0.286 667 V C -2.227 173.911 176.094 0.074 0.000 1.015 667 V CA -1.636 60.675 62.300 0.019 0.000 0.834 667 V CB 1.301 33.102 31.823 -0.037 0.000 1.009 667 V HN 0.544 nan 8.190 nan 0.000 0.428 668 P HA 0.185 nan 4.420 nan 0.000 0.274 668 P C 0.153 177.464 177.300 0.018 0.000 1.246 668 P CA -0.278 62.829 63.100 0.012 0.000 0.795 668 P CB 0.838 32.537 31.700 -0.001 0.000 1.006 669 C N 0.753 120.040 119.300 -0.021 0.000 2.639 669 C HA 0.712 5.166 4.460 -0.011 0.000 0.360 669 C C 1.151 176.141 174.990 -0.001 0.000 1.351 669 C CA 1.637 60.649 59.018 -0.011 0.000 2.408 669 C CB -0.974 26.738 27.740 -0.046 0.000 2.517 669 C HN 0.910 nan 8.230 nan 0.000 0.696 670 G N 2.479 111.282 108.800 0.004 0.000 2.366 670 G HA2 0.031 3.985 3.960 -0.011 0.000 0.190 670 G HA3 0.031 3.985 3.960 -0.011 0.000 0.190 670 G C -0.973 173.936 174.900 0.014 0.000 1.299 670 G CA -0.084 45.019 45.100 0.004 0.000 1.056 670 G HN 0.911 nan 8.290 nan 0.000 0.468 671 N N 1.771 120.484 118.700 0.023 0.000 2.739 671 N HA 0.227 4.961 4.740 -0.011 0.000 0.266 671 N C 1.644 177.186 175.510 0.054 0.000 1.168 671 N CA -0.423 52.645 53.050 0.030 0.000 1.055 671 N CB -0.189 38.317 38.487 0.032 0.000 1.393 671 N HN 0.389 nan 8.380 nan 0.000 0.514 672 I N 1.176 121.767 120.570 0.034 0.000 2.493 672 I HA -0.172 3.992 4.170 -0.011 0.000 0.254 672 I C 1.916 178.032 176.117 -0.002 0.000 1.160 672 I CA 0.650 61.970 61.300 0.032 0.000 1.445 672 I CB -1.347 36.635 38.000 -0.030 0.000 1.086 672 I HN 0.499 nan 8.210 nan 0.000 0.433 673 A N 0.621 123.435 122.820 -0.010 0.000 2.015 673 A HA -0.248 4.066 4.320 -0.011 0.000 0.219 673 A C 2.057 179.661 177.584 0.033 0.000 1.163 673 A CA 1.802 53.831 52.037 -0.014 0.000 0.646 673 A CB -0.603 18.389 19.000 -0.014 0.000 0.806 673 A HN 0.424 nan 8.150 nan 0.000 0.448 674 D N 0.696 121.142 120.400 0.076 0.000 2.123 674 D HA -0.171 4.463 4.640 -0.011 0.000 0.196 674 D C 1.617 178.012 176.300 0.158 0.000 0.992 674 D CA 1.914 55.989 54.000 0.125 0.000 0.833 674 D CB -0.231 40.673 40.800 0.174 0.000 0.954 674 D HN 0.622 nan 8.370 nan 0.000 0.455 675 I N -3.569 117.120 120.570 0.198 0.000 4.070 675 I HA 0.449 4.612 4.170 -0.011 0.000 0.328 675 I C 1.946 178.208 176.117 0.242 0.000 1.298 675 I CA 0.103 61.559 61.300 0.260 0.000 1.173 675 I CB -0.014 38.205 38.000 0.364 0.000 1.051 675 I HN -0.056 nan 8.210 nan 0.000 0.409 676 A N 1.547 124.400 122.820 0.056 0.000 2.076 676 A HA -0.150 4.164 4.320 -0.011 0.000 0.220 676 A C 1.439 178.989 177.584 -0.056 0.000 1.160 676 A CA 1.801 53.723 52.037 -0.192 0.000 0.653 676 A CB -0.490 18.314 19.000 -0.327 0.000 0.801 676 A HN 0.561 nan 8.150 nan 0.000 0.455 677 D N -0.621 119.792 120.400 0.021 0.000 2.462 677 D HA 0.027 4.661 4.640 -0.011 0.000 0.221 677 D C -0.167 176.176 176.300 0.073 0.000 1.173 677 D CA -0.185 53.834 54.000 0.032 0.000 0.831 677 D CB -0.167 40.641 40.800 0.013 0.000 1.001 677 D HN 0.309 nan 8.370 nan 0.000 0.499 678 N N 1.380 120.152 118.700 0.121 0.000 2.439 678 N HA 0.049 4.782 4.740 -0.011 0.000 0.243 678 N C 1.413 177.000 175.510 0.127 0.000 1.088 678 N CA -0.084 53.046 53.050 0.133 0.000 0.940 678 N CB 1.273 39.876 38.487 0.192 0.000 1.180 678 N HN 0.010 nan 8.380 nan 0.000 0.505 679 G N 3.587 112.449 108.800 0.102 0.000 2.574 679 G HA2 -0.326 3.628 3.960 -0.011 0.000 0.220 679 G HA3 -0.326 3.628 3.960 -0.011 0.000 0.220 679 G C 1.025 176.006 174.900 0.134 0.000 1.173 679 G CA 0.814 45.974 45.100 0.100 0.000 0.772 679 G HN 0.574 nan 8.290 nan 0.000 0.585 680 D N 0.817 121.307 120.400 0.151 0.000 2.123 680 D HA -0.060 4.574 4.640 -0.011 0.000 0.196 680 D C 2.833 179.188 176.300 0.093 0.000 0.992 680 D CA 1.358 55.484 54.000 0.211 0.000 0.833 680 D CB -0.584 40.394 40.800 0.295 0.000 0.954 680 D HN 0.331 nan 8.370 nan 0.000 0.455 681 A N 1.119 123.873 122.820 -0.110 0.000 1.858 681 A HA -0.214 4.100 4.320 -0.011 0.000 0.216 681 A C 2.047 179.454 177.584 -0.294 0.000 1.190 681 A CA 1.495 53.206 52.037 -0.543 0.000 0.617 681 A CB -0.554 18.162 19.000 -0.473 0.000 0.827 681 A HN 0.158 nan 8.150 nan 0.000 0.443 682 N N -1.541 117.144 118.700 -0.024 0.000 2.120 682 N HA -0.187 4.546 4.740 -0.011 0.000 0.188 682 N C 1.674 177.182 175.510 -0.002 0.000 1.024 682 N CA 1.787 54.862 53.050 0.041 0.000 0.852 682 N CB -0.532 38.050 38.487 0.159 0.000 1.003 682 N HN 0.683 nan 8.380 nan 0.000 0.424 683 Y N 0.483 120.764 120.300 -0.033 0.000 2.224 683 Y HA -0.273 4.270 4.550 -0.011 0.000 0.289 683 Y C 2.385 178.245 175.900 -0.066 0.000 1.146 683 Y CA 1.306 59.381 58.100 -0.043 0.000 1.182 683 Y CB -0.383 38.061 38.460 -0.025 0.000 0.983 683 Y HN 0.032 nan 8.280 nan 0.000 0.524 684 Y N 0.315 120.489 120.300 -0.210 0.000 2.151 684 Y HA -0.319 4.225 4.550 -0.010 0.000 0.284 684 Y C 2.072 177.770 175.900 -0.336 0.000 1.166 684 Y CA 2.088 60.029 58.100 -0.264 0.000 1.163 684 Y CB -0.443 37.847 38.460 -0.283 0.000 0.974 684 Y HN 0.127 nan 8.280 nan 0.000 0.511 685 L N -1.197 119.943 121.223 -0.138 0.000 2.109 685 L HA -0.238 4.096 4.340 -0.011 0.000 0.207 685 L C 2.375 179.126 176.870 -0.198 0.000 1.086 685 L CA 1.344 56.085 54.840 -0.165 0.000 0.760 685 L CB -0.505 41.417 42.059 -0.228 0.000 0.910 685 L HN 0.278 nan 8.230 nan 0.000 0.437 686 M N -0.575 118.852 119.600 -0.288 0.000 2.175 686 M HA -0.209 4.265 4.480 -0.011 0.000 0.264 686 M C 2.211 178.262 176.300 -0.414 0.000 1.063 686 M CA 1.618 56.741 55.300 -0.296 0.000 1.119 686 M CB -0.334 32.091 32.600 -0.292 0.000 1.377 686 M HN 0.209 nan 8.290 nan 0.000 0.415 687 E N 0.690 120.465 120.200 -0.708 0.000 2.047 687 E HA -0.182 4.162 4.350 -0.011 0.000 0.191 687 E C 2.036 178.263 176.600 -0.621 0.000 0.987 687 E CA 1.322 57.257 56.400 -0.775 0.000 0.799 687 E CB -0.002 29.213 29.700 -0.808 0.000 0.752 687 E HN 0.458 nan 8.360 nan 0.000 0.449 688 A N 0.299 122.877 122.820 -0.403 0.000 1.908 688 A HA -0.225 4.088 4.320 -0.011 0.000 0.218 688 A C 2.062 179.537 177.584 -0.182 0.000 1.181 688 A CA 1.624 53.519 52.037 -0.237 0.000 0.627 688 A CB -0.987 17.932 19.000 -0.135 0.000 0.818 688 A HN 0.572 nan 8.150 nan 0.000 0.445 689 Y N 0.484 120.626 120.300 -0.264 0.000 2.114 689 Y HA -0.232 4.312 4.550 -0.010 0.000 0.284 689 Y C 2.444 178.224 175.900 -0.199 0.000 1.143 689 Y CA 2.438 60.414 58.100 -0.205 0.000 1.135 689 Y CB -0.315 38.039 38.460 -0.177 0.000 0.980 689 Y HN 0.325 nan 8.280 nan 0.000 0.499 690 K N -0.494 119.815 120.400 -0.152 0.000 2.044 690 K HA -0.264 4.050 4.320 -0.011 0.000 0.210 690 K C 1.197 177.709 176.600 -0.146 0.000 1.049 690 K CA 2.232 58.406 56.287 -0.189 0.000 0.927 690 K CB -0.541 31.786 32.500 -0.289 0.000 0.713 690 K HN 0.602 nan 8.250 nan 0.000 0.443 691 H N 0.553 119.508 119.070 -0.191 0.000 2.566 691 H HA 0.146 4.696 4.556 -0.010 0.000 0.280 691 H C -0.035 175.131 175.328 -0.271 0.000 1.042 691 H CA 0.140 56.066 56.048 -0.203 0.000 1.168 691 H CB -0.101 29.539 29.762 -0.205 0.000 1.340 691 H HN 0.162 nan 8.280 nan 0.000 0.597 692 L N -0.056 121.021 121.223 -0.242 0.000 4.040 692 L HA -0.297 4.036 4.340 -0.011 0.000 0.410 692 L C -0.284 176.320 176.870 -0.442 0.000 1.187 692 L CA 0.693 55.294 54.840 -0.397 0.000 0.956 692 L CB -1.735 40.074 42.059 -0.416 0.000 2.022 692 L HN 0.339 nan 8.230 nan 0.000 0.897 693 K N 0.613 120.819 120.400 -0.324 0.000 2.118 693 K HA 0.478 4.792 4.320 -0.011 0.000 0.267 693 K C -2.147 174.310 176.600 -0.238 0.000 0.991 693 K CA -1.849 54.268 56.287 -0.285 0.000 0.916 693 K CB 0.724 33.113 32.500 -0.186 0.000 1.041 693 K HN -0.212 nan 8.250 nan 0.000 0.455 694 P HA 0.043 nan 4.420 nan 0.000 0.264 694 P C -0.797 176.430 177.300 -0.122 0.000 1.193 694 P CA 0.419 63.412 63.100 -0.178 0.000 0.763 694 P CB 0.398 31.995 31.700 -0.172 0.000 0.810 695 I N 2.137 122.648 120.570 -0.099 0.000 2.545 695 I HA 0.618 4.782 4.170 -0.011 0.000 0.292 695 I C -0.304 175.761 176.117 -0.086 0.000 1.040 695 I CA -0.815 60.448 61.300 -0.062 0.000 1.068 695 I CB 2.168 40.159 38.000 -0.014 0.000 1.251 695 I HN 0.262 nan 8.210 nan 0.000 0.424 696 A N 7.597 130.376 122.820 -0.068 0.000 2.343 696 A HA 0.838 5.152 4.320 -0.011 0.000 0.308 696 A C -1.124 176.550 177.584 0.149 0.000 1.092 696 A CA -0.430 51.548 52.037 -0.098 0.000 0.751 696 A CB 0.895 19.713 19.000 -0.303 0.000 1.203 696 A HN 0.654 nan 8.150 nan 0.000 0.452 697 L N 2.425 123.788 121.223 0.234 0.000 2.319 697 L HA 0.696 5.030 4.340 -0.011 0.000 0.281 697 L C 0.287 177.356 176.870 0.333 0.000 1.005 697 L CA -0.512 54.482 54.840 0.257 0.000 0.828 697 L CB 1.874 44.028 42.059 0.159 0.000 1.227 697 L HN 0.783 nan 8.230 nan 0.000 0.415 698 A N 2.444 125.367 122.820 0.172 0.000 2.304 698 A HA 0.815 5.129 4.320 -0.011 0.000 0.323 698 A C 0.704 178.276 177.584 -0.021 0.000 1.195 698 A CA 0.322 52.330 52.037 -0.049 0.000 0.826 698 A CB 1.198 19.987 19.000 -0.352 0.000 1.184 698 A HN 0.974 nan 8.150 nan 0.000 0.496 699 G N 2.077 110.859 108.800 -0.030 0.000 2.634 699 G HA2 -0.336 3.617 3.960 -0.011 0.000 0.318 699 G HA3 -0.336 3.617 3.960 -0.011 0.000 0.318 699 G C 0.374 175.277 174.900 0.004 0.000 1.207 699 G CA 0.809 45.897 45.100 -0.020 0.000 0.987 699 G HN 0.723 nan 8.290 nan 0.000 0.547 700 D N 1.962 122.362 120.400 0.000 0.000 2.336 700 D HA 0.410 5.043 4.640 -0.011 0.000 0.229 700 D C 2.104 178.414 176.300 0.016 0.000 1.061 700 D CA 1.060 55.056 54.000 -0.006 0.000 0.875 700 D CB -0.188 40.598 40.800 -0.023 0.000 0.904 700 D HN 0.694 nan 8.370 nan 0.000 0.525 701 A N 0.354 123.221 122.820 0.078 0.000 2.123 701 A HA -0.035 4.279 4.320 -0.011 0.000 0.214 701 A C 2.007 179.712 177.584 0.201 0.000 1.152 701 A CA 0.172 52.330 52.037 0.202 0.000 0.728 701 A CB -0.116 19.006 19.000 0.202 0.000 0.814 701 A HN 0.054 nan 8.150 nan 0.000 0.464 702 R N -0.183 120.379 120.500 0.103 0.000 2.293 702 R HA -0.077 4.256 4.340 -0.011 0.000 0.219 702 R C 1.258 177.577 176.300 0.032 0.000 1.091 702 R CA 1.148 57.293 56.100 0.076 0.000 1.004 702 R CB -0.131 30.199 30.300 0.051 0.000 0.865 702 R HN 0.359 nan 8.270 nan 0.000 0.469 703 K N -0.424 119.959 120.400 -0.028 0.000 2.365 703 K HA -0.030 4.284 4.320 -0.011 0.000 0.199 703 K C 1.006 177.522 176.600 -0.140 0.000 1.045 703 K CA 0.841 57.060 56.287 -0.113 0.000 0.962 703 K CB 0.050 32.438 32.500 -0.187 0.000 0.759 703 K HN 0.106 nan 8.250 nan 0.000 0.469 704 F N 0.942 120.869 119.950 -0.037 0.000 2.661 704 F HA -0.033 4.488 4.527 -0.010 0.000 0.298 704 F C 1.652 177.408 175.800 -0.074 0.000 1.137 704 F CA 0.590 58.557 58.000 -0.055 0.000 1.454 704 F CB 0.087 39.053 39.000 -0.057 0.000 1.103 704 F HN -0.094 nan 8.300 nan 0.000 0.577 705 K N 0.326 120.776 120.400 0.084 0.000 2.152 705 K HA -0.196 4.118 4.320 -0.011 0.000 0.206 705 K C 2.291 178.868 176.600 -0.039 0.000 1.048 705 K CA 1.155 57.443 56.287 0.002 0.000 0.933 705 K CB -0.311 32.188 32.500 -0.002 0.000 0.721 705 K HN 0.252 nan 8.250 nan 0.000 0.447 706 A N 0.512 123.315 122.820 -0.029 0.000 1.902 706 A HA -0.151 4.162 4.320 -0.011 0.000 0.217 706 A C 2.114 179.670 177.584 -0.047 0.000 1.181 706 A CA 1.997 54.009 52.037 -0.043 0.000 0.623 706 A CB -0.869 18.104 19.000 -0.044 0.000 0.818 706 A HN 0.273 nan 8.150 nan 0.000 0.443 707 T N 0.631 115.174 114.554 -0.017 0.000 2.881 707 T HA -0.060 4.283 4.350 -0.011 0.000 0.270 707 T C 1.343 175.982 174.700 -0.101 0.000 1.068 707 T CA 1.490 63.580 62.100 -0.016 0.000 1.131 707 T CB -0.473 68.437 68.868 0.070 0.000 0.871 707 T HN 0.729 nan 8.240 nan 0.000 0.479 708 I N -2.810 117.648 120.570 -0.186 0.000 3.877 708 I HA 0.455 4.618 4.170 -0.011 0.000 0.332 708 I C -0.302 175.561 176.117 -0.423 0.000 1.525 708 I CA -0.678 60.372 61.300 -0.416 0.000 1.146 708 I CB 0.093 37.696 38.000 -0.661 0.000 1.137 708 I HN -0.232 nan 8.210 nan 0.000 0.424 709 K N 2.559 122.831 120.400 -0.213 0.000 3.490 709 K HA -0.114 4.199 4.320 -0.011 0.000 0.273 709 K C -0.464 176.058 176.600 -0.129 0.000 0.916 709 K CA 0.683 56.888 56.287 -0.137 0.000 0.718 709 K CB -1.340 31.101 32.500 -0.098 0.000 1.477 709 K HN 0.622 nan 8.250 nan 0.000 0.452 710 I N 0.981 121.480 120.570 -0.118 0.000 2.353 710 I HA 0.217 4.381 4.170 -0.011 0.000 0.293 710 I C 1.188 177.286 176.117 -0.031 0.000 0.992 710 I CA -0.578 60.681 61.300 -0.068 0.000 1.268 710 I CB 1.455 39.418 38.000 -0.062 0.000 1.387 710 I HN 0.318 nan 8.210 nan 0.000 0.478 711 A N 4.786 127.599 122.820 -0.012 0.000 2.536 711 A HA -0.031 4.283 4.320 -0.011 0.000 0.234 711 A C 1.055 178.637 177.584 -0.004 0.000 1.076 711 A CA 0.009 52.042 52.037 -0.005 0.000 0.769 711 A CB 0.100 19.102 19.000 0.003 0.000 1.020 711 A HN 0.819 nan 8.150 nan 0.000 0.508 712 D N 0.227 120.625 120.400 -0.003 0.000 2.104 712 D HA -0.193 4.441 4.640 -0.011 0.000 0.194 712 D C 2.165 178.467 176.300 0.004 0.000 0.994 712 D CA 2.121 56.120 54.000 -0.001 0.000 0.830 712 D CB -0.224 40.575 40.800 -0.002 0.000 0.959 712 D HN 0.844 nan 8.370 nan 0.000 0.452 713 Q N 0.211 120.014 119.800 0.005 0.000 2.291 713 Q HA 0.141 4.475 4.340 -0.011 0.000 0.205 713 Q C 0.966 176.971 176.000 0.009 0.000 0.970 713 Q CA 1.036 56.843 55.803 0.007 0.000 0.876 713 Q CB 0.117 28.859 28.738 0.006 0.000 0.935 713 Q HN 0.158 nan 8.270 nan 0.000 0.455 714 G N 0.255 109.060 108.800 0.009 0.000 2.434 714 G HA2 -0.079 3.875 3.960 -0.011 0.000 0.671 714 G HA3 -0.079 3.875 3.960 -0.011 0.000 0.671 714 G C -1.765 173.143 174.900 0.013 0.000 1.280 714 G CA -0.333 44.774 45.100 0.011 0.000 0.975 714 G HN 0.298 nan 8.290 nan 0.000 0.510 715 E N -0.465 119.744 120.200 0.014 0.000 2.388 715 E HA 0.360 4.704 4.350 -0.011 0.000 0.289 715 E C -0.690 175.910 176.600 0.000 0.000 0.944 715 E CA -0.742 55.669 56.400 0.018 0.000 0.792 715 E CB 1.142 30.871 29.700 0.049 0.000 1.239 715 E HN 0.441 nan 8.360 nan 0.000 0.412 716 E N 1.531 121.722 120.200 -0.014 0.000 2.465 716 E HA 0.158 4.501 4.350 -0.011 0.000 0.260 716 E C 0.786 177.348 176.600 -0.064 0.000 0.980 716 E CA 1.674 58.050 56.400 -0.040 0.000 0.927 716 E CB 1.132 30.808 29.700 -0.041 0.000 0.934 716 E HN 0.890 nan 8.360 nan 0.000 0.459 717 G N 3.014 111.761 108.800 -0.088 0.000 2.238 717 G HA2 -0.203 3.751 3.960 -0.011 0.000 0.217 717 G HA3 -0.203 3.751 3.960 -0.011 0.000 0.217 717 G C 0.164 175.008 174.900 -0.093 0.000 0.996 717 G CA -0.351 44.674 45.100 -0.124 0.000 0.632 717 G HN 0.418 nan 8.290 nan 0.000 0.503 718 I N 2.593 123.134 120.570 -0.048 0.000 2.330 718 I HA 0.445 4.609 4.170 -0.011 0.000 0.286 718 I C 0.625 176.702 176.117 -0.067 0.000 1.025 718 I CA -1.025 60.256 61.300 -0.032 0.000 1.197 718 I CB 1.109 39.125 38.000 0.026 0.000 1.358 718 I HN -0.078 nan 8.210 nan 0.000 0.467 719 V N 7.519 127.351 119.914 -0.137 0.000 2.530 719 V HA 0.286 4.399 4.120 -0.011 0.000 0.282 719 V C 0.357 176.399 176.094 -0.087 0.000 1.048 719 V CA -0.348 61.822 62.300 -0.216 0.000 0.997 719 V CB 0.835 32.343 31.823 -0.525 0.000 0.987 719 V HN 0.867 nan 8.190 nan 0.000 0.477 720 E N 4.089 124.313 120.200 0.040 0.000 2.343 720 E HA 0.862 5.205 4.350 -0.011 0.000 0.278 720 E C -0.943 175.805 176.600 0.247 0.000 0.910 720 E CA -0.927 55.591 56.400 0.197 0.000 0.757 720 E CB 2.466 32.231 29.700 0.108 0.000 1.218 720 E HN 0.767 nan 8.360 nan 0.000 0.435 721 A N 1.852 124.841 122.820 0.283 0.000 2.557 721 A HA 0.392 4.706 4.320 -0.011 0.000 0.292 721 A C -0.456 177.153 177.584 0.041 0.000 1.139 721 A CA -0.604 51.531 52.037 0.164 0.000 0.665 721 A CB 1.269 20.404 19.000 0.225 0.000 1.285 721 A HN 0.624 nan 8.150 nan 0.000 0.433 722 D N 0.206 120.606 120.400 0.000 0.000 2.183 722 D HA 0.064 4.697 4.640 -0.011 0.000 0.203 722 D C 0.957 177.205 176.300 -0.088 0.000 0.969 722 D CA 2.138 56.120 54.000 -0.031 0.000 0.842 722 D CB 0.174 40.962 40.800 -0.021 0.000 0.957 722 D HN 0.719 nan 8.370 nan 0.000 0.484 723 S N -1.519 114.088 115.700 -0.154 0.000 2.671 723 S HA 0.667 5.131 4.470 -0.011 0.000 0.277 723 S C -1.009 173.270 174.600 -0.536 0.000 1.165 723 S CA -0.876 57.169 58.200 -0.259 0.000 0.822 723 S CB 2.068 65.169 63.200 -0.165 0.000 1.150 723 S HN -0.022 nan 8.310 nan 0.000 0.479 724 A N 1.722 124.162 122.820 -0.634 0.000 2.798 724 A HA 0.590 4.903 4.320 -0.011 0.000 0.316 724 A C -0.147 177.238 177.584 -0.331 0.000 1.506 724 A CA -0.461 51.005 52.037 -0.952 0.000 1.162 724 A CB -1.467 17.110 19.000 -0.705 0.000 1.138 724 A HN 0.833 nan 8.150 nan 0.000 0.532 725 D N 0.406 120.706 120.400 -0.167 0.000 2.588 725 D HA 0.522 5.155 4.640 -0.011 0.000 0.268 725 D C 1.396 177.748 176.300 0.088 0.000 1.176 725 D CA 0.052 54.043 54.000 -0.015 0.000 1.080 725 D CB 0.005 40.798 40.800 -0.012 0.000 1.186 725 D HN 0.088 nan 8.370 nan 0.000 0.619 726 G N -0.792 108.045 108.800 0.062 0.000 2.446 726 G HA2 -0.308 3.645 3.960 -0.011 0.000 0.217 726 G HA3 -0.308 3.645 3.960 -0.011 0.000 0.217 726 G C 1.562 176.514 174.900 0.086 0.000 1.168 726 G CA 1.229 46.369 45.100 0.066 0.000 0.771 726 G HN 0.442 nan 8.290 nan 0.000 0.551 727 S N -0.329 115.425 115.700 0.091 0.000 2.356 727 S HA -0.110 4.354 4.470 -0.011 0.000 0.223 727 S C 2.039 176.713 174.600 0.124 0.000 1.032 727 S CA 1.404 59.655 58.200 0.086 0.000 1.005 727 S CB -0.419 62.825 63.200 0.074 0.000 0.867 727 S HN 0.380 nan 8.310 nan 0.000 0.449 728 F N 1.959 121.907 119.950 -0.005 0.000 2.095 728 F HA -0.133 4.388 4.527 -0.010 0.000 0.298 728 F C 2.098 177.893 175.800 -0.008 0.000 1.104 728 F CA 1.769 59.765 58.000 -0.006 0.000 1.232 728 F CB -0.346 38.652 39.000 -0.004 0.000 0.987 728 F HN 0.197 nan 8.300 nan 0.000 0.475 729 M N 0.318 120.076 119.600 0.264 0.000 2.159 729 M HA -0.194 4.280 4.480 -0.011 0.000 0.263 729 M C 1.858 178.164 176.300 0.010 0.000 1.063 729 M CA 1.389 56.759 55.300 0.117 0.000 1.110 729 M CB -1.431 31.253 32.600 0.140 0.000 1.374 729 M HN 0.161 nan 8.290 nan 0.000 0.411 730 D N 0.333 120.745 120.400 0.019 0.000 2.117 730 D HA -0.148 4.485 4.640 -0.011 0.000 0.197 730 D C 1.975 178.250 176.300 -0.042 0.000 0.987 730 D CA 1.184 55.181 54.000 -0.006 0.000 0.829 730 D CB -0.092 40.712 40.800 0.007 0.000 0.961 730 D HN 0.491 nan 8.370 nan 0.000 0.460 731 E N 0.393 120.551 120.200 -0.070 0.000 2.072 731 E HA -0.110 4.234 4.350 -0.011 0.000 0.191 731 E C 2.146 178.658 176.600 -0.147 0.000 0.985 731 E CA 0.154 56.490 56.400 -0.106 0.000 0.801 731 E CB -0.006 29.617 29.700 -0.128 0.000 0.750 731 E HN 0.154 nan 8.360 nan 0.000 0.452 732 L N 1.032 122.131 121.223 -0.208 0.000 2.046 732 L HA -0.160 4.174 4.340 -0.011 0.000 0.208 732 L C 2.141 178.940 176.870 -0.117 0.000 1.077 732 L CA 1.542 56.261 54.840 -0.201 0.000 0.747 732 L CB -0.423 41.483 42.059 -0.256 0.000 0.896 732 L HN 0.250 nan 8.230 nan 0.000 0.432 733 L N -0.624 120.551 121.223 -0.080 0.000 2.141 733 L HA -0.198 4.136 4.340 -0.011 0.000 0.209 733 L C 2.439 179.284 176.870 -0.042 0.000 1.094 733 L CA 1.401 56.212 54.840 -0.047 0.000 0.763 733 L CB -0.578 41.464 42.059 -0.028 0.000 0.908 733 L HN 0.269 nan 8.230 nan 0.000 0.437 734 T N 0.117 114.642 114.554 -0.048 0.000 2.737 734 T HA -0.141 4.203 4.350 -0.011 0.000 0.265 734 T C 1.933 176.601 174.700 -0.053 0.000 1.038 734 T CA 1.172 63.249 62.100 -0.039 0.000 1.144 734 T CB -0.197 68.648 68.868 -0.038 0.000 0.866 734 T HN 0.180 nan 8.240 nan 0.000 0.434 735 L N 0.310 121.482 121.223 -0.086 0.000 2.046 735 L HA -0.047 4.287 4.340 -0.011 0.000 0.208 735 L C 2.689 179.492 176.870 -0.111 0.000 1.077 735 L CA 1.259 56.029 54.840 -0.117 0.000 0.747 735 L CB -0.578 41.389 42.059 -0.153 0.000 0.896 735 L HN 0.275 nan 8.230 nan 0.000 0.432 736 M N -0.672 118.878 119.600 -0.083 0.000 2.213 736 M HA -0.172 4.301 4.480 -0.011 0.000 0.263 736 M C 2.416 178.719 176.300 0.004 0.000 1.062 736 M CA 1.687 56.957 55.300 -0.049 0.000 1.105 736 M CB -0.488 32.093 32.600 -0.031 0.000 1.385 736 M HN 0.324 nan 8.290 nan 0.000 0.417 737 A N 0.150 122.974 122.820 0.008 0.000 2.067 737 A HA 0.100 4.414 4.320 -0.011 0.000 0.219 737 A C 2.137 179.767 177.584 0.078 0.000 1.158 737 A CA 1.558 53.621 52.037 0.044 0.000 0.661 737 A CB -0.584 18.435 19.000 0.031 0.000 0.801 737 A HN 0.490 nan 8.150 nan 0.000 0.452 738 A N -2.548 120.297 122.820 0.041 0.000 2.275 738 A HA 0.358 4.671 4.320 -0.011 0.000 0.212 738 A C 0.930 178.549 177.584 0.057 0.000 1.201 738 A CA 1.205 53.279 52.037 0.062 0.000 0.843 738 A CB -0.458 18.537 19.000 -0.009 0.000 0.873 738 A HN 0.888 nan 8.150 nan 0.000 0.492 739 H N -1.156 117.861 119.070 -0.090 0.000 4.803 739 H HA -0.188 4.362 4.556 -0.010 0.000 0.060 739 H C 0.066 175.172 175.328 -0.369 0.000 0.602 739 H CA 2.384 58.356 56.048 -0.126 0.000 0.950 739 H CB -0.591 29.205 29.762 0.056 0.000 0.516 739 H HN 0.457 nan 8.280 nan 0.000 0.809 740 R N -0.196 119.705 120.500 -0.999 0.000 2.867 740 R HA 0.627 4.961 4.340 -0.011 0.000 0.268 740 R C -0.609 174.825 176.300 -1.444 0.000 1.014 740 R CA -0.313 54.966 56.100 -1.368 0.000 0.946 740 R CB 1.743 30.956 30.300 -1.812 0.000 1.208 740 R HN 0.107 nan 8.270 nan 0.000 0.477 741 V N 2.165 121.469 119.914 -1.017 0.000 2.221 741 V HA 0.120 4.233 4.120 -0.011 0.000 0.258 741 V C 0.723 176.441 176.094 -0.626 0.000 1.179 741 V CA -0.553 61.323 62.300 -0.706 0.000 1.022 741 V CB -0.199 31.356 31.823 -0.447 0.000 1.228 741 V HN 0.734 nan 8.190 nan 0.000 0.487 742 W N 1.727 122.752 121.300 -0.457 0.000 2.350 742 W HA -0.194 4.460 4.660 -0.011 0.000 0.289 742 W C 2.507 178.809 176.519 -0.361 0.000 1.215 742 W CA 0.924 57.903 57.345 -0.610 0.000 1.236 742 W CB -0.403 28.332 29.460 -1.209 0.000 1.130 742 W HN 0.660 nan 8.180 nan 0.000 0.541 743 S N 0.584 116.241 115.700 -0.073 0.000 2.515 743 S HA -0.109 4.355 4.470 -0.011 0.000 0.231 743 S C 1.722 176.286 174.600 -0.061 0.000 0.987 743 S CA 0.783 58.959 58.200 -0.039 0.000 0.936 743 S CB -0.378 62.802 63.200 -0.034 0.000 0.766 743 S HN 0.398 nan 8.310 nan 0.000 0.528 744 R N 0.822 121.242 120.500 -0.134 0.000 2.236 744 R HA 0.192 4.526 4.340 -0.011 0.000 0.208 744 R C 1.831 178.063 176.300 -0.114 0.000 1.036 744 R CA 0.535 56.534 56.100 -0.169 0.000 1.001 744 R CB -0.434 29.650 30.300 -0.359 0.000 0.896 744 R HN 0.466 nan 8.270 nan 0.000 0.464 745 I N 1.937 122.477 120.570 -0.051 0.000 2.091 745 I HA -0.270 3.894 4.170 -0.011 0.000 0.240 745 I C -0.790 175.354 176.117 0.046 0.000 1.046 745 I CA 1.585 62.903 61.300 0.030 0.000 1.306 745 I CB -0.942 37.125 38.000 0.111 0.000 1.018 745 I HN 0.165 nan 8.210 nan 0.000 0.404 746 P HA -0.111 nan 4.420 nan 0.000 0.236 746 P C 0.748 178.081 177.300 0.055 0.000 1.172 746 P CA 1.321 64.455 63.100 0.056 0.000 0.759 746 P CB -0.077 31.653 31.700 0.050 0.000 0.843 747 K N -0.751 119.680 120.400 0.052 0.000 2.399 747 K HA 0.185 4.498 4.320 -0.011 0.000 0.196 747 K C 1.860 178.536 176.600 0.126 0.000 1.117 747 K CA 0.205 56.546 56.287 0.090 0.000 0.965 747 K CB -0.081 32.492 32.500 0.121 0.000 0.983 747 K HN 0.181 nan 8.250 nan 0.000 0.531 748 I N -0.708 119.912 120.570 0.084 0.000 2.756 748 I HA -0.111 4.053 4.170 -0.011 0.000 0.262 748 I C 1.493 177.667 176.117 0.095 0.000 1.225 748 I CA 1.286 62.647 61.300 0.103 0.000 1.472 748 I CB -0.223 37.788 38.000 0.019 0.000 1.094 748 I HN -0.052 nan 8.210 nan 0.000 0.454 749 D N 2.090 122.541 120.400 0.085 0.000 2.133 749 D HA -0.180 4.453 4.640 -0.011 0.000 0.195 749 D C 1.466 177.809 176.300 0.071 0.000 0.997 749 D CA 1.324 55.372 54.000 0.079 0.000 0.840 749 D CB 0.161 41.005 40.800 0.074 0.000 0.947 749 D HN 0.222 nan 8.370 nan 0.000 0.452 750 K N 0.035 120.476 120.400 0.069 0.000 2.570 750 K HA 0.163 4.477 4.320 -0.011 0.000 0.210 750 K C -0.233 176.395 176.600 0.047 0.000 1.048 750 K CA -0.227 56.093 56.287 0.054 0.000 1.167 750 K CB 0.939 33.467 32.500 0.047 0.000 0.892 750 K HN 0.262 nan 8.250 nan 0.000 0.480 751 I N 2.839 123.444 120.570 0.058 0.000 2.447 751 I HA 0.256 4.420 4.170 -0.011 0.000 0.287 751 I C -2.602 173.540 176.117 0.042 0.000 1.023 751 I CA -2.420 58.903 61.300 0.039 0.000 1.083 751 I CB 2.307 40.338 38.000 0.052 0.000 1.245 751 I HN -0.108 nan 8.210 nan 0.000 0.434 752 P HA 0.381 nan 4.420 nan 0.000 0.252 752 P C -0.757 176.595 177.300 0.086 0.000 1.727 752 P CA 0.030 63.163 63.100 0.056 0.000 1.134 752 P CB 0.311 32.040 31.700 0.049 0.000 1.876 753 A N 0.000 122.870 122.820 0.084 0.000 2.254 753 A HA 0.000 4.314 4.320 -0.011 0.000 0.244 753 A CA 0.000 52.124 52.037 0.145 0.000 0.836 753 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486