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 1qf7_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 DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFQPGHI 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 0.000 176.283 176.300 -0.028 0.000 2.045 27 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 28 S N 1.195 116.873 115.700 -0.037 0.000 2.666 28 S HA 0.185 4.583 4.470 -0.121 0.000 0.165 28 S C 0.497 175.059 174.600 -0.063 0.000 0.865 28 S CA -0.365 57.805 58.200 -0.049 0.000 1.038 28 S CB -0.208 62.966 63.200 -0.044 0.000 1.507 28 S HN 0.419 nan 8.310 nan 0.000 0.422 29 L N 1.584 122.760 121.223 -0.078 0.000 2.249 29 L HA 0.394 4.661 4.340 -0.121 0.000 0.207 29 L C 1.550 178.340 176.870 -0.134 0.000 1.090 29 L CA 0.522 55.311 54.840 -0.085 0.000 0.802 29 L CB -0.439 41.582 42.059 -0.064 0.000 0.947 29 L HN 0.642 nan 8.230 nan 0.000 0.453 30 A N 1.775 124.459 122.820 -0.226 0.000 2.498 30 A HA 0.276 4.524 4.320 -0.121 0.000 0.239 30 A C -1.967 175.487 177.584 -0.216 0.000 1.068 30 A CA -0.941 50.847 52.037 -0.415 0.000 0.766 30 A CB -0.690 17.828 19.000 -0.803 0.000 1.003 30 A HN 0.038 nan 8.150 nan 0.000 0.497 31 P HA 0.043 nan 4.420 nan 0.000 0.266 31 P C 0.108 177.404 177.300 -0.007 0.000 1.195 31 P CA 0.081 63.162 63.100 -0.032 0.000 0.768 31 P CB 0.818 32.534 31.700 0.026 0.000 0.838 32 E N 1.738 121.938 120.200 -0.000 0.000 2.204 32 E HA -0.190 4.088 4.350 -0.121 0.000 0.195 32 E C 1.156 177.777 176.600 0.035 0.000 0.990 32 E CA 1.461 57.868 56.400 0.012 0.000 0.821 32 E CB -0.504 29.199 29.700 0.004 0.000 0.750 32 E HN 0.530 nan 8.360 nan 0.000 0.477 33 D N -1.576 118.849 120.400 0.042 0.000 2.363 33 D HA 0.023 4.590 4.640 -0.121 0.000 0.226 33 D C 1.265 177.610 176.300 0.074 0.000 1.020 33 D CA 0.831 54.859 54.000 0.048 0.000 0.892 33 D CB -0.347 40.475 40.800 0.037 0.000 0.900 33 D HN 0.186 nan 8.370 nan 0.000 0.531 34 G N 0.228 109.110 108.800 0.137 0.000 2.148 34 G HA2 -0.351 3.536 3.960 -0.121 0.000 0.254 34 G HA3 -0.351 3.536 3.960 -0.121 0.000 0.254 34 G C 1.006 175.973 174.900 0.112 0.000 0.981 34 G CA 0.829 46.036 45.100 0.178 0.000 0.670 34 G HN 0.743 nan 8.290 nan 0.000 0.528 35 S N 0.498 116.277 115.700 0.132 0.000 2.607 35 S HA 0.011 4.408 4.470 -0.121 0.000 0.224 35 S C 1.870 176.520 174.600 0.082 0.000 0.969 35 S CA 1.036 59.277 58.200 0.067 0.000 0.927 35 S CB -0.508 62.725 63.200 0.055 0.000 0.772 35 S HN 0.939 nan 8.310 nan 0.000 0.533 36 H N 0.408 119.485 119.070 0.011 0.000 2.529 36 H HA 0.316 4.799 4.556 -0.121 0.000 0.277 36 H C 0.575 175.914 175.328 0.019 0.000 0.999 36 H CA 0.134 56.190 56.048 0.012 0.000 1.256 36 H CB -0.267 29.502 29.762 0.011 0.000 1.402 36 H HN 0.256 nan 8.280 nan 0.000 0.566 37 R N 2.764 122.919 120.500 -0.576 0.000 2.295 37 R HA 0.346 4.613 4.340 -0.121 0.000 0.324 37 R C -2.442 173.759 176.300 -0.166 0.000 0.968 37 R CA -2.183 53.675 56.100 -0.403 0.000 0.837 37 R CB 0.951 30.906 30.300 -0.575 0.000 1.133 37 R HN 0.168 nan 8.270 nan 0.000 0.450 38 P HA 0.136 nan 4.420 nan 0.000 0.271 38 P C -0.925 176.363 177.300 -0.019 0.000 1.218 38 P CA -0.386 62.700 63.100 -0.024 0.000 0.780 38 P CB 0.973 32.684 31.700 0.018 0.000 0.901 39 A N 2.529 125.345 122.820 -0.006 0.000 2.462 39 A HA 0.420 4.667 4.320 -0.121 0.000 0.243 39 A C 0.902 178.497 177.584 0.018 0.000 1.076 39 A CA -0.036 52.001 52.037 0.001 0.000 0.773 39 A CB -0.266 18.737 19.000 0.005 0.000 1.010 39 A HN 0.570 nan 8.150 nan 0.000 0.493 40 A N 2.670 125.501 122.820 0.018 0.000 3.118 40 A HA 0.505 4.752 4.320 -0.121 0.000 0.256 40 A C 0.304 177.907 177.584 0.032 0.000 1.667 40 A CA 0.261 52.316 52.037 0.029 0.000 1.338 40 A CB -0.947 18.067 19.000 0.023 0.000 1.127 40 A HN 0.933 nan 8.150 nan 0.000 0.634 41 E N -0.482 119.740 120.200 0.037 0.000 2.388 41 E HA 0.427 4.704 4.350 -0.121 0.000 0.280 41 E C -3.302 173.322 176.600 0.041 0.000 1.019 41 E CA -2.246 54.177 56.400 0.038 0.000 0.806 41 E CB 0.860 30.576 29.700 0.027 0.000 1.246 41 E HN 0.047 nan 8.360 nan 0.000 0.443 42 P HA 0.055 nan 4.420 nan 0.000 0.262 42 P C -0.543 176.771 177.300 0.023 0.000 1.199 42 P CA 0.379 63.498 63.100 0.032 0.000 0.763 42 P CB 0.433 32.139 31.700 0.011 0.000 0.790 43 T N 1.189 115.754 114.554 0.019 0.000 2.906 43 T HA 0.683 4.960 4.350 -0.121 0.000 0.295 43 T C -2.969 171.709 174.700 -0.036 0.000 1.075 43 T CA -2.786 59.317 62.100 0.006 0.000 1.005 43 T CB 1.577 70.454 68.868 0.013 0.000 1.136 43 T HN 0.005 nan 8.240 nan 0.000 0.498 44 P HA 0.383 nan 4.420 nan 0.000 0.274 44 P C -2.729 174.437 177.300 -0.224 0.000 1.237 44 P CA -1.689 61.260 63.100 -0.252 0.000 0.793 44 P CB -0.973 30.648 31.700 -0.131 0.000 0.977 45 P HA 0.035 nan 4.420 nan 0.000 0.261 45 P C 1.045 178.303 177.300 -0.070 0.000 1.183 45 P CA 1.504 64.510 63.100 -0.156 0.000 0.761 45 P CB -0.305 31.306 31.700 -0.149 0.000 0.785 46 G N 2.919 111.705 108.800 -0.024 0.000 2.205 46 G HA2 -0.337 3.551 3.960 -0.121 0.000 0.261 46 G HA3 -0.337 3.551 3.960 -0.121 0.000 0.261 46 G C 1.110 176.009 174.900 -0.001 0.000 0.980 46 G CA 0.410 45.508 45.100 -0.003 0.000 0.632 46 G HN 0.673 nan 8.290 nan 0.000 0.533 47 A N -0.781 122.034 122.820 -0.007 0.000 1.930 47 A HA 0.444 4.691 4.320 -0.121 0.000 0.215 47 A C 1.370 178.958 177.584 0.007 0.000 1.176 47 A CA 2.008 54.046 52.037 0.001 0.000 0.632 47 A CB -0.008 18.991 19.000 -0.001 0.000 0.819 47 A HN 0.631 nan 8.150 nan 0.000 0.445 48 Q N -1.059 118.748 119.800 0.011 0.000 2.605 48 Q HA 0.461 4.729 4.340 -0.121 0.000 0.296 48 Q C -2.951 173.061 176.000 0.020 0.000 1.056 48 Q CA -2.279 53.533 55.803 0.015 0.000 0.778 48 Q CB 0.482 29.231 28.738 0.018 0.000 1.497 48 Q HN 0.042 nan 8.270 nan 0.000 0.443 49 P HA 0.055 nan 4.420 nan 0.000 0.271 49 P C -0.446 176.879 177.300 0.042 0.000 1.216 49 P CA -0.023 63.087 63.100 0.017 0.000 0.776 49 P CB 0.381 32.090 31.700 0.014 0.000 0.881 50 T N -0.432 114.143 114.554 0.034 0.000 2.828 50 T HA 0.647 4.924 4.350 -0.121 0.000 0.290 50 T C -0.028 174.747 174.700 0.125 0.000 1.019 50 T CA -0.530 61.636 62.100 0.110 0.000 1.031 50 T CB 0.757 69.617 68.868 -0.014 0.000 1.001 50 T HN 0.557 nan 8.240 nan 0.000 0.531 51 A N 1.388 124.378 122.820 0.284 0.000 2.609 51 A HA 0.770 5.017 4.320 -0.121 0.000 0.291 51 A C -3.043 174.795 177.584 0.424 0.000 1.096 51 A CA -2.000 50.188 52.037 0.251 0.000 0.684 51 A CB 0.525 19.628 19.000 0.172 0.000 1.282 51 A HN 0.664 nan 8.150 nan 0.000 0.412 52 P HA 0.077 nan 4.420 nan 0.000 0.263 52 P C 1.248 178.696 177.300 0.246 0.000 1.175 52 P CA 1.060 64.365 63.100 0.341 0.000 0.761 52 P CB 0.430 32.258 31.700 0.213 0.000 0.794 53 G N 2.479 111.385 108.800 0.175 0.000 2.469 53 G HA2 -0.310 3.577 3.960 -0.121 0.000 0.219 53 G HA3 -0.310 3.577 3.960 -0.121 0.000 0.219 53 G C 1.580 176.499 174.900 0.033 0.000 1.150 53 G CA 1.157 46.278 45.100 0.036 0.000 0.763 53 G HN 0.602 nan 8.290 nan 0.000 0.561 54 S N -0.304 115.420 115.700 0.040 0.000 2.489 54 S HA 0.176 4.574 4.470 -0.121 0.000 0.228 54 S C 2.221 176.842 174.600 0.036 0.000 0.995 54 S CA 0.604 58.814 58.200 0.016 0.000 0.934 54 S CB -0.116 63.083 63.200 -0.003 0.000 0.771 54 S HN 0.316 nan 8.310 nan 0.000 0.522 55 L N 0.045 121.306 121.223 0.063 0.000 2.253 55 L HA 0.264 4.532 4.340 -0.121 0.000 0.205 55 L C 2.675 179.580 176.870 0.058 0.000 1.078 55 L CA 0.830 55.705 54.840 0.060 0.000 0.805 55 L CB -0.333 41.769 42.059 0.072 0.000 0.963 55 L HN 0.234 nan 8.230 nan 0.000 0.459 56 K N 1.389 121.836 120.400 0.077 0.000 2.062 56 K HA 0.019 4.267 4.320 -0.121 0.000 0.205 56 K C 0.680 177.314 176.600 0.057 0.000 1.051 56 K CA 1.376 57.710 56.287 0.078 0.000 0.941 56 K CB 0.072 32.641 32.500 0.114 0.000 0.719 56 K HN 0.144 nan 8.250 nan 0.000 0.440 57 A N 0.972 123.818 122.820 0.043 0.000 3.216 57 A HA 0.348 4.595 4.320 -0.121 0.000 0.321 57 A C -2.146 175.447 177.584 0.015 0.000 1.042 57 A CA -1.011 51.047 52.037 0.036 0.000 0.838 57 A CB 0.676 19.701 19.000 0.042 0.000 1.136 57 A HN 0.189 nan 8.150 nan 0.000 0.483 58 P HA -0.124 nan 4.420 nan 0.000 0.222 58 P C 0.216 177.513 177.300 -0.005 0.000 1.147 58 P CA 1.062 64.164 63.100 0.003 0.000 0.790 58 P CB 0.367 32.073 31.700 0.010 0.000 0.780 59 D N -0.560 119.842 120.400 0.002 0.000 2.339 59 D HA 0.030 4.598 4.640 -0.121 0.000 0.217 59 D C 0.096 176.390 176.300 -0.010 0.000 1.050 59 D CA 0.493 54.491 54.000 -0.003 0.000 0.856 59 D CB 0.099 40.904 40.800 0.008 0.000 0.922 59 D HN 0.123 nan 8.370 nan 0.000 0.518 60 T N 2.070 116.615 114.554 -0.015 0.000 2.727 60 T HA 0.278 4.556 4.350 -0.121 0.000 0.295 60 T C 0.507 175.170 174.700 -0.061 0.000 0.915 60 T CA -0.092 61.989 62.100 -0.032 0.000 1.066 60 T CB 0.986 69.832 68.868 -0.037 0.000 0.891 60 T HN -0.023 nan 8.240 nan 0.000 0.516 61 R N 2.984 123.443 120.500 -0.067 0.000 2.912 61 R HA 0.722 4.989 4.340 -0.121 0.000 0.262 61 R C -0.632 175.617 176.300 -0.085 0.000 1.057 61 R CA -1.142 54.909 56.100 -0.081 0.000 0.981 61 R CB 1.536 31.795 30.300 -0.068 0.000 1.201 61 R HN 0.732 nan 8.270 nan 0.000 0.484 62 N N -1.649 117.001 118.700 -0.084 0.000 3.046 62 N HA -0.045 4.623 4.740 -0.121 0.000 0.243 62 N C -0.047 175.421 175.510 -0.070 0.000 1.452 62 N CA -0.849 52.165 53.050 -0.061 0.000 0.882 62 N CB 0.780 39.263 38.487 -0.006 0.000 1.425 62 N HN 0.679 nan 8.380 nan 0.000 0.517 63 E N -0.082 120.090 120.200 -0.047 0.000 2.118 63 E HA -0.274 4.004 4.350 -0.121 0.000 0.195 63 E C 0.945 177.476 176.600 -0.116 0.000 0.992 63 E CA 1.455 57.821 56.400 -0.057 0.000 0.804 63 E CB 0.104 29.796 29.700 -0.014 0.000 0.741 63 E HN 0.483 nan 8.360 nan 0.000 0.458 64 K N 0.796 121.094 120.400 -0.169 0.000 2.001 64 K HA -0.072 4.175 4.320 -0.121 0.000 0.208 64 K C 2.169 178.608 176.600 -0.269 0.000 1.048 64 K CA 1.216 57.312 56.287 -0.319 0.000 0.932 64 K CB -0.525 31.658 32.500 -0.529 0.000 0.715 64 K HN 0.179 nan 8.250 nan 0.000 0.437 65 L N 1.013 122.086 121.223 -0.250 0.000 2.079 65 L HA -0.219 4.049 4.340 -0.121 0.000 0.210 65 L C 1.858 178.611 176.870 -0.194 0.000 1.081 65 L CA 1.257 55.919 54.840 -0.295 0.000 0.752 65 L CB -0.566 41.312 42.059 -0.302 0.000 0.896 65 L HN 0.271 nan 8.230 nan 0.000 0.433 66 N N -0.416 118.198 118.700 -0.143 0.000 2.188 66 N HA -0.137 4.531 4.740 -0.121 0.000 0.184 66 N C 2.013 177.462 175.510 -0.102 0.000 1.018 66 N CA 1.626 54.613 53.050 -0.105 0.000 0.858 66 N CB -0.318 38.123 38.487 -0.078 0.000 0.989 66 N HN 0.359 nan 8.380 nan 0.000 0.426 67 S N 0.207 115.836 115.700 -0.118 0.000 2.561 67 S HA 0.105 4.502 4.470 -0.121 0.000 0.225 67 S C 1.770 176.305 174.600 -0.108 0.000 0.977 67 S CA 0.118 58.257 58.200 -0.102 0.000 0.926 67 S CB -0.369 62.771 63.200 -0.100 0.000 0.769 67 S HN 0.206 nan 8.310 nan 0.000 0.533 68 L N 0.737 121.880 121.223 -0.134 0.000 2.478 68 L HA 0.165 4.433 4.340 -0.121 0.000 0.223 68 L C 2.649 179.468 176.870 -0.085 0.000 1.140 68 L CA 0.636 55.403 54.840 -0.120 0.000 0.842 68 L CB -0.372 41.594 42.059 -0.155 0.000 0.953 68 L HN 0.293 nan 8.230 nan 0.000 0.452 69 E N 1.079 121.231 120.200 -0.079 0.000 2.160 69 E HA -0.262 4.015 4.350 -0.121 0.000 0.195 69 E C 1.692 178.269 176.600 -0.039 0.000 0.991 69 E CA 1.581 57.948 56.400 -0.055 0.000 0.810 69 E CB -0.065 29.605 29.700 -0.050 0.000 0.742 69 E HN 0.579 nan 8.360 nan 0.000 0.466 70 D N -0.500 119.876 120.400 -0.040 0.000 2.218 70 D HA -0.139 4.428 4.640 -0.121 0.000 0.204 70 D C 1.653 177.937 176.300 -0.027 0.000 0.976 70 D CA 1.569 55.551 54.000 -0.031 0.000 0.853 70 D CB -0.383 40.398 40.800 -0.031 0.000 0.939 70 D HN 0.305 nan 8.370 nan 0.000 0.481 71 V N -3.124 116.772 119.914 -0.030 0.000 3.621 71 V HA 0.307 4.355 4.120 -0.121 0.000 0.285 71 V C 0.903 176.988 176.094 -0.015 0.000 1.346 71 V CA -0.672 61.615 62.300 -0.021 0.000 1.104 71 V CB -0.663 31.149 31.823 -0.019 0.000 0.913 71 V HN -0.150 nan 8.190 nan 0.000 0.432 72 R N 2.039 122.528 120.500 -0.018 0.000 2.590 72 R HA 0.432 4.699 4.340 -0.121 0.000 0.274 72 R C -0.355 175.942 176.300 -0.005 0.000 1.061 72 R CA 0.230 56.327 56.100 -0.006 0.000 1.081 72 R CB 0.545 30.842 30.300 -0.006 0.000 0.984 72 R HN 0.488 nan 8.270 nan 0.000 0.448 73 K N 0.703 121.105 120.400 0.003 0.000 2.259 73 K HA 0.370 4.618 4.320 -0.121 0.000 0.252 73 K C 0.188 176.800 176.600 0.021 0.000 0.936 73 K CA -0.710 55.568 56.287 -0.015 0.000 0.810 73 K CB 2.273 34.749 32.500 -0.040 0.000 1.143 73 K HN 0.667 nan 8.250 nan 0.000 0.427 74 G N -0.019 108.806 108.800 0.041 0.000 2.531 74 G HA2 0.318 4.205 3.960 -0.121 0.000 0.253 74 G HA3 0.318 4.205 3.960 -0.121 0.000 0.253 74 G C 0.424 175.410 174.900 0.143 0.000 1.439 74 G CA 0.200 45.377 45.100 0.129 0.000 1.056 74 G HN 0.672 nan 8.290 nan 0.000 0.555 75 S N -2.693 113.170 115.700 0.273 0.000 2.571 75 S HA 0.069 4.466 4.470 -0.121 0.000 0.205 75 S C 0.184 174.948 174.600 0.273 0.000 0.865 75 S CA -0.157 58.199 58.200 0.260 0.000 1.315 75 S CB -0.046 63.233 63.200 0.130 0.000 0.952 75 S HN 0.506 nan 8.310 nan 0.000 0.363 76 E N 3.027 123.323 120.200 0.160 0.000 2.452 76 E HA 0.257 4.535 4.350 -0.121 0.000 0.261 76 E C -0.191 176.366 176.600 -0.072 0.000 0.987 76 E CA 0.331 56.763 56.400 0.053 0.000 0.926 76 E CB 0.036 29.755 29.700 0.032 0.000 0.934 76 E HN 0.383 nan 8.360 nan 0.000 0.452 77 N N 0.629 119.277 118.700 -0.087 0.000 2.828 77 N HA -0.218 4.449 4.740 -0.121 0.000 0.248 77 N C -1.171 174.184 175.510 -0.259 0.000 1.044 77 N CA 1.181 54.120 53.050 -0.186 0.000 0.851 77 N CB -1.244 37.083 38.487 -0.268 0.000 1.136 77 N HN 0.374 nan 8.380 nan 0.000 0.572 78 Y N 0.478 120.784 120.300 0.009 0.000 2.457 78 Y HA 0.647 5.125 4.550 -0.120 0.000 0.333 78 Y C 0.844 176.747 175.900 0.005 0.000 1.119 78 Y CA -0.686 57.418 58.100 0.007 0.000 1.143 78 Y CB 1.139 39.604 38.460 0.008 0.000 1.230 78 Y HN 0.113 nan 8.280 nan 0.000 0.469 79 A N 2.482 125.419 122.820 0.195 0.000 2.371 79 A HA 0.403 4.650 4.320 -0.121 0.000 0.257 79 A C -0.766 176.868 177.584 0.084 0.000 1.089 79 A CA -0.502 51.598 52.037 0.104 0.000 0.794 79 A CB 0.088 19.138 19.000 0.083 0.000 1.029 79 A HN 0.687 nan 8.150 nan 0.000 0.488 80 L N 2.858 124.110 121.223 0.049 0.000 2.410 80 L HA 0.481 4.749 4.340 -0.121 0.000 0.273 80 L C 0.681 177.561 176.870 0.016 0.000 1.144 80 L CA 1.163 56.018 54.840 0.025 0.000 0.863 80 L CB 0.209 42.274 42.059 0.010 0.000 1.140 80 L HN 0.908 nan 8.230 nan 0.000 0.463 81 T N 0.451 115.009 114.554 0.006 0.000 2.887 81 T HA 0.666 4.944 4.350 -0.121 0.000 0.292 81 T C 0.261 174.963 174.700 0.003 0.000 1.087 81 T CA -0.176 61.929 62.100 0.010 0.000 1.009 81 T CB 1.021 69.896 68.868 0.013 0.000 1.203 81 T HN 0.786 nan 8.240 nan 0.000 0.518 82 T N 0.387 114.957 114.554 0.026 0.000 2.667 82 T HA 0.180 4.458 4.350 -0.121 0.000 0.305 82 T C 1.110 175.823 174.700 0.022 0.000 1.022 82 T CA -0.394 61.727 62.100 0.036 0.000 0.995 82 T CB -0.124 68.809 68.868 0.107 0.000 1.026 82 T HN 0.570 nan 8.240 nan 0.000 0.527 83 N N 0.488 119.201 118.700 0.022 0.000 2.381 83 N HA -0.072 4.596 4.740 -0.121 0.000 0.182 83 N C 1.645 177.169 175.510 0.024 0.000 1.025 83 N CA 0.676 53.732 53.050 0.009 0.000 0.888 83 N CB -0.208 38.292 38.487 0.021 0.000 0.965 83 N HN 0.558 nan 8.380 nan 0.000 0.438 84 Q N -0.481 119.346 119.800 0.045 0.000 2.403 84 Q HA 0.186 4.454 4.340 -0.121 0.000 0.203 84 Q C 0.786 176.805 176.000 0.031 0.000 0.932 84 Q CA 0.231 56.057 55.803 0.038 0.000 0.945 84 Q CB 0.358 29.125 28.738 0.048 0.000 1.045 84 Q HN 0.409 nan 8.270 nan 0.000 0.511 85 G N 0.394 109.211 108.800 0.029 0.000 2.141 85 G HA2 -0.237 3.651 3.960 -0.121 0.000 0.242 85 G HA3 -0.237 3.651 3.960 -0.121 0.000 0.242 85 G C 0.100 175.024 174.900 0.040 0.000 0.982 85 G CA 0.126 45.239 45.100 0.021 0.000 0.662 85 G HN 0.227 nan 8.290 nan 0.000 0.527 86 V N 1.649 121.604 119.914 0.068 0.000 2.461 86 V HA 0.365 4.412 4.120 -0.121 0.000 0.275 86 V C 1.257 177.392 176.094 0.069 0.000 1.047 86 V CA -0.504 61.849 62.300 0.090 0.000 0.955 86 V CB 1.027 32.951 31.823 0.167 0.000 0.988 86 V HN 0.420 nan 8.190 nan 0.000 0.471 87 R N 4.654 125.187 120.500 0.056 0.000 2.491 87 R HA 0.384 4.652 4.340 -0.121 0.000 0.283 87 R C -0.531 175.785 176.300 0.027 0.000 1.072 87 R CA -0.150 55.973 56.100 0.039 0.000 1.048 87 R CB 0.497 30.819 30.300 0.036 0.000 0.983 87 R HN 0.565 nan 8.270 nan 0.000 0.450 88 I N 2.139 122.714 120.570 0.007 0.000 2.365 88 I HA 0.091 4.189 4.170 -0.121 0.000 0.291 88 I C 1.008 177.116 176.117 -0.014 0.000 1.004 88 I CA 0.154 61.444 61.300 -0.018 0.000 1.311 88 I CB 1.783 39.762 38.000 -0.035 0.000 1.401 88 I HN 0.798 nan 8.210 nan 0.000 0.491 89 A N 4.139 126.947 122.820 -0.020 0.000 1.924 89 A HA 0.030 4.278 4.320 -0.121 0.000 0.211 89 A C 0.650 178.221 177.584 -0.022 0.000 1.198 89 A CA 0.789 52.818 52.037 -0.014 0.000 0.657 89 A CB 0.090 19.084 19.000 -0.009 0.000 0.852 89 A HN 0.673 nan 8.150 nan 0.000 0.454 90 D N -0.473 119.906 120.400 -0.035 0.000 2.440 90 D HA 0.319 4.887 4.640 -0.121 0.000 0.252 90 D C -1.255 175.016 176.300 -0.049 0.000 1.180 90 D CA -0.382 53.596 54.000 -0.037 0.000 0.894 90 D CB 1.147 41.926 40.800 -0.036 0.000 1.111 90 D HN 0.053 nan 8.370 nan 0.000 0.544 91 D N 2.047 122.421 120.400 -0.044 0.000 2.370 91 D HA 0.033 4.600 4.640 -0.121 0.000 0.230 91 D C 0.719 176.989 176.300 -0.051 0.000 1.143 91 D CA 0.333 54.302 54.000 -0.051 0.000 0.834 91 D CB 0.509 41.283 40.800 -0.043 0.000 0.944 91 D HN 0.246 nan 8.370 nan 0.000 0.504 92 Q N -0.656 119.116 119.800 -0.047 0.000 2.350 92 Q HA 0.247 4.515 4.340 -0.121 0.000 0.225 92 Q C -0.098 175.873 176.000 -0.048 0.000 0.878 92 Q CA 0.293 56.069 55.803 -0.045 0.000 0.935 92 Q CB 0.644 29.360 28.738 -0.037 0.000 1.099 92 Q HN 0.213 nan 8.270 nan 0.000 0.527 93 N N 0.054 118.724 118.700 -0.050 0.000 2.242 93 N HA 0.327 4.994 4.740 -0.121 0.000 0.292 93 N C -0.948 174.528 175.510 -0.055 0.000 1.125 93 N CA -0.275 52.746 53.050 -0.048 0.000 0.783 93 N CB 2.075 40.538 38.487 -0.039 0.000 1.558 93 N HN -0.182 nan 8.380 nan 0.000 0.472 94 S N 0.707 116.377 115.700 -0.050 0.000 2.617 94 S HA 0.297 4.694 4.470 -0.121 0.000 0.269 94 S C 0.130 174.705 174.600 -0.042 0.000 1.292 94 S CA -0.595 57.575 58.200 -0.050 0.000 1.010 94 S CB 0.758 63.934 63.200 -0.040 0.000 0.944 94 S HN 0.409 nan 8.310 nan 0.000 0.536 95 L N 3.715 124.912 121.223 -0.042 0.000 2.313 95 L HA 0.439 4.706 4.340 -0.121 0.000 0.282 95 L C 0.059 176.920 176.870 -0.015 0.000 1.092 95 L CA 0.243 55.066 54.840 -0.028 0.000 0.831 95 L CB -0.013 42.030 42.059 -0.026 0.000 1.159 95 L HN 0.715 nan 8.230 nan 0.000 0.442 96 R N 4.282 124.775 120.500 -0.011 0.000 2.867 96 R HA 0.869 5.137 4.340 -0.121 0.000 0.268 96 R C -1.124 175.175 176.300 -0.002 0.000 1.014 96 R CA -0.836 55.260 56.100 -0.006 0.000 0.946 96 R CB 1.224 31.519 30.300 -0.009 0.000 1.208 96 R HN 0.594 nan 8.270 nan 0.000 0.477 97 A N 1.241 124.061 122.820 0.000 0.000 2.650 97 A HA 0.593 4.840 4.320 -0.121 0.000 0.320 97 A C 0.530 178.114 177.584 -0.000 0.000 1.466 97 A CA 0.215 52.253 52.037 0.002 0.000 1.099 97 A CB -0.795 18.208 19.000 0.004 0.000 1.136 97 A HN 1.219 nan 8.150 nan 0.000 0.532 98 G N 0.983 109.782 108.800 -0.001 0.000 2.692 98 G HA2 0.059 3.947 3.960 -0.121 0.000 0.686 98 G HA3 0.059 3.947 3.960 -0.121 0.000 0.686 98 G C 0.648 175.545 174.900 -0.005 0.000 1.243 98 G CA 0.153 45.252 45.100 -0.003 0.000 0.782 98 G HN 1.836 nan 8.290 nan 0.000 0.625 99 S N -0.228 115.468 115.700 -0.006 0.000 2.522 99 S HA 0.063 4.460 4.470 -0.121 0.000 0.227 99 S C 1.494 176.089 174.600 -0.009 0.000 0.986 99 S CA 1.274 59.468 58.200 -0.009 0.000 0.929 99 S CB 0.094 63.289 63.200 -0.009 0.000 0.769 99 S HN 0.730 nan 8.310 nan 0.000 0.529 100 R N 0.723 121.219 120.500 -0.007 0.000 2.613 100 R HA 0.341 4.609 4.340 -0.121 0.000 0.361 100 R C 0.810 177.106 176.300 -0.006 0.000 1.072 100 R CA 0.003 56.098 56.100 -0.007 0.000 1.089 100 R CB 0.862 31.159 30.300 -0.006 0.000 1.343 100 R HN 0.438 nan 8.270 nan 0.000 0.571 101 G N 1.608 110.405 108.800 -0.006 0.000 2.531 101 G HA2 0.360 4.247 3.960 -0.121 0.000 0.313 101 G HA3 0.360 4.247 3.960 -0.121 0.000 0.313 101 G C -2.382 172.516 174.900 -0.004 0.000 1.238 101 G CA -1.135 43.963 45.100 -0.004 0.000 0.994 101 G HN -0.097 nan 8.290 nan 0.000 0.493 102 P HA 0.178 nan 4.420 nan 0.000 0.275 102 P C -0.061 177.238 177.300 -0.001 0.000 1.227 102 P CA -0.021 63.078 63.100 -0.001 0.000 0.781 102 P CB 0.733 32.434 31.700 0.002 0.000 0.906 103 T N 3.445 117.997 114.554 -0.003 0.000 2.916 103 T HA 0.176 4.453 4.350 -0.121 0.000 0.303 103 T C 0.601 175.304 174.700 0.004 0.000 1.025 103 T CA 0.009 62.107 62.100 -0.003 0.000 1.142 103 T CB -0.026 68.838 68.868 -0.007 0.000 0.947 103 T HN 0.206 nan 8.240 nan 0.000 0.544 104 L N 3.540 124.767 121.223 0.006 0.000 2.334 104 L HA 0.302 4.570 4.340 -0.121 0.000 0.277 104 L C 1.417 178.301 176.870 0.024 0.000 1.075 104 L CA -0.759 54.090 54.840 0.016 0.000 0.804 104 L CB 0.937 43.007 42.059 0.018 0.000 1.174 104 L HN 0.529 nan 8.230 nan 0.000 0.438 105 L N 2.231 123.472 121.223 0.030 0.000 2.201 105 L HA -0.173 4.095 4.340 -0.121 0.000 0.212 105 L C 2.306 179.213 176.870 0.061 0.000 1.105 105 L CA 1.548 56.412 54.840 0.041 0.000 0.775 105 L CB -0.511 41.570 42.059 0.036 0.000 0.913 105 L HN 0.788 nan 8.230 nan 0.000 0.440 106 E N -1.479 118.761 120.200 0.067 0.000 2.516 106 E HA -0.181 4.096 4.350 -0.121 0.000 0.199 106 E C 0.177 176.867 176.600 0.150 0.000 1.069 106 E CA 0.208 56.673 56.400 0.108 0.000 0.876 106 E CB -0.451 29.305 29.700 0.093 0.000 0.843 106 E HN 0.347 nan 8.360 nan 0.000 0.530 107 D N 1.185 121.630 120.400 0.075 0.000 2.455 107 D HA -0.043 4.525 4.640 -0.121 0.000 0.234 107 D C 0.500 176.801 176.300 0.001 0.000 1.224 107 D CA -0.432 53.565 54.000 -0.004 0.000 0.999 107 D CB -0.158 40.614 40.800 -0.047 0.000 1.072 107 D HN 0.314 nan 8.370 nan 0.000 0.514 108 F N 2.144 122.102 119.950 0.014 0.000 2.407 108 F HA 0.054 4.508 4.527 -0.121 0.000 0.299 108 F C 1.580 177.391 175.800 0.020 0.000 1.097 108 F CA 0.240 58.251 58.000 0.019 0.000 1.422 108 F CB -0.575 38.434 39.000 0.016 0.000 1.067 108 F HN 0.190 nan 8.300 nan 0.000 0.539 109 I N 0.444 120.582 120.570 -0.721 0.000 2.233 109 I HA -0.194 3.903 4.170 -0.121 0.000 0.243 109 I C 2.502 178.511 176.117 -0.181 0.000 1.093 109 I CA 1.116 62.148 61.300 -0.448 0.000 1.380 109 I CB -0.555 37.113 38.000 -0.553 0.000 1.067 109 I HN 0.287 nan 8.210 nan 0.000 0.413 110 L N 1.121 122.251 121.223 -0.155 0.000 1.989 110 L HA -0.221 4.047 4.340 -0.121 0.000 0.211 110 L C 2.684 179.543 176.870 -0.018 0.000 1.071 110 L CA 1.881 56.676 54.840 -0.075 0.000 0.749 110 L CB -0.537 41.483 42.059 -0.065 0.000 0.890 110 L HN 0.053 nan 8.230 nan 0.000 0.431 111 R N -0.552 119.952 120.500 0.007 0.000 2.091 111 R HA -0.203 4.064 4.340 -0.121 0.000 0.238 111 R C 2.352 178.704 176.300 0.088 0.000 1.136 111 R CA 1.735 57.870 56.100 0.058 0.000 0.959 111 R CB -0.475 29.872 30.300 0.079 0.000 0.856 111 R HN 0.606 nan 8.270 nan 0.000 0.437 112 E N 1.066 121.318 120.200 0.088 0.000 2.106 112 E HA -0.219 4.058 4.350 -0.121 0.000 0.192 112 E C 1.922 178.598 176.600 0.127 0.000 0.984 112 E CA 1.125 57.596 56.400 0.118 0.000 0.806 112 E CB 0.117 29.890 29.700 0.121 0.000 0.750 112 E HN 0.169 nan 8.360 nan 0.000 0.458 113 K N 0.227 120.672 120.400 0.074 0.000 2.097 113 K HA -0.104 4.143 4.320 -0.121 0.000 0.205 113 K C 2.085 178.760 176.600 0.125 0.000 1.050 113 K CA 0.944 57.276 56.287 0.074 0.000 0.938 113 K CB 0.059 32.560 32.500 0.002 0.000 0.718 113 K HN 0.121 nan 8.250 nan 0.000 0.442 114 I N 1.270 121.899 120.570 0.098 0.000 2.353 114 I HA -0.166 3.931 4.170 -0.121 0.000 0.248 114 I C 2.097 178.342 176.117 0.214 0.000 1.119 114 I CA 1.266 62.645 61.300 0.132 0.000 1.417 114 I CB -1.382 36.662 38.000 0.073 0.000 1.078 114 I HN 0.196 nan 8.210 nan 0.000 0.421 115 T N -0.177 114.493 114.554 0.192 0.000 2.708 115 T HA -0.223 4.054 4.350 -0.121 0.000 0.266 115 T C 1.969 176.844 174.700 0.291 0.000 1.037 115 T CA 1.464 63.710 62.100 0.245 0.000 1.146 115 T CB -0.434 68.563 68.868 0.214 0.000 0.865 115 T HN 0.331 nan 8.240 nan 0.000 0.435 116 H N -0.028 119.150 119.070 0.181 0.000 2.353 116 H HA -0.086 4.398 4.556 -0.120 0.000 0.300 116 H C 2.204 177.606 175.328 0.124 0.000 1.090 116 H CA 1.694 57.829 56.048 0.145 0.000 1.327 116 H CB -0.472 29.349 29.762 0.099 0.000 1.383 116 H HN 0.400 nan 8.280 nan 0.000 0.508 117 F N 2.115 122.142 119.950 0.128 0.000 2.095 117 F HA -0.206 4.250 4.527 -0.118 0.000 0.298 117 F C 2.044 177.811 175.800 -0.056 0.000 1.104 117 F CA 1.824 59.846 58.000 0.036 0.000 1.232 117 F CB -0.372 38.641 39.000 0.022 0.000 0.987 117 F HN 0.069 nan 8.300 nan 0.000 0.475 118 D N -1.020 119.336 120.400 -0.073 0.000 2.221 118 D HA -0.177 4.391 4.640 -0.121 0.000 0.204 118 D C 1.357 177.301 176.300 -0.594 0.000 0.982 118 D CA 1.353 55.148 54.000 -0.342 0.000 0.857 118 D CB -0.480 40.120 40.800 -0.333 0.000 0.934 118 D HN 0.520 nan 8.370 nan 0.000 0.475 119 H N -0.164 118.791 119.070 -0.191 0.000 2.486 119 H HA 0.214 4.697 4.556 -0.122 0.000 0.284 119 H C 1.095 176.261 175.328 -0.271 0.000 1.103 119 H CA -0.084 55.842 56.048 -0.204 0.000 1.089 119 H CB 0.512 30.167 29.762 -0.179 0.000 1.603 119 H HN 0.279 nan 8.280 nan 0.000 0.557 120 E N 0.701 120.741 120.200 -0.267 0.000 2.110 120 E HA -0.070 4.208 4.350 -0.121 0.000 0.193 120 E C 0.548 176.998 176.600 -0.249 0.000 0.988 120 E CA 0.660 56.876 56.400 -0.307 0.000 0.804 120 E CB 0.409 29.903 29.700 -0.343 0.000 0.745 120 E HN 0.149 nan 8.360 nan 0.000 0.458 121 R N 1.070 121.476 120.500 -0.157 0.000 2.490 121 R HA 0.342 4.609 4.340 -0.121 0.000 0.278 121 R C 0.426 176.755 176.300 0.049 0.000 1.069 121 R CA -0.210 55.870 56.100 -0.035 0.000 1.080 121 R CB 0.474 30.740 30.300 -0.056 0.000 1.030 121 R HN 0.193 nan 8.270 nan 0.000 0.491 122 I N -1.132 119.524 120.570 0.143 0.000 2.957 122 I HA 0.600 4.698 4.170 -0.121 0.000 0.310 122 I C -2.258 173.912 176.117 0.089 0.000 1.063 122 I CA -2.929 58.447 61.300 0.126 0.000 1.033 122 I CB 1.987 40.089 38.000 0.171 0.000 1.230 122 I HN 0.250 nan 8.210 nan 0.000 0.447 123 P HA 0.117 nan 4.420 nan 0.000 0.268 123 P C -0.880 176.444 177.300 0.040 0.000 1.205 123 P CA -0.075 63.047 63.100 0.036 0.000 0.771 123 P CB 0.446 32.159 31.700 0.021 0.000 0.858 124 E N 2.592 122.817 120.200 0.042 0.000 2.369 124 E HA 0.209 4.487 4.350 -0.121 0.000 0.255 124 E C -0.484 176.134 176.600 0.030 0.000 1.172 124 E CA -0.876 55.554 56.400 0.049 0.000 0.932 124 E CB 0.625 30.360 29.700 0.060 0.000 1.040 124 E HN 0.260 nan 8.360 nan 0.000 0.454 125 R N 0.846 121.366 120.500 0.034 0.000 2.585 125 R HA 0.022 4.289 4.340 -0.121 0.000 0.275 125 R C 1.476 177.795 176.300 0.033 0.000 1.018 125 R CA 0.387 56.500 56.100 0.020 0.000 1.072 125 R CB 0.074 30.402 30.300 0.046 0.000 0.953 125 R HN 0.654 nan 8.270 nan 0.000 0.419 126 I N 0.203 120.783 120.570 0.017 0.000 2.208 126 I HA -0.148 3.949 4.170 -0.121 0.000 0.245 126 I C 0.753 176.912 176.117 0.069 0.000 1.097 126 I CA 1.028 62.350 61.300 0.037 0.000 1.363 126 I CB -0.339 37.682 38.000 0.035 0.000 1.051 126 I HN 0.238 nan 8.210 nan 0.000 0.413 127 V N -2.822 117.160 119.914 0.115 0.000 3.001 127 V HA 0.491 4.539 4.120 -0.121 0.000 0.314 127 V C 0.167 176.424 176.094 0.272 0.000 1.099 127 V CA -0.759 61.649 62.300 0.180 0.000 0.989 127 V CB 1.236 33.242 31.823 0.305 0.000 1.040 127 V HN 0.481 nan 8.190 nan 0.000 0.434 128 H N 0.655 119.775 119.070 0.083 0.000 2.839 128 H HA -0.217 4.264 4.556 -0.125 0.000 0.298 128 H C 1.515 176.880 175.328 0.063 0.000 1.224 128 H CA 0.702 56.795 56.048 0.075 0.000 1.144 128 H CB -1.203 28.591 29.762 0.054 0.000 1.372 128 H HN 1.156 nan 8.280 nan 0.000 0.408 129 A N 0.792 123.698 122.820 0.143 0.000 1.972 129 A HA -0.109 4.138 4.320 -0.121 0.000 0.219 129 A C 1.700 179.369 177.584 0.142 0.000 1.169 129 A CA 1.329 53.438 52.037 0.119 0.000 0.635 129 A CB -0.071 18.979 19.000 0.083 0.000 0.810 129 A HN 0.284 nan 8.150 nan 0.000 0.446 130 R N 0.150 120.735 120.500 0.142 0.000 2.196 130 R HA 0.507 4.775 4.340 -0.121 0.000 0.340 130 R C -0.133 176.290 176.300 0.205 0.000 1.043 130 R CA 0.778 56.979 56.100 0.169 0.000 0.883 130 R CB 0.196 30.582 30.300 0.144 0.000 1.078 130 R HN 0.350 nan 8.270 nan 0.000 0.462 131 G N 0.842 109.789 108.800 0.245 0.000 2.646 131 G HA2 0.454 4.341 3.960 -0.121 0.000 0.291 131 G HA3 0.454 4.341 3.960 -0.121 0.000 0.291 131 G C -1.607 173.466 174.900 0.289 0.000 1.445 131 G CA -0.637 44.590 45.100 0.212 0.000 0.814 131 G HN 0.466 nan 8.290 nan 0.000 0.495 132 S N -0.869 114.962 115.700 0.220 0.000 2.502 132 S HA 0.879 5.276 4.470 -0.121 0.000 0.304 132 S C -0.052 174.582 174.600 0.056 0.000 1.097 132 S CA -0.157 58.214 58.200 0.285 0.000 1.045 132 S CB 1.647 65.129 63.200 0.470 0.000 1.019 132 S HN 1.494 nan 8.310 nan 0.000 0.481 133 A N 1.765 124.563 122.820 -0.037 0.000 2.469 133 A HA 1.014 5.262 4.320 -0.121 0.000 0.299 133 A C -0.901 176.482 177.584 -0.335 0.000 1.098 133 A CA -0.776 51.026 52.037 -0.392 0.000 0.737 133 A CB 1.611 20.212 19.000 -0.665 0.000 1.312 133 A HN 1.233 nan 8.150 nan 0.000 0.414 134 A N 0.647 123.125 122.820 -0.570 0.000 2.606 134 A HA 0.719 4.966 4.320 -0.121 0.000 0.293 134 A C -1.072 176.325 177.584 -0.312 0.000 1.082 134 A CA -0.638 51.221 52.037 -0.297 0.000 0.685 134 A CB 0.787 19.692 19.000 -0.157 0.000 1.284 134 A HN 0.877 nan 8.150 nan 0.000 0.408 135 H N -0.234 118.862 119.070 0.043 0.000 2.505 135 H HA 0.655 5.140 4.556 -0.119 0.000 0.351 135 H C 0.658 175.976 175.328 -0.017 0.000 1.151 135 H CA 1.084 57.210 56.048 0.130 0.000 1.339 135 H CB 1.811 31.637 29.762 0.106 0.000 1.483 135 H HN 1.119 nan 8.280 nan 0.000 0.558 136 G N 0.849 109.736 108.800 0.145 0.000 2.588 136 G HA2 0.367 4.255 3.960 -0.121 0.000 0.281 136 G HA3 0.367 4.255 3.960 -0.121 0.000 0.281 136 G C -2.008 173.013 174.900 0.201 0.000 1.223 136 G CA -0.563 44.572 45.100 0.058 0.000 0.871 136 G HN 0.623 nan 8.290 nan 0.000 0.492 137 Y N -1.871 118.464 120.300 0.059 0.000 2.624 137 Y HA 0.826 5.304 4.550 -0.121 0.000 0.334 137 Y C -1.888 174.149 175.900 0.229 0.000 1.155 137 Y CA -2.008 56.174 58.100 0.137 0.000 1.046 137 Y CB 1.672 40.188 38.460 0.095 0.000 1.316 137 Y HN 0.853 nan 8.280 nan 0.000 0.457 138 F N 1.714 121.840 119.950 0.294 0.000 2.588 138 F HA 0.767 5.223 4.527 -0.118 0.000 0.314 138 F C -1.316 174.717 175.800 0.389 0.000 1.069 138 F CA -0.630 57.549 58.000 0.298 0.000 0.931 138 F CB 2.457 41.743 39.000 0.477 0.000 1.260 138 F HN 0.766 nan 8.300 nan 0.000 0.465 139 Q N 5.286 124.572 119.800 -0.856 0.000 2.320 139 Q HA 0.414 4.681 4.340 -0.121 0.000 0.272 139 Q C -2.758 172.658 176.000 -0.973 0.000 1.023 139 Q CA -2.280 53.181 55.803 -0.571 0.000 0.855 139 Q CB 3.225 31.901 28.738 -0.103 0.000 1.367 139 Q HN 0.319 nan 8.270 nan 0.000 0.406 140 P HA 0.061 nan 4.420 nan 0.000 0.276 140 P C -0.381 176.876 177.300 -0.072 0.000 1.244 140 P CA -0.078 62.844 63.100 -0.297 0.000 0.801 140 P CB 0.591 32.247 31.700 -0.073 0.000 1.006 141 Y N 0.373 120.621 120.300 -0.086 0.000 2.457 141 Y HA 0.053 4.531 4.550 -0.119 0.000 0.292 141 Y C 1.406 177.284 175.900 -0.037 0.000 1.125 141 Y CA 0.766 58.835 58.100 -0.052 0.000 1.254 141 Y CB -0.191 38.245 38.460 -0.040 0.000 1.012 141 Y HN 0.403 nan 8.280 nan 0.000 0.555 142 K N -2.143 118.328 120.400 0.118 0.000 2.658 142 K HA 0.332 4.579 4.320 -0.121 0.000 0.293 142 K C -0.796 175.817 176.600 0.022 0.000 1.026 142 K CA -0.776 55.546 56.287 0.058 0.000 0.871 142 K CB 1.311 33.841 32.500 0.051 0.000 1.524 142 K HN -0.249 nan 8.250 nan 0.000 0.400 143 S N 0.941 116.649 115.700 0.014 0.000 2.516 143 S HA 0.177 4.575 4.470 -0.121 0.000 0.282 143 S C 0.445 175.041 174.600 -0.006 0.000 1.286 143 S CA -0.642 57.558 58.200 -0.001 0.000 1.066 143 S CB -0.279 62.923 63.200 0.003 0.000 0.884 143 S HN 0.512 nan 8.310 nan 0.000 0.491 144 L N 4.984 126.194 121.223 -0.021 0.000 2.848 144 L HA 0.137 4.405 4.340 -0.121 0.000 0.240 144 L C 2.012 178.872 176.870 -0.018 0.000 1.232 144 L CA -0.109 54.725 54.840 -0.010 0.000 1.031 144 L CB -0.280 41.779 42.059 -0.001 0.000 1.338 144 L HN 0.837 nan 8.230 nan 0.000 0.509 145 S N -1.862 113.825 115.700 -0.021 0.000 2.442 145 S HA -0.177 4.221 4.470 -0.121 0.000 0.236 145 S C 1.265 175.851 174.600 -0.024 0.000 1.007 145 S CA 1.034 59.219 58.200 -0.025 0.000 0.965 145 S CB -0.166 63.023 63.200 -0.018 0.000 0.773 145 S HN 0.402 nan 8.310 nan 0.000 0.504 146 D N 2.061 122.451 120.400 -0.016 0.000 2.219 146 D HA 0.036 4.603 4.640 -0.121 0.000 0.205 146 D C 1.782 178.065 176.300 -0.028 0.000 0.970 146 D CA 1.287 55.277 54.000 -0.018 0.000 0.851 146 D CB -0.187 40.608 40.800 -0.008 0.000 0.943 146 D HN 0.785 nan 8.370 nan 0.000 0.488 147 I N -3.985 116.570 120.570 -0.026 0.000 4.139 147 I HA 0.216 4.313 4.170 -0.121 0.000 0.320 147 I C 0.587 176.661 176.117 -0.071 0.000 1.290 147 I CA -0.051 61.223 61.300 -0.043 0.000 1.253 147 I CB 0.979 38.974 38.000 -0.008 0.000 1.122 147 I HN -0.254 nan 8.210 nan 0.000 0.421 148 T N 1.568 116.084 114.554 -0.062 0.000 2.956 148 T HA 0.314 4.592 4.350 -0.121 0.000 0.312 148 T C -0.148 174.505 174.700 -0.079 0.000 1.151 148 T CA -0.736 61.310 62.100 -0.090 0.000 1.024 148 T CB 1.776 70.580 68.868 -0.106 0.000 1.140 148 T HN 0.418 nan 8.240 nan 0.000 0.473 149 K N 2.532 122.884 120.400 -0.080 0.000 2.437 149 K HA 0.588 4.835 4.320 -0.121 0.000 0.198 149 K C 0.654 177.226 176.600 -0.047 0.000 1.024 149 K CA -0.359 55.894 56.287 -0.057 0.000 1.148 149 K CB 0.242 32.711 32.500 -0.053 0.000 0.860 149 K HN 0.489 nan 8.250 nan 0.000 0.515 150 A N 1.919 124.693 122.820 -0.075 0.000 2.522 150 A HA -0.035 4.213 4.320 -0.121 0.000 0.256 150 A C 0.489 178.057 177.584 -0.027 0.000 1.086 150 A CA 0.009 52.020 52.037 -0.044 0.000 0.763 150 A CB 0.133 19.069 19.000 -0.108 0.000 1.024 150 A HN 0.498 nan 8.150 nan 0.000 0.502 151 D N 2.140 122.597 120.400 0.096 0.000 2.144 151 D HA -0.187 4.381 4.640 -0.121 0.000 0.200 151 D C 1.339 177.732 176.300 0.156 0.000 0.978 151 D CA 2.031 56.096 54.000 0.108 0.000 0.833 151 D CB -0.197 40.682 40.800 0.132 0.000 0.961 151 D HN 0.705 nan 8.370 nan 0.000 0.470 152 F N -0.287 119.698 119.950 0.059 0.000 2.546 152 F HA 0.147 4.603 4.527 -0.119 0.000 0.298 152 F C 1.075 176.974 175.800 0.164 0.000 1.120 152 F CA 0.526 58.604 58.000 0.130 0.000 1.456 152 F CB -0.527 38.562 39.000 0.148 0.000 1.088 152 F HN -0.018 nan 8.300 nan 0.000 0.572 153 L N 0.588 121.517 121.223 -0.489 0.000 2.728 153 L HA 0.178 4.445 4.340 -0.121 0.000 0.238 153 L C 1.983 178.773 176.870 -0.134 0.000 1.143 153 L CA 0.513 55.131 54.840 -0.369 0.000 0.937 153 L CB -0.277 41.451 42.059 -0.551 0.000 1.225 153 L HN 0.331 nan 8.230 nan 0.000 0.507 154 S N -2.313 113.349 115.700 -0.064 0.000 2.558 154 S HA 0.036 4.433 4.470 -0.121 0.000 0.217 154 S C 0.330 174.932 174.600 0.003 0.000 0.975 154 S CA -0.117 58.069 58.200 -0.024 0.000 0.912 154 S CB 0.066 63.266 63.200 -0.001 0.000 0.776 154 S HN 0.362 nan 8.310 nan 0.000 0.526 155 D N 0.479 120.889 120.400 0.017 0.000 2.937 155 D HA 0.295 4.862 4.640 -0.121 0.000 0.215 155 D C -2.612 173.708 176.300 0.033 0.000 1.274 155 D CA -1.685 52.331 54.000 0.028 0.000 0.869 155 D CB 2.093 42.916 40.800 0.039 0.000 1.675 155 D HN -0.152 nan 8.370 nan 0.000 0.538 156 P HA -0.007 nan 4.420 nan 0.000 0.230 156 P C 0.206 177.529 177.300 0.038 0.000 1.158 156 P CA 0.696 63.817 63.100 0.034 0.000 0.769 156 P CB 0.303 32.032 31.700 0.048 0.000 0.807 157 N N -0.538 118.186 118.700 0.040 0.000 2.336 157 N HA 0.016 4.684 4.740 -0.121 0.000 0.189 157 N C 0.677 176.219 175.510 0.053 0.000 1.113 157 N CA -0.113 52.961 53.050 0.040 0.000 0.858 157 N CB 0.048 38.553 38.487 0.031 0.000 0.970 157 N HN 0.116 nan 8.380 nan 0.000 0.471 158 K N 2.043 122.486 120.400 0.072 0.000 2.267 158 K HA 0.254 4.502 4.320 -0.121 0.000 0.282 158 K C -0.913 175.777 176.600 0.150 0.000 1.078 158 K CA -0.257 56.095 56.287 0.107 0.000 0.903 158 K CB 0.413 32.983 32.500 0.117 0.000 1.111 158 K HN 0.010 nan 8.250 nan 0.000 0.475 159 I N 3.788 124.446 120.570 0.147 0.000 2.331 159 I HA 0.134 4.232 4.170 -0.121 0.000 0.292 159 I C -0.108 176.175 176.117 0.277 0.000 0.998 159 I CA -0.518 60.899 61.300 0.196 0.000 1.267 159 I CB 1.858 39.915 38.000 0.095 0.000 1.386 159 I HN 0.546 nan 8.210 nan 0.000 0.476 160 T N 7.360 122.168 114.554 0.423 0.000 2.770 160 T HA 0.356 4.634 4.350 -0.121 0.000 0.283 160 T C -2.473 172.488 174.700 0.434 0.000 0.988 160 T CA -1.410 60.965 62.100 0.458 0.000 0.957 160 T CB 1.493 70.751 68.868 0.651 0.000 0.930 160 T HN 0.253 nan 8.240 nan 0.000 0.443 161 P HA 0.305 nan 4.420 nan 0.000 0.271 161 P C -0.704 176.830 177.300 0.390 0.000 1.218 161 P CA -0.447 62.848 63.100 0.325 0.000 0.780 161 P CB 0.591 32.413 31.700 0.202 0.000 0.901 162 V N -0.089 119.997 119.914 0.288 0.000 3.040 162 V HA 0.737 4.784 4.120 -0.121 0.000 0.312 162 V C -1.410 174.820 176.094 0.227 0.000 1.115 162 V CA -0.972 61.391 62.300 0.106 0.000 0.998 162 V CB 2.286 33.961 31.823 -0.248 0.000 1.042 162 V HN 0.320 nan 8.190 nan 0.000 0.433 163 F N 2.191 122.097 119.950 -0.074 0.000 2.536 163 F HA 0.832 5.284 4.527 -0.124 0.000 0.322 163 F C -0.864 174.820 175.800 -0.193 0.000 1.144 163 F CA -0.752 57.151 58.000 -0.161 0.000 0.924 163 F CB 1.879 40.792 39.000 -0.145 0.000 1.181 163 F HN 0.527 nan 8.300 nan 0.000 0.438 164 V N 6.631 126.094 119.914 -0.752 0.000 2.513 164 V HA 0.576 4.623 4.120 -0.121 0.000 0.299 164 V C -0.600 174.859 176.094 -1.058 0.000 1.035 164 V CA -0.839 60.946 62.300 -0.858 0.000 0.889 164 V CB 1.922 33.159 31.823 -0.976 0.000 0.988 164 V HN 0.724 nan 8.190 nan 0.000 0.440 165 R N 3.360 123.256 120.500 -1.006 0.000 2.439 165 R HA 0.612 4.879 4.340 -0.121 0.000 0.310 165 R C -1.739 174.025 176.300 -0.893 0.000 0.955 165 R CA -0.425 55.200 56.100 -0.793 0.000 0.853 165 R CB 1.104 31.162 30.300 -0.404 0.000 1.171 165 R HN 0.514 nan 8.270 nan 0.000 0.449 166 F N 1.789 121.356 119.950 -0.639 0.000 2.432 166 F HA 0.559 5.014 4.527 -0.120 0.000 0.329 166 F C 0.470 175.914 175.800 -0.593 0.000 1.076 166 F CA -0.053 57.425 58.000 -0.869 0.000 1.018 166 F CB 2.158 40.178 39.000 -1.632 0.000 1.201 166 F HN 0.665 nan 8.300 nan 0.000 0.489 167 S N -1.052 114.536 115.700 -0.186 0.000 2.643 167 S HA 0.710 5.108 4.470 -0.121 0.000 0.270 167 S C -0.618 174.101 174.600 0.197 0.000 1.166 167 S CA -0.670 57.578 58.200 0.081 0.000 0.815 167 S CB 1.427 64.728 63.200 0.167 0.000 1.139 167 S HN 0.733 nan 8.310 nan 0.000 0.472 168 T N -1.891 112.779 114.554 0.194 0.000 2.893 168 T HA 0.742 5.020 4.350 -0.121 0.000 0.281 168 T C 0.681 175.335 174.700 -0.076 0.000 1.027 168 T CA -0.125 62.052 62.100 0.128 0.000 0.953 168 T CB 0.617 69.574 68.868 0.148 0.000 1.434 168 T HN 0.671 nan 8.240 nan 0.000 0.597 169 V N -0.130 119.708 119.914 -0.127 0.000 2.996 169 V HA 0.138 4.185 4.120 -0.121 0.000 0.235 169 V C 2.687 178.707 176.094 -0.123 0.000 1.205 169 V CA 0.319 62.423 62.300 -0.326 0.000 1.225 169 V CB -0.111 31.594 31.823 -0.195 0.000 0.995 169 V HN 0.860 nan 8.190 nan 0.000 0.484 170 Q N 1.134 120.897 119.800 -0.061 0.000 2.089 170 Q HA 0.083 4.351 4.340 -0.121 0.000 0.195 170 Q C 1.278 177.257 176.000 -0.035 0.000 0.963 170 Q CA 1.344 57.112 55.803 -0.059 0.000 0.834 170 Q CB -0.174 28.516 28.738 -0.080 0.000 0.906 170 Q HN 0.578 nan 8.270 nan 0.000 0.452 171 G N -0.084 108.709 108.800 -0.012 0.000 2.606 171 G HA2 0.395 4.283 3.960 -0.121 0.000 0.252 171 G HA3 0.395 4.283 3.960 -0.121 0.000 0.252 171 G C 0.129 175.037 174.900 0.014 0.000 1.206 171 G CA 0.061 45.158 45.100 -0.004 0.000 0.861 171 G HN 0.326 nan 8.290 nan 0.000 0.561 172 G N -1.000 107.803 108.800 0.006 0.000 2.699 172 G HA2 0.457 4.344 3.960 -0.121 0.000 0.246 172 G HA3 0.457 4.344 3.960 -0.121 0.000 0.246 172 G C 1.375 176.302 174.900 0.045 0.000 1.219 172 G CA 0.469 45.580 45.100 0.019 0.000 0.866 172 G HN 1.115 nan 8.290 nan 0.000 0.572 173 A N -0.151 122.706 122.820 0.061 0.000 2.024 173 A HA 0.058 4.305 4.320 -0.121 0.000 0.220 173 A C 2.343 179.961 177.584 0.055 0.000 1.164 173 A CA 2.139 54.229 52.037 0.088 0.000 0.643 173 A CB -0.479 18.586 19.000 0.108 0.000 0.806 173 A HN 1.151 nan 8.150 nan 0.000 0.451 174 G N -0.426 108.389 108.800 0.025 0.000 3.141 174 G HA2 0.300 4.187 3.960 -0.121 0.000 0.218 174 G HA3 0.300 4.187 3.960 -0.121 0.000 0.218 174 G C 0.833 175.733 174.900 0.001 0.000 1.170 174 G CA 0.723 45.823 45.100 0.001 0.000 0.769 174 G HN 0.702 nan 8.290 nan 0.000 0.546 175 S N -0.124 115.585 115.700 0.014 0.000 2.652 175 S HA 0.735 5.132 4.470 -0.121 0.000 0.267 175 S C 0.424 175.037 174.600 0.023 0.000 1.201 175 S CA -0.060 58.145 58.200 0.009 0.000 0.996 175 S CB 1.420 64.626 63.200 0.010 0.000 1.054 175 S HN 0.538 nan 8.310 nan 0.000 0.561 176 A N -0.095 122.736 122.820 0.019 0.000 2.279 176 A HA 0.488 4.736 4.320 -0.121 0.000 0.303 176 A C 0.519 178.128 177.584 0.042 0.000 1.108 176 A CA -0.648 51.398 52.037 0.015 0.000 0.830 176 A CB 0.081 19.073 19.000 -0.013 0.000 1.106 176 A HN 0.844 nan 8.150 nan 0.000 0.493 177 D N 0.383 120.801 120.400 0.028 0.000 2.162 177 D HA -0.058 4.510 4.640 -0.121 0.000 0.205 177 D C 1.480 177.766 176.300 -0.024 0.000 0.964 177 D CA 2.173 56.205 54.000 0.053 0.000 0.847 177 D CB -0.216 40.584 40.800 0.000 0.000 0.988 177 D HN 0.673 nan 8.370 nan 0.000 0.480 178 T N 0.054 114.518 114.554 -0.149 0.000 3.327 178 T HA 0.297 4.575 4.350 -0.121 0.000 0.241 178 T C 0.829 175.520 174.700 -0.014 0.000 0.907 178 T CA -0.583 61.421 62.100 -0.160 0.000 0.931 178 T CB -0.953 67.735 68.868 -0.300 0.000 1.112 178 T HN -0.103 nan 8.240 nan 0.000 0.589 179 V N -1.252 118.706 119.914 0.073 0.000 3.441 179 V HA 0.447 4.494 4.120 -0.121 0.000 0.300 179 V C 0.750 176.983 176.094 0.232 0.000 1.091 179 V CA -1.446 60.943 62.300 0.148 0.000 1.099 179 V CB 0.386 32.282 31.823 0.121 0.000 1.138 179 V HN 0.571 nan 8.190 nan 0.000 0.471 180 R N 1.395 122.076 120.500 0.302 0.000 2.216 180 R HA 0.479 4.747 4.340 -0.121 0.000 0.332 180 R C -0.989 175.382 176.300 0.118 0.000 1.056 180 R CA -0.061 56.167 56.100 0.214 0.000 0.901 180 R CB 0.159 30.511 30.300 0.087 0.000 1.039 180 R HN 1.060 nan 8.270 nan 0.000 0.456 181 D N 3.150 123.631 120.400 0.135 0.000 2.764 181 D HA 0.191 4.758 4.640 -0.121 0.000 0.293 181 D C -0.749 175.649 176.300 0.164 0.000 1.287 181 D CA -0.597 53.471 54.000 0.113 0.000 0.768 181 D CB 1.149 42.010 40.800 0.101 0.000 1.288 181 D HN 0.214 nan 8.370 nan 0.000 0.426 182 I N 1.142 121.823 120.570 0.185 0.000 2.823 182 I HA 0.301 4.399 4.170 -0.121 0.000 0.290 182 I C 0.736 176.972 176.117 0.199 0.000 1.091 182 I CA -0.167 61.250 61.300 0.195 0.000 1.365 182 I CB 0.267 38.407 38.000 0.233 0.000 1.427 182 I HN 0.258 nan 8.210 nan 0.000 0.583 183 R N 2.426 123.064 120.500 0.231 0.000 2.514 183 R HA 0.541 4.809 4.340 -0.121 0.000 0.301 183 R C -0.056 176.413 176.300 0.282 0.000 0.962 183 R CA -0.765 55.486 56.100 0.252 0.000 0.882 183 R CB 1.301 31.774 30.300 0.287 0.000 1.143 183 R HN 0.794 nan 8.270 nan 0.000 0.452 184 G N 0.954 109.942 108.800 0.314 0.000 2.476 184 G HA2 0.440 4.328 3.960 -0.121 0.000 0.269 184 G HA3 0.440 4.328 3.960 -0.121 0.000 0.269 184 G C -1.203 173.784 174.900 0.144 0.000 1.195 184 G CA -0.037 45.250 45.100 0.312 0.000 0.843 184 G HN 0.374 nan 8.290 nan 0.000 0.545 185 F N 1.638 121.495 119.950 -0.155 0.000 3.090 185 F HA 0.622 5.074 4.527 -0.124 0.000 0.381 185 F C -0.224 175.279 175.800 -0.494 0.000 1.231 185 F CA -1.819 55.989 58.000 -0.320 0.000 1.177 185 F CB 0.873 39.794 39.000 -0.131 0.000 1.598 185 F HN 0.666 nan 8.300 nan 0.000 0.589 186 A N 3.187 125.731 122.820 -0.459 0.000 2.304 186 A HA 0.793 5.041 4.320 -0.121 0.000 0.323 186 A C -0.557 176.533 177.584 -0.824 0.000 1.195 186 A CA -0.427 51.147 52.037 -0.771 0.000 0.826 186 A CB 0.826 18.982 19.000 -1.407 0.000 1.184 186 A HN 0.525 nan 8.150 nan 0.000 0.496 187 T N 2.352 116.581 114.554 -0.541 0.000 2.809 187 T HA 0.384 4.661 4.350 -0.121 0.000 0.284 187 T C -0.384 174.100 174.700 -0.360 0.000 0.992 187 T CA -0.473 61.342 62.100 -0.476 0.000 0.957 187 T CB 1.024 69.584 68.868 -0.513 0.000 0.942 187 T HN 0.633 nan 8.240 nan 0.000 0.439 188 K N 3.647 123.922 120.400 -0.209 0.000 2.281 188 K HA 0.444 4.692 4.320 -0.121 0.000 0.272 188 K C -1.228 175.033 176.600 -0.566 0.000 1.048 188 K CA -0.594 55.505 56.287 -0.313 0.000 0.898 188 K CB 0.324 32.606 32.500 -0.364 0.000 1.128 188 K HN 0.375 nan 8.250 nan 0.000 0.460 189 F N 4.148 123.812 119.950 -0.477 0.000 2.411 189 F HA 0.227 4.680 4.527 -0.124 0.000 0.355 189 F C -0.350 175.253 175.800 -0.329 0.000 1.117 189 F CA -0.515 57.272 58.000 -0.355 0.000 1.139 189 F CB 0.640 39.348 39.000 -0.487 0.000 1.120 189 F HN 0.429 nan 8.300 nan 0.000 0.493 190 Y N 1.816 122.175 120.300 0.098 0.000 2.714 190 Y HA 0.234 4.713 4.550 -0.119 0.000 0.333 190 Y C 0.995 176.955 175.900 0.100 0.000 1.220 190 Y CA -0.893 57.247 58.100 0.067 0.000 1.513 190 Y CB -0.117 38.372 38.460 0.048 0.000 1.435 190 Y HN 0.570 nan 8.280 nan 0.000 0.489 191 T N -2.463 112.190 114.554 0.165 0.000 2.824 191 T HA 0.172 4.450 4.350 -0.121 0.000 0.277 191 T C 1.000 175.797 174.700 0.162 0.000 0.975 191 T CA -0.639 61.564 62.100 0.172 0.000 0.966 191 T CB 1.057 69.998 68.868 0.123 0.000 1.054 191 T HN 0.638 nan 8.240 nan 0.000 0.533 192 E N -0.064 120.235 120.200 0.165 0.000 2.427 192 E HA -0.018 4.259 4.350 -0.121 0.000 0.196 192 E C 0.918 177.587 176.600 0.115 0.000 1.028 192 E CA 0.627 57.106 56.400 0.131 0.000 0.864 192 E CB 0.135 29.909 29.700 0.123 0.000 0.813 192 E HN 0.730 nan 8.360 nan 0.000 0.514 193 E N 0.216 120.487 120.200 0.118 0.000 2.685 193 E HA 0.286 4.563 4.350 -0.121 0.000 0.208 193 E C 0.080 176.731 176.600 0.085 0.000 0.996 193 E CA -0.291 56.170 56.400 0.102 0.000 1.054 193 E CB 1.320 31.083 29.700 0.104 0.000 1.075 193 E HN 0.171 nan 8.360 nan 0.000 0.460 194 G N 1.079 109.923 108.800 0.073 0.000 2.392 194 G HA2 -0.095 3.792 3.960 -0.121 0.000 0.677 194 G HA3 -0.095 3.792 3.960 -0.121 0.000 0.677 194 G C -0.958 173.949 174.900 0.012 0.000 1.334 194 G CA -1.135 43.984 45.100 0.032 0.000 0.961 194 G HN 0.033 nan 8.290 nan 0.000 0.616 195 I N 0.630 121.169 120.570 -0.052 0.000 2.496 195 I HA 0.408 4.506 4.170 -0.121 0.000 0.285 195 I C -0.042 176.068 176.117 -0.011 0.000 1.080 195 I CA -0.040 61.200 61.300 -0.101 0.000 1.404 195 I CB 0.938 38.805 38.000 -0.222 0.000 1.403 195 I HN 0.469 nan 8.210 nan 0.000 0.539 196 F N 6.585 126.424 119.950 -0.184 0.000 2.460 196 F HA 0.441 4.894 4.527 -0.122 0.000 0.341 196 F C -0.627 175.138 175.800 -0.059 0.000 1.130 196 F CA -1.371 56.515 58.000 -0.190 0.000 0.962 196 F CB 0.707 39.430 39.000 -0.461 0.000 1.171 196 F HN 0.338 nan 8.300 nan 0.000 0.436 197 D N 6.672 126.859 120.400 -0.356 0.000 2.274 197 D HA 0.232 4.800 4.640 -0.121 0.000 0.239 197 D C -0.831 175.010 176.300 -0.765 0.000 1.104 197 D CA -0.113 53.641 54.000 -0.409 0.000 0.840 197 D CB 2.126 42.880 40.800 -0.076 0.000 1.100 197 D HN 0.506 nan 8.370 nan 0.000 0.477 198 L N 3.994 124.719 121.223 -0.830 0.000 2.272 198 L HA 0.258 4.526 4.340 -0.121 0.000 0.284 198 L C -1.054 175.592 176.870 -0.373 0.000 1.045 198 L CA -0.605 53.834 54.840 -0.668 0.000 0.842 198 L CB 1.040 42.727 42.059 -0.619 0.000 1.224 198 L HN 0.066 nan 8.230 nan 0.000 0.430 199 V N 6.111 125.852 119.914 -0.289 0.000 2.270 199 V HA 0.733 4.780 4.120 -0.121 0.000 0.263 199 V C 0.818 176.814 176.094 -0.164 0.000 1.066 199 V CA 0.004 62.145 62.300 -0.264 0.000 0.857 199 V CB 0.149 31.807 31.823 -0.275 0.000 1.099 199 V HN 0.872 nan 8.190 nan 0.000 0.476 200 G N 3.375 112.087 108.800 -0.147 0.000 3.013 200 G HA2 0.649 4.537 3.960 -0.121 0.000 0.278 200 G HA3 0.649 4.537 3.960 -0.121 0.000 0.278 200 G C -0.855 174.059 174.900 0.023 0.000 1.353 200 G CA -0.638 44.424 45.100 -0.064 0.000 1.043 200 G HN 0.472 nan 8.290 nan 0.000 0.523 201 N N -0.882 117.875 118.700 0.094 0.000 3.002 201 N HA 0.242 4.909 4.740 -0.121 0.000 0.331 201 N C 0.421 176.095 175.510 0.272 0.000 1.384 201 N CA -0.715 52.453 53.050 0.198 0.000 0.780 201 N CB 1.053 39.654 38.487 0.190 0.000 1.492 201 N HN 0.540 nan 8.380 nan 0.000 0.608 202 N N -1.333 117.545 118.700 0.298 0.000 2.270 202 N HA -0.006 4.662 4.740 -0.121 0.000 0.198 202 N C -0.475 175.269 175.510 0.391 0.000 1.117 202 N CA -0.102 53.173 53.050 0.376 0.000 0.845 202 N CB -0.179 38.512 38.487 0.340 0.000 0.980 202 N HN 0.524 nan 8.380 nan 0.000 0.486 203 T N -3.247 111.356 114.554 0.082 0.000 2.893 203 T HA 0.449 4.726 4.350 -0.121 0.000 0.291 203 T C -2.483 171.584 174.700 -1.055 0.000 1.028 203 T CA -1.752 59.994 62.100 -0.590 0.000 0.995 203 T CB 2.955 71.400 68.868 -0.705 0.000 1.051 203 T HN -0.243 nan 8.240 nan 0.000 0.470 204 P HA 0.161 nan 4.420 nan 0.000 0.245 204 P C 0.351 177.117 177.300 -0.890 0.000 1.212 204 P CA 0.164 62.298 63.100 -1.610 0.000 0.774 204 P CB -0.159 30.593 31.700 -1.581 0.000 0.999 205 I N -5.079 114.964 120.570 -0.878 0.000 3.174 205 I HA 0.537 4.634 4.170 -0.121 0.000 0.313 205 I C -1.112 174.728 176.117 -0.462 0.000 1.155 205 I CA -1.898 59.041 61.300 -0.600 0.000 0.977 205 I CB 1.122 38.732 38.000 -0.651 0.000 1.248 205 I HN -0.297 nan 8.210 nan 0.000 0.453 206 F N 1.149 120.826 119.950 -0.455 0.000 2.518 206 F HA 0.570 5.029 4.527 -0.113 0.000 0.338 206 F C 0.497 176.051 175.800 -0.410 0.000 1.065 206 F CA -0.936 56.826 58.000 -0.396 0.000 1.012 206 F CB 1.334 40.234 39.000 -0.167 0.000 1.297 206 F HN 0.373 nan 8.300 nan 0.000 0.489 207 F N 1.638 120.863 119.950 -1.207 0.000 2.367 207 F HA 0.132 4.584 4.527 -0.125 0.000 0.298 207 F C 0.585 176.101 175.800 -0.474 0.000 1.094 207 F CA 0.779 58.226 58.000 -0.921 0.000 1.409 207 F CB -0.239 37.836 39.000 -1.541 0.000 1.064 207 F HN 0.152 nan 8.300 nan 0.000 0.528 208 I N -3.734 116.804 120.570 -0.053 0.000 3.042 208 I HA 0.392 4.489 4.170 -0.121 0.000 0.310 208 I C 0.328 176.584 176.117 0.231 0.000 1.117 208 I CA -0.820 60.558 61.300 0.130 0.000 1.003 208 I CB 1.918 40.038 38.000 0.200 0.000 1.228 208 I HN -0.195 nan 8.210 nan 0.000 0.443 209 Q N 0.248 120.190 119.800 0.236 0.000 2.324 209 Q HA 0.156 4.423 4.340 -0.121 0.000 0.207 209 Q C -0.296 175.874 176.000 0.282 0.000 0.928 209 Q CA 0.583 56.563 55.803 0.295 0.000 0.890 209 Q CB 0.492 29.469 28.738 0.398 0.000 1.001 209 Q HN 0.659 nan 8.270 nan 0.000 0.517 210 D N -0.948 119.592 120.400 0.234 0.000 2.505 210 D HA 0.315 4.882 4.640 -0.121 0.000 0.249 210 D C 0.005 176.431 176.300 0.211 0.000 1.082 210 D CA -0.251 53.859 54.000 0.183 0.000 0.839 210 D CB 1.846 42.727 40.800 0.136 0.000 1.317 210 D HN 0.056 nan 8.370 nan 0.000 0.497 211 A N 3.363 126.277 122.820 0.158 0.000 2.076 211 A HA -0.234 4.014 4.320 -0.121 0.000 0.220 211 A C 1.766 179.469 177.584 0.199 0.000 1.160 211 A CA 1.593 53.722 52.037 0.153 0.000 0.653 211 A CB -0.752 18.276 19.000 0.047 0.000 0.801 211 A HN 0.808 nan 8.150 nan 0.000 0.455 212 H N 0.033 119.165 119.070 0.103 0.000 2.457 212 H HA -0.004 4.483 4.556 -0.115 0.000 0.297 212 H C 1.482 176.889 175.328 0.132 0.000 1.092 212 H CA 1.788 57.891 56.048 0.092 0.000 1.309 212 H CB 0.090 29.883 29.762 0.051 0.000 1.382 212 H HN 0.383 nan 8.280 nan 0.000 0.535 213 K N -0.602 119.924 120.400 0.209 0.000 2.404 213 K HA -0.030 4.218 4.320 -0.121 0.000 0.194 213 K C 1.140 177.877 176.600 0.227 0.000 1.023 213 K CA -0.114 56.293 56.287 0.200 0.000 1.094 213 K CB 0.116 32.790 32.500 0.290 0.000 0.841 213 K HN 0.250 nan 8.250 nan 0.000 0.523 214 F N 3.107 123.113 119.950 0.092 0.000 2.095 214 F HA -0.112 4.334 4.527 -0.136 0.000 0.298 214 F C -1.066 174.748 175.800 0.024 0.000 1.104 214 F CA 1.128 59.206 58.000 0.131 0.000 1.232 214 F CB -0.643 38.431 39.000 0.122 0.000 0.987 214 F HN 0.017 nan 8.300 nan 0.000 0.475 215 P HA -0.131 nan 4.420 nan 0.000 0.218 215 P C 1.141 178.150 177.300 -0.485 0.000 1.149 215 P CA 1.739 64.632 63.100 -0.343 0.000 0.817 215 P CB -0.041 31.464 31.700 -0.325 0.000 0.785 216 D N -1.347 118.905 120.400 -0.246 0.000 2.084 216 D HA -0.136 4.431 4.640 -0.121 0.000 0.196 216 D C 1.763 177.820 176.300 -0.405 0.000 0.985 216 D CA 0.979 54.883 54.000 -0.159 0.000 0.826 216 D CB -0.811 40.058 40.800 0.115 0.000 0.978 216 D HN 0.089 nan 8.370 nan 0.000 0.456 217 F N 2.083 121.642 119.950 -0.651 0.000 2.069 217 F HA -0.226 4.222 4.527 -0.131 0.000 0.298 217 F C 2.231 177.637 175.800 -0.656 0.000 1.113 217 F CA 1.103 58.498 58.000 -1.008 0.000 1.214 217 F CB -0.511 38.124 39.000 -0.608 0.000 0.978 217 F HN -0.240 nan 8.300 nan 0.000 0.474 218 V N 0.194 119.660 119.914 -0.747 0.000 2.343 218 V HA -0.331 3.717 4.120 -0.121 0.000 0.247 218 V C 2.376 178.251 176.094 -0.365 0.000 1.051 218 V CA 2.407 64.326 62.300 -0.634 0.000 1.036 218 V CB -1.045 30.459 31.823 -0.533 0.000 0.654 218 V HN 0.469 nan 8.190 nan 0.000 0.451 219 H N -0.257 118.603 119.070 -0.350 0.000 2.387 219 H HA -0.134 4.351 4.556 -0.119 0.000 0.299 219 H C 2.311 177.497 175.328 -0.237 0.000 1.099 219 H CA 1.025 56.942 56.048 -0.218 0.000 1.315 219 H CB 0.051 29.738 29.762 -0.125 0.000 1.380 219 H HN 0.490 nan 8.280 nan 0.000 0.513 220 A N 0.384 123.036 122.820 -0.280 0.000 1.930 220 A HA -0.100 4.147 4.320 -0.121 0.000 0.217 220 A C 2.487 179.935 177.584 -0.227 0.000 1.175 220 A CA 1.318 53.197 52.037 -0.264 0.000 0.627 220 A CB -0.626 18.099 19.000 -0.458 0.000 0.815 220 A HN 0.305 nan 8.150 nan 0.000 0.443 221 V N -0.228 119.411 119.914 -0.458 0.000 2.649 221 V HA 0.008 4.055 4.120 -0.121 0.000 0.248 221 V C 0.908 176.968 176.094 -0.058 0.000 1.054 221 V CA 0.764 62.865 62.300 -0.331 0.000 1.073 221 V CB -0.461 30.961 31.823 -0.667 0.000 0.699 221 V HN 0.338 nan 8.190 nan 0.000 0.463 222 K N 1.109 121.439 120.400 -0.117 0.000 2.156 222 K HA 0.199 4.447 4.320 -0.121 0.000 0.242 222 K C -2.283 174.268 176.600 -0.082 0.000 1.033 222 K CA -1.507 54.730 56.287 -0.084 0.000 0.878 222 K CB -0.531 31.917 32.500 -0.087 0.000 1.057 222 K HN 0.180 nan 8.250 nan 0.000 0.505 223 P HA -0.012 nan 4.420 nan 0.000 0.265 223 P C -0.597 176.643 177.300 -0.100 0.000 1.193 223 P CA 0.404 63.372 63.100 -0.219 0.000 0.765 223 P CB 0.305 31.888 31.700 -0.196 0.000 0.823 224 E N 5.543 125.730 120.200 -0.023 0.000 2.392 224 E HA 0.007 4.284 4.350 -0.121 0.000 0.264 224 E C -1.239 175.453 176.600 0.154 0.000 1.024 224 E CA -1.383 55.118 56.400 0.168 0.000 0.903 224 E CB 0.175 30.101 29.700 0.376 0.000 0.963 224 E HN 0.431 nan 8.360 nan 0.000 0.432 225 P HA -0.215 nan 4.420 nan 0.000 0.221 225 P C 0.993 178.376 177.300 0.138 0.000 1.150 225 P CA 1.401 64.553 63.100 0.086 0.000 0.800 225 P CB 0.054 31.776 31.700 0.038 0.000 0.787 226 H N -0.774 118.333 119.070 0.062 0.000 2.326 226 H HA -0.083 4.400 4.556 -0.122 0.000 0.301 226 H C 1.464 176.897 175.328 0.174 0.000 1.081 226 H CA 1.445 57.519 56.048 0.044 0.000 1.334 226 H CB -1.354 28.364 29.762 -0.073 0.000 1.385 226 H HN 0.331 nan 8.280 nan 0.000 0.504 227 W N -0.210 120.742 121.300 -0.580 0.000 2.714 227 W HA 0.708 5.294 4.660 -0.123 0.000 0.353 227 W C 0.318 176.674 176.519 -0.271 0.000 0.999 227 W CA -1.345 55.773 57.345 -0.378 0.000 1.629 227 W CB -0.751 28.435 29.460 -0.456 0.000 1.106 227 W HN 0.422 nan 8.180 nan 0.000 0.545 228 A N 1.574 124.363 122.820 -0.052 0.000 2.519 228 A HA -0.116 4.132 4.320 -0.121 0.000 0.297 228 A C -0.452 176.897 177.584 -0.391 0.000 1.472 228 A CA 1.473 53.407 52.037 -0.172 0.000 0.739 228 A CB -2.333 16.594 19.000 -0.122 0.000 1.096 228 A HN 0.479 nan 8.150 nan 0.000 0.414 229 I N 0.896 121.103 120.570 -0.606 0.000 2.686 229 I HA 0.546 4.644 4.170 -0.121 0.000 0.295 229 I C -2.499 173.331 176.117 -0.478 0.000 1.114 229 I CA -2.294 58.561 61.300 -0.743 0.000 1.038 229 I CB 3.026 40.118 38.000 -1.513 0.000 1.238 229 I HN 0.251 nan 8.210 nan 0.000 0.420 230 P HA 0.329 nan 4.420 nan 0.000 0.289 230 P C -1.578 175.567 177.300 -0.258 0.000 1.293 230 P CA -0.850 62.041 63.100 -0.348 0.000 0.897 230 P CB 1.547 33.122 31.700 -0.209 0.000 1.166 231 Q N 0.456 120.148 119.800 -0.181 0.000 2.267 231 Q HA 0.489 4.757 4.340 -0.121 0.000 0.255 231 Q C 1.048 177.012 176.000 -0.060 0.000 0.923 231 Q CA 0.891 56.623 55.803 -0.119 0.000 0.925 231 Q CB -0.294 28.383 28.738 -0.103 0.000 1.195 231 Q HN 0.815 nan 8.270 nan 0.000 0.417 232 G N 3.142 111.916 108.800 -0.043 0.000 2.225 232 G HA2 -0.299 3.588 3.960 -0.121 0.000 0.267 232 G HA3 -0.299 3.588 3.960 -0.121 0.000 0.267 232 G C -0.350 174.561 174.900 0.019 0.000 1.024 232 G CA 0.610 45.707 45.100 -0.004 0.000 0.784 232 G HN 0.545 nan 8.290 nan 0.000 0.507 233 Q N -1.146 118.656 119.800 0.003 0.000 2.345 233 Q HA 0.560 4.827 4.340 -0.121 0.000 0.275 233 Q C 0.789 176.801 176.000 0.021 0.000 1.063 233 Q CA -0.122 55.709 55.803 0.047 0.000 0.819 233 Q CB 1.793 30.600 28.738 0.115 0.000 1.356 233 Q HN 0.435 nan 8.270 nan 0.000 0.418 234 S N -0.588 115.025 115.700 -0.145 0.000 2.556 234 S HA 0.200 4.597 4.470 -0.121 0.000 0.216 234 S C 0.889 175.422 174.600 -0.111 0.000 0.970 234 S CA -0.036 57.864 58.200 -0.501 0.000 0.912 234 S CB 0.380 62.739 63.200 -1.401 0.000 0.790 234 S HN 0.592 nan 8.310 nan 0.000 0.504 235 A N 2.429 125.374 122.820 0.209 0.000 3.048 235 A HA 0.478 4.726 4.320 -0.121 0.000 0.264 235 A C 0.128 177.940 177.584 0.381 0.000 1.796 235 A CA -0.504 51.742 52.037 0.348 0.000 1.445 235 A CB -1.333 17.814 19.000 0.246 0.000 1.074 235 A HN 0.890 nan 8.150 nan 0.000 0.621 236 H N -3.536 115.724 119.070 0.316 0.000 3.017 236 H HA 0.524 5.006 4.556 -0.123 0.000 0.346 236 H C -0.268 175.255 175.328 0.325 0.000 1.286 236 H CA -0.846 55.352 56.048 0.251 0.000 1.120 236 H CB 0.419 30.293 29.762 0.187 0.000 1.860 236 H HN 0.077 nan 8.280 nan 0.000 0.542 237 D N 0.246 120.818 120.400 0.287 0.000 2.133 237 D HA -0.209 4.358 4.640 -0.121 0.000 0.195 237 D C 2.130 178.500 176.300 0.116 0.000 0.997 237 D CA 2.927 57.036 54.000 0.182 0.000 0.840 237 D CB -0.386 40.494 40.800 0.133 0.000 0.947 237 D HN 0.789 nan 8.370 nan 0.000 0.452 238 T N -1.804 112.822 114.554 0.119 0.000 2.867 238 T HA -0.173 4.104 4.350 -0.121 0.000 0.268 238 T C 1.887 176.539 174.700 -0.081 0.000 1.057 238 T CA 0.573 62.709 62.100 0.060 0.000 1.136 238 T CB -0.641 68.313 68.868 0.144 0.000 0.874 238 T HN 0.173 nan 8.240 nan 0.000 0.466 239 F N 0.893 120.535 119.950 -0.513 0.000 2.060 239 F HA 0.089 4.541 4.527 -0.125 0.000 0.295 239 F C 1.843 177.370 175.800 -0.455 0.000 1.120 239 F CA 0.796 58.419 58.000 -0.628 0.000 1.205 239 F CB -0.614 37.811 39.000 -0.959 0.000 0.986 239 F HN 0.140 nan 8.300 nan 0.000 0.470 240 W N 0.772 122.001 121.300 -0.119 0.000 2.421 240 W HA -0.127 4.464 4.660 -0.115 0.000 0.270 240 W C 2.243 178.677 176.519 -0.143 0.000 1.233 240 W CA 1.057 58.318 57.345 -0.139 0.000 1.226 240 W CB -0.635 28.828 29.460 0.006 0.000 1.121 240 W HN 0.131 nan 8.180 nan 0.000 0.579 241 D N -0.664 119.767 120.400 0.052 0.000 2.084 241 D HA -0.284 4.284 4.640 -0.121 0.000 0.196 241 D C 1.913 178.201 176.300 -0.020 0.000 0.985 241 D CA 1.438 55.451 54.000 0.022 0.000 0.826 241 D CB -0.583 40.242 40.800 0.042 0.000 0.978 241 D HN 0.175 nan 8.370 nan 0.000 0.456 242 Y N 0.486 120.680 120.300 -0.176 0.000 2.145 242 Y HA -0.181 4.298 4.550 -0.118 0.000 0.286 242 Y C 2.213 177.976 175.900 -0.228 0.000 1.145 242 Y CA 1.472 59.457 58.100 -0.192 0.000 1.148 242 Y CB -0.463 37.849 38.460 -0.247 0.000 0.981 242 Y HN -0.096 nan 8.280 nan 0.000 0.507 243 V N 0.054 119.846 119.914 -0.203 0.000 2.295 243 V HA -0.318 3.729 4.120 -0.121 0.000 0.246 243 V C 2.647 178.682 176.094 -0.098 0.000 1.049 243 V CA 2.206 64.376 62.300 -0.215 0.000 1.024 243 V CB -1.199 30.378 31.823 -0.411 0.000 0.648 243 V HN 0.657 nan 8.190 nan 0.000 0.447 244 S N -0.297 115.386 115.700 -0.028 0.000 2.442 244 S HA -0.064 4.333 4.470 -0.121 0.000 0.236 244 S C 1.693 176.254 174.600 -0.065 0.000 1.007 244 S CA 1.368 59.572 58.200 0.006 0.000 0.965 244 S CB -0.425 62.803 63.200 0.046 0.000 0.773 244 S HN 0.563 nan 8.310 nan 0.000 0.504 245 L N -0.058 121.077 121.223 -0.146 0.000 2.585 245 L HA 0.338 4.606 4.340 -0.121 0.000 0.226 245 L C 0.453 177.154 176.870 -0.283 0.000 1.113 245 L CA 0.072 54.801 54.840 -0.184 0.000 0.876 245 L CB 0.069 42.016 42.059 -0.187 0.000 1.072 245 L HN 0.250 nan 8.230 nan 0.000 0.468 246 Q N 0.441 120.032 119.800 -0.348 0.000 3.090 246 Q HA 0.232 4.499 4.340 -0.121 0.000 0.241 246 Q C -1.950 173.844 176.000 -0.343 0.000 0.958 246 Q CA -1.448 54.115 55.803 -0.399 0.000 0.715 246 Q CB 1.615 30.017 28.738 -0.560 0.000 1.298 246 Q HN -0.022 nan 8.270 nan 0.000 0.468 247 P HA -0.220 nan 4.420 nan 0.000 0.225 247 P C 0.972 177.973 177.300 -0.499 0.000 1.148 247 P CA 1.099 63.948 63.100 -0.419 0.000 0.779 247 P CB 0.266 31.696 31.700 -0.450 0.000 0.780 248 E N 0.750 120.551 120.200 -0.664 0.000 2.219 248 E HA -0.203 4.075 4.350 -0.121 0.000 0.198 248 E C 1.501 178.070 176.600 -0.052 0.000 0.998 248 E CA 1.980 58.252 56.400 -0.213 0.000 0.818 248 E CB -1.406 28.243 29.700 -0.085 0.000 0.741 248 E HN 0.309 nan 8.360 nan 0.000 0.477 249 T N -0.389 114.136 114.554 -0.049 0.000 2.995 249 T HA -0.020 4.258 4.350 -0.121 0.000 0.269 249 T C 2.015 176.784 174.700 0.116 0.000 1.091 249 T CA 0.661 62.791 62.100 0.050 0.000 1.128 249 T CB -0.383 68.528 68.868 0.070 0.000 0.891 249 T HN 0.143 nan 8.240 nan 0.000 0.492 250 L N 0.195 121.489 121.223 0.119 0.000 2.042 250 L HA -0.117 4.150 4.340 -0.121 0.000 0.210 250 L C 2.869 179.911 176.870 0.287 0.000 1.076 250 L CA 1.982 56.962 54.840 0.233 0.000 0.749 250 L CB -0.867 41.339 42.059 0.245 0.000 0.893 250 L HN 0.459 nan 8.230 nan 0.000 0.432 251 H N 0.046 119.176 119.070 0.099 0.000 2.290 251 H HA -0.225 4.259 4.556 -0.120 0.000 0.298 251 H C 2.196 177.536 175.328 0.021 0.000 1.087 251 H CA 1.936 58.041 56.048 0.096 0.000 1.291 251 H CB 0.173 29.952 29.762 0.028 0.000 1.369 251 H HN 0.382 nan 8.280 nan 0.000 0.492 252 N N -0.247 118.295 118.700 -0.264 0.000 2.244 252 N HA -0.127 4.540 4.740 -0.121 0.000 0.183 252 N C 1.961 177.352 175.510 -0.199 0.000 1.016 252 N CA 0.703 53.397 53.050 -0.593 0.000 0.866 252 N CB 0.273 37.939 38.487 -1.368 0.000 0.980 252 N HN 0.113 nan 8.380 nan 0.000 0.430 253 V N 1.728 121.724 119.914 0.136 0.000 2.287 253 V HA -0.273 3.775 4.120 -0.121 0.000 0.248 253 V C 2.506 178.728 176.094 0.214 0.000 1.053 253 V CA 1.311 63.807 62.300 0.327 0.000 1.027 253 V CB -0.381 31.677 31.823 0.393 0.000 0.646 253 V HN 0.403 nan 8.190 nan 0.000 0.447 254 M N -1.527 118.239 119.600 0.276 0.000 2.073 254 M HA -0.236 4.171 4.480 -0.121 0.000 0.258 254 M C 2.092 178.371 176.300 -0.036 0.000 1.070 254 M CA 2.049 57.497 55.300 0.247 0.000 1.103 254 M CB -1.291 31.495 32.600 0.310 0.000 1.321 254 M HN 0.476 nan 8.290 nan 0.000 0.405 255 W N 0.442 121.464 121.300 -0.462 0.000 2.358 255 W HA -0.087 4.503 4.660 -0.117 0.000 0.303 255 W C 2.828 179.262 176.519 -0.142 0.000 1.208 255 W CA 1.814 58.875 57.345 -0.473 0.000 1.274 255 W CB -1.162 27.966 29.460 -0.553 0.000 1.138 255 W HN 0.311 nan 8.180 nan 0.000 0.515 256 A N -0.499 122.396 122.820 0.125 0.000 1.940 256 A HA -0.207 4.040 4.320 -0.121 0.000 0.219 256 A C 1.945 179.569 177.584 0.066 0.000 1.176 256 A CA 1.843 53.952 52.037 0.120 0.000 0.631 256 A CB -0.619 18.480 19.000 0.165 0.000 0.814 256 A HN 0.124 nan 8.150 nan 0.000 0.446 257 M N 0.647 120.243 119.600 -0.007 0.000 2.492 257 M HA 0.012 4.419 4.480 -0.121 0.000 0.262 257 M C 1.444 177.782 176.300 0.063 0.000 1.090 257 M CA 0.829 56.072 55.300 -0.095 0.000 1.110 257 M CB -1.364 30.935 32.600 -0.503 0.000 1.407 257 M HN 0.561 nan 8.290 nan 0.000 0.470 258 S N 0.118 115.907 115.700 0.148 0.000 2.641 258 S HA 0.097 4.495 4.470 -0.121 0.000 0.261 258 S C 0.691 175.418 174.600 0.212 0.000 1.257 258 S CA -0.451 57.883 58.200 0.223 0.000 0.983 258 S CB 0.896 64.268 63.200 0.287 0.000 0.990 258 S HN 0.158 nan 8.310 nan 0.000 0.572 259 D N 0.049 120.598 120.400 0.249 0.000 2.378 259 D HA 0.057 4.625 4.640 -0.121 0.000 0.227 259 D C 1.776 178.227 176.300 0.252 0.000 1.012 259 D CA 0.270 54.437 54.000 0.277 0.000 0.905 259 D CB -0.120 40.914 40.800 0.390 0.000 0.895 259 D HN 0.362 nan 8.370 nan 0.000 0.532 260 R N 0.006 120.647 120.500 0.235 0.000 2.152 260 R HA -0.012 4.255 4.340 -0.121 0.000 0.232 260 R C 1.974 178.426 176.300 0.255 0.000 1.117 260 R CA 0.835 57.095 56.100 0.266 0.000 0.981 260 R CB -0.639 29.879 30.300 0.364 0.000 0.870 260 R HN 0.151 nan 8.270 nan 0.000 0.451 261 G N 1.226 110.160 108.800 0.224 0.000 2.848 261 G HA2 0.019 3.906 3.960 -0.121 0.000 0.208 261 G HA3 0.019 3.906 3.960 -0.121 0.000 0.208 261 G C 0.957 175.993 174.900 0.226 0.000 1.152 261 G CA -0.012 45.210 45.100 0.204 0.000 0.789 261 G HN 0.389 nan 8.290 nan 0.000 0.531 262 I N -2.305 118.411 120.570 0.243 0.000 2.926 262 I HA 0.362 4.459 4.170 -0.121 0.000 0.295 262 I C -2.957 173.317 176.117 0.261 0.000 1.463 262 I CA -2.509 58.942 61.300 0.252 0.000 0.892 262 I CB 1.734 39.880 38.000 0.244 0.000 1.874 262 I HN -0.281 nan 8.210 nan 0.000 0.620 263 P HA 0.066 nan 4.420 nan 0.000 0.268 263 P C 0.608 178.079 177.300 0.285 0.000 1.208 263 P CA -0.125 63.104 63.100 0.215 0.000 0.777 263 P CB 0.935 32.695 31.700 0.100 0.000 0.875 264 R N 1.473 122.108 120.500 0.226 0.000 2.115 264 R HA 0.079 4.347 4.340 -0.121 0.000 0.226 264 R C 0.317 176.789 176.300 0.285 0.000 1.100 264 R CA 1.321 57.601 56.100 0.300 0.000 0.980 264 R CB -0.191 30.240 30.300 0.218 0.000 0.875 264 R HN 0.494 nan 8.270 nan 0.000 0.445 265 S N -2.562 113.101 115.700 -0.062 0.000 2.567 265 S HA 0.215 4.612 4.470 -0.121 0.000 0.270 265 S C -0.486 173.820 174.600 -0.489 0.000 1.152 265 S CA -0.876 57.108 58.200 -0.360 0.000 0.835 265 S CB 0.187 63.301 63.200 -0.143 0.000 1.115 265 S HN 0.114 nan 8.310 nan 0.000 0.459 266 Y N 2.043 121.962 120.300 -0.635 0.000 2.497 266 Y HA 0.132 4.611 4.550 -0.119 0.000 0.292 266 Y C 2.330 177.858 175.900 -0.619 0.000 1.137 266 Y CA 0.779 58.373 58.100 -0.844 0.000 1.285 266 Y CB -0.283 37.282 38.460 -1.493 0.000 0.991 266 Y HN 0.532 nan 8.280 nan 0.000 0.556 267 R N -0.569 119.793 120.500 -0.230 0.000 2.193 267 R HA -0.015 4.252 4.340 -0.121 0.000 0.213 267 R C 1.082 177.342 176.300 -0.065 0.000 1.055 267 R CA 1.473 57.493 56.100 -0.133 0.000 0.995 267 R CB -0.294 29.923 30.300 -0.139 0.000 0.893 267 R HN 0.301 nan 8.270 nan 0.000 0.459 268 T N -1.242 113.290 114.554 -0.037 0.000 3.268 268 T HA 0.375 4.652 4.350 -0.121 0.000 0.258 268 T C 0.177 174.920 174.700 0.071 0.000 0.966 268 T CA -0.654 61.453 62.100 0.012 0.000 0.952 268 T CB -0.171 68.688 68.868 -0.014 0.000 1.132 268 T HN 0.069 nan 8.240 nan 0.000 0.536 269 M N -1.252 118.434 119.600 0.144 0.000 2.593 269 M HA 0.735 5.143 4.480 -0.121 0.000 0.290 269 M C -1.219 175.260 176.300 0.299 0.000 1.244 269 M CA -0.915 54.509 55.300 0.207 0.000 0.857 269 M CB 2.169 34.890 32.600 0.201 0.000 1.738 269 M HN -0.132 nan 8.290 nan 0.000 0.461 270 E N 0.370 120.735 120.200 0.276 0.000 2.312 270 E HA 0.720 4.997 4.350 -0.121 0.000 0.259 270 E C -0.318 176.338 176.600 0.093 0.000 1.122 270 E CA -0.689 55.802 56.400 0.152 0.000 0.922 270 E CB 1.779 31.462 29.700 -0.027 0.000 1.109 270 E HN 0.862 nan 8.360 nan 0.000 0.442 271 G N 0.517 109.189 108.800 -0.213 0.000 2.563 271 G HA2 0.648 4.535 3.960 -0.121 0.000 0.302 271 G HA3 0.648 4.535 3.960 -0.121 0.000 0.302 271 G C -1.547 172.953 174.900 -0.667 0.000 1.301 271 G CA -0.454 44.493 45.100 -0.255 0.000 0.965 271 G HN 0.280 nan 8.290 nan 0.000 0.480 272 F N -0.581 119.268 119.950 -0.168 0.000 2.628 272 F HA 0.496 4.949 4.527 -0.123 0.000 0.309 272 F C 1.056 176.738 175.800 -0.196 0.000 1.108 272 F CA -0.398 57.438 58.000 -0.273 0.000 0.971 272 F CB 2.474 41.282 39.000 -0.320 0.000 1.279 272 F HN 0.627 nan 8.300 nan 0.000 0.441 273 G N 0.956 109.791 108.800 0.059 0.000 2.623 273 G HA2 0.113 4.001 3.960 -0.121 0.000 0.214 273 G HA3 0.113 4.001 3.960 -0.121 0.000 0.214 273 G C 1.229 176.161 174.900 0.052 0.000 1.138 273 G CA 0.923 46.107 45.100 0.140 0.000 0.794 273 G HN 0.785 nan 8.290 nan 0.000 0.535 274 I N -1.088 119.455 120.570 -0.045 0.000 4.624 274 I HA -0.323 3.775 4.170 -0.121 0.000 0.049 274 I C 0.525 176.524 176.117 -0.197 0.000 0.621 274 I CA 1.522 62.682 61.300 -0.233 0.000 0.836 274 I CB -1.257 36.502 38.000 -0.402 0.000 0.765 274 I HN 0.251 nan 8.210 nan 0.000 0.159 275 H N 2.266 121.345 119.070 0.015 0.000 2.771 275 H HA 0.218 4.699 4.556 -0.124 0.000 0.364 275 H C 0.104 175.363 175.328 -0.116 0.000 1.133 275 H CA 0.516 56.476 56.048 -0.146 0.000 1.423 275 H CB 0.275 29.779 29.762 -0.431 0.000 1.425 275 H HN 0.192 nan 8.280 nan 0.000 0.606 276 T N 3.982 118.497 114.554 -0.065 0.000 2.779 276 T HA 0.210 4.487 4.350 -0.121 0.000 0.296 276 T C 0.257 174.886 174.700 -0.119 0.000 0.938 276 T CA 0.041 62.092 62.100 -0.082 0.000 1.119 276 T CB -0.275 68.485 68.868 -0.181 0.000 0.891 276 T HN 0.220 nan 8.240 nan 0.000 0.526 277 F N 1.594 121.522 119.950 -0.037 0.000 2.561 277 F HA 0.674 5.126 4.527 -0.125 0.000 0.384 277 F C 1.047 176.825 175.800 -0.037 0.000 1.131 277 F CA -1.281 56.730 58.000 0.018 0.000 1.133 277 F CB 1.109 40.139 39.000 0.051 0.000 1.506 277 F HN 0.186 nan 8.300 nan 0.000 0.499 278 R N 0.290 120.868 120.500 0.129 0.000 2.686 278 R HA 0.631 4.899 4.340 -0.121 0.000 0.286 278 R C -1.705 174.491 176.300 -0.174 0.000 0.969 278 R CA -0.815 55.229 56.100 -0.094 0.000 0.898 278 R CB 2.006 32.191 30.300 -0.192 0.000 1.183 278 R HN 0.412 nan 8.270 nan 0.000 0.456 279 L N 3.882 124.949 121.223 -0.260 0.000 2.309 279 L HA 0.533 4.801 4.340 -0.121 0.000 0.282 279 L C -0.436 176.278 176.870 -0.260 0.000 1.036 279 L CA -0.866 53.824 54.840 -0.251 0.000 0.806 279 L CB 1.248 43.158 42.059 -0.249 0.000 1.220 279 L HN 0.356 nan 8.230 nan 0.000 0.429 280 I N 2.785 123.223 120.570 -0.219 0.000 2.436 280 I HA 0.300 4.397 4.170 -0.121 0.000 0.289 280 I C -0.266 175.761 176.117 -0.151 0.000 1.010 280 I CA -0.666 60.506 61.300 -0.214 0.000 1.098 280 I CB 1.428 39.306 38.000 -0.204 0.000 1.266 280 I HN 0.637 nan 8.210 nan 0.000 0.434 281 N N 4.775 123.398 118.700 -0.128 0.000 2.491 281 N HA 0.407 5.074 4.740 -0.121 0.000 0.279 281 N C 0.746 176.214 175.510 -0.071 0.000 1.236 281 N CA -0.403 52.594 53.050 -0.089 0.000 0.982 281 N CB 0.735 39.176 38.487 -0.075 0.000 1.194 281 N HN 0.522 nan 8.380 nan 0.000 0.582 282 A N -0.486 122.302 122.820 -0.053 0.000 2.067 282 A HA -0.092 4.155 4.320 -0.121 0.000 0.219 282 A C 1.559 179.122 177.584 -0.035 0.000 1.158 282 A CA 1.250 53.262 52.037 -0.041 0.000 0.661 282 A CB -0.783 18.200 19.000 -0.029 0.000 0.801 282 A HN 0.791 nan 8.150 nan 0.000 0.452 283 E N -1.560 118.620 120.200 -0.034 0.000 2.427 283 E HA 0.258 4.536 4.350 -0.121 0.000 0.196 283 E C 1.263 177.851 176.600 -0.020 0.000 1.028 283 E CA 0.777 57.161 56.400 -0.025 0.000 0.864 283 E CB -0.032 29.653 29.700 -0.024 0.000 0.813 283 E HN 0.729 nan 8.360 nan 0.000 0.514 284 G N 1.400 110.184 108.800 -0.028 0.000 2.157 284 G HA2 -0.343 3.544 3.960 -0.121 0.000 0.239 284 G HA3 -0.343 3.544 3.960 -0.121 0.000 0.239 284 G C 0.230 175.139 174.900 0.015 0.000 0.982 284 G CA 0.241 45.344 45.100 0.005 0.000 0.650 284 G HN 0.284 nan 8.290 nan 0.000 0.527 285 K N 0.723 121.095 120.400 -0.047 0.000 2.298 285 K HA 0.692 4.940 4.320 -0.121 0.000 0.280 285 K C 0.487 176.949 176.600 -0.231 0.000 1.032 285 K CA 0.182 56.415 56.287 -0.089 0.000 0.958 285 K CB 0.829 33.282 32.500 -0.078 0.000 0.978 285 K HN 0.704 nan 8.250 nan 0.000 0.472 286 A N 3.500 126.076 122.820 -0.408 0.000 2.301 286 A HA 0.426 4.673 4.320 -0.121 0.000 0.312 286 A C -0.785 176.484 177.584 -0.526 0.000 1.182 286 A CA -0.607 51.032 52.037 -0.663 0.000 0.826 286 A CB 1.063 19.245 19.000 -1.364 0.000 1.134 286 A HN 0.768 nan 8.150 nan 0.000 0.501 287 T N 2.369 116.653 114.554 -0.451 0.000 2.824 287 T HA 0.530 4.808 4.350 -0.121 0.000 0.282 287 T C -0.630 173.859 174.700 -0.351 0.000 0.993 287 T CA -0.120 61.766 62.100 -0.356 0.000 0.967 287 T CB 0.465 69.210 68.868 -0.205 0.000 0.960 287 T HN 0.333 nan 8.240 nan 0.000 0.441 288 F N 2.207 122.060 119.950 -0.162 0.000 2.471 288 F HA 0.517 4.970 4.527 -0.122 0.000 0.353 288 F C 0.572 176.250 175.800 -0.204 0.000 1.113 288 F CA -0.436 57.464 58.000 -0.167 0.000 1.262 288 F CB 0.658 39.580 39.000 -0.130 0.000 1.146 288 F HN 0.206 nan 8.300 nan 0.000 0.578 289 V N 4.708 124.579 119.914 -0.072 0.000 3.049 289 V HA 0.644 4.692 4.120 -0.121 0.000 0.309 289 V C -1.115 174.769 176.094 -0.350 0.000 1.148 289 V CA -0.833 61.279 62.300 -0.313 0.000 0.990 289 V CB 2.355 33.763 31.823 -0.691 0.000 1.039 289 V HN 0.762 nan 8.190 nan 0.000 0.430 290 R N 4.432 124.753 120.500 -0.297 0.000 2.513 290 R HA 0.529 4.797 4.340 -0.121 0.000 0.301 290 R C -1.769 174.470 176.300 -0.102 0.000 0.968 290 R CA -0.419 55.578 56.100 -0.171 0.000 0.872 290 R CB 2.041 32.349 30.300 0.014 0.000 1.177 290 R HN 0.586 nan 8.270 nan 0.000 0.444 291 F N 2.477 122.462 119.950 0.058 0.000 2.394 291 F HA 0.368 4.821 4.527 -0.123 0.000 0.340 291 F C 0.982 176.685 175.800 -0.162 0.000 1.105 291 F CA -0.060 57.932 58.000 -0.013 0.000 1.124 291 F CB 0.898 39.791 39.000 -0.178 0.000 1.145 291 F HN 0.210 nan 8.300 nan 0.000 0.505 292 H N 1.230 120.290 119.070 -0.018 0.000 2.768 292 H HA 0.254 4.739 4.556 -0.119 0.000 0.371 292 H C -1.555 173.544 175.328 -0.382 0.000 1.151 292 H CA -1.010 54.917 56.048 -0.202 0.000 1.165 292 H CB 1.981 31.713 29.762 -0.050 0.000 1.722 292 H HN 0.680 nan 8.280 nan 0.000 0.543 293 W N 2.428 123.618 121.300 -0.182 0.000 2.538 293 W HA 0.316 4.902 4.660 -0.125 0.000 0.322 293 W C -0.109 176.426 176.519 0.026 0.000 1.028 293 W CA -0.771 56.503 57.345 -0.117 0.000 1.228 293 W CB 1.728 30.939 29.460 -0.414 0.000 1.356 293 W HN 0.282 nan 8.180 nan 0.000 0.452 294 K N 5.924 126.581 120.400 0.429 0.000 2.307 294 K HA 0.388 4.635 4.320 -0.121 0.000 0.263 294 K C -2.448 174.368 176.600 0.359 0.000 0.973 294 K CA -1.923 54.554 56.287 0.317 0.000 0.846 294 K CB 1.587 34.223 32.500 0.226 0.000 1.100 294 K HN 0.057 nan 8.250 nan 0.000 0.438 295 P HA 0.032 nan 4.420 nan 0.000 0.276 295 P C 0.363 177.678 177.300 0.024 0.000 1.264 295 P CA -0.051 63.127 63.100 0.130 0.000 0.769 295 P CB 0.756 32.546 31.700 0.150 0.000 0.840 296 L N 2.856 124.038 121.223 -0.068 0.000 2.478 296 L HA -0.042 4.225 4.340 -0.121 0.000 0.223 296 L C 2.211 179.062 176.870 -0.032 0.000 1.140 296 L CA 0.914 55.746 54.840 -0.014 0.000 0.842 296 L CB -0.494 41.567 42.059 0.003 0.000 0.953 296 L HN 0.342 nan 8.230 nan 0.000 0.452 297 A N 0.048 122.820 122.820 -0.081 0.000 2.238 297 A HA 0.402 4.650 4.320 -0.121 0.000 0.208 297 A C 1.247 178.827 177.584 -0.007 0.000 1.177 297 A CA 0.668 52.677 52.037 -0.048 0.000 0.804 297 A CB -0.387 18.566 19.000 -0.078 0.000 0.823 297 A HN 0.443 nan 8.150 nan 0.000 0.482 298 G N -0.540 108.271 108.800 0.018 0.000 2.746 298 G HA2 -0.135 3.753 3.960 -0.121 0.000 0.685 298 G HA3 -0.135 3.753 3.960 -0.121 0.000 0.685 298 G C -0.639 174.287 174.900 0.044 0.000 1.350 298 G CA -0.462 44.666 45.100 0.047 0.000 0.837 298 G HN 0.448 nan 8.290 nan 0.000 0.564 299 K N 0.204 120.634 120.400 0.050 0.000 2.201 299 K HA 0.693 4.940 4.320 -0.121 0.000 0.278 299 K C 0.217 176.808 176.600 -0.016 0.000 1.027 299 K CA 0.246 56.545 56.287 0.020 0.000 0.909 299 K CB 1.702 34.197 32.500 -0.010 0.000 1.062 299 K HN 1.522 nan 8.250 nan 0.000 0.465 300 A N 1.806 124.613 122.820 -0.021 0.000 2.555 300 A HA 0.522 4.770 4.320 -0.121 0.000 0.297 300 A C -1.123 176.517 177.584 0.094 0.000 1.060 300 A CA -0.671 51.328 52.037 -0.063 0.000 0.710 300 A CB 1.647 20.400 19.000 -0.413 0.000 1.282 300 A HN 0.516 nan 8.150 nan 0.000 0.399 301 S N 0.632 116.552 115.700 0.368 0.000 2.671 301 S HA 0.782 5.179 4.470 -0.121 0.000 0.299 301 S C 0.039 174.952 174.600 0.521 0.000 1.116 301 S CA -0.609 57.834 58.200 0.406 0.000 0.912 301 S CB 1.192 64.627 63.200 0.391 0.000 1.130 301 S HN 0.645 nan 8.310 nan 0.000 0.501 302 L N 1.152 122.570 121.223 0.324 0.000 2.600 302 L HA 0.572 4.840 4.340 -0.121 0.000 0.221 302 L C -0.091 176.876 176.870 0.162 0.000 1.197 302 L CA -0.780 54.172 54.840 0.188 0.000 0.838 302 L CB 0.179 42.260 42.059 0.036 0.000 1.474 302 L HN 0.486 nan 8.230 nan 0.000 0.514 303 V N -3.328 116.574 119.914 -0.020 0.000 2.667 303 V HA 0.179 4.227 4.120 -0.121 0.000 0.308 303 V C 0.667 176.684 176.094 -0.129 0.000 1.048 303 V CA -0.853 61.400 62.300 -0.078 0.000 0.928 303 V CB 1.593 33.336 31.823 -0.134 0.000 1.004 303 V HN 0.925 nan 8.190 nan 0.000 0.444 304 W N 2.334 123.500 121.300 -0.223 0.000 2.302 304 W HA -0.276 4.310 4.660 -0.122 0.000 0.320 304 W C 1.752 178.118 176.519 -0.255 0.000 1.241 304 W CA 2.749 59.957 57.345 -0.227 0.000 1.264 304 W CB -0.119 29.194 29.460 -0.245 0.000 1.154 304 W HN 1.012 nan 8.180 nan 0.000 0.483 305 D N 0.107 120.212 120.400 -0.492 0.000 2.123 305 D HA -0.297 4.271 4.640 -0.121 0.000 0.196 305 D C 2.187 178.139 176.300 -0.580 0.000 0.992 305 D CA 2.200 55.895 54.000 -0.508 0.000 0.833 305 D CB -0.518 40.235 40.800 -0.079 0.000 0.954 305 D HN 0.427 nan 8.370 nan 0.000 0.455 306 E N -0.394 119.316 120.200 -0.817 0.000 2.072 306 E HA -0.173 4.104 4.350 -0.121 0.000 0.191 306 E C 1.976 178.233 176.600 -0.573 0.000 0.985 306 E CA 0.994 56.862 56.400 -0.887 0.000 0.801 306 E CB -0.182 28.815 29.700 -1.172 0.000 0.750 306 E HN 0.301 nan 8.360 nan 0.000 0.452 307 A N 1.262 123.760 122.820 -0.538 0.000 1.873 307 A HA -0.229 4.018 4.320 -0.121 0.000 0.215 307 A C 2.201 179.459 177.584 -0.543 0.000 1.186 307 A CA 1.664 53.438 52.037 -0.440 0.000 0.616 307 A CB -0.637 18.206 19.000 -0.262 0.000 0.823 307 A HN 0.425 nan 8.150 nan 0.000 0.442 308 Q N -0.549 118.721 119.800 -0.883 0.000 2.123 308 Q HA -0.148 4.119 4.340 -0.121 0.000 0.199 308 Q C 2.133 177.863 176.000 -0.451 0.000 0.966 308 Q CA 1.626 56.934 55.803 -0.826 0.000 0.845 308 Q CB -0.115 27.834 28.738 -1.313 0.000 0.907 308 Q HN 0.662 nan 8.270 nan 0.000 0.439 309 K N 0.127 120.281 120.400 -0.409 0.000 2.097 309 K HA -0.133 4.114 4.320 -0.121 0.000 0.205 309 K C 2.051 178.516 176.600 -0.225 0.000 1.050 309 K CA 0.658 56.799 56.287 -0.244 0.000 0.938 309 K CB -0.022 32.376 32.500 -0.170 0.000 0.718 309 K HN 0.176 nan 8.250 nan 0.000 0.442 310 L N 1.396 122.443 121.223 -0.294 0.000 2.275 310 L HA -0.116 4.151 4.340 -0.121 0.000 0.215 310 L C 2.072 178.811 176.870 -0.218 0.000 1.119 310 L CA 1.998 56.663 54.840 -0.292 0.000 0.790 310 L CB -0.736 41.061 42.059 -0.437 0.000 0.919 310 L HN 0.289 nan 8.230 nan 0.000 0.443 311 T N -4.424 110.006 114.554 -0.205 0.000 2.915 311 T HA -0.035 4.243 4.350 -0.121 0.000 0.269 311 T C 1.838 176.479 174.700 -0.098 0.000 1.071 311 T CA 0.899 62.919 62.100 -0.133 0.000 1.132 311 T CB -0.921 67.882 68.868 -0.108 0.000 0.878 311 T HN 0.375 nan 8.240 nan 0.000 0.479 312 G N 1.172 109.908 108.800 -0.107 0.000 2.437 312 G HA2 0.001 3.889 3.960 -0.121 0.000 0.212 312 G HA3 0.001 3.889 3.960 -0.121 0.000 0.212 312 G C 1.907 176.766 174.900 -0.069 0.000 1.174 312 G CA -0.271 44.783 45.100 -0.078 0.000 0.811 312 G HN 0.290 nan 8.290 nan 0.000 0.537 313 R N 0.355 120.805 120.500 -0.084 0.000 2.092 313 R HA 0.016 4.283 4.340 -0.121 0.000 0.231 313 R C -0.102 176.171 176.300 -0.045 0.000 1.119 313 R CA 0.967 57.028 56.100 -0.064 0.000 0.970 313 R CB -0.275 29.978 30.300 -0.078 0.000 0.864 313 R HN 0.342 nan 8.270 nan 0.000 0.440 314 D N -0.553 119.816 120.400 -0.051 0.000 2.411 314 D HA 0.141 4.708 4.640 -0.121 0.000 0.239 314 D C -2.127 174.176 176.300 0.003 0.000 1.307 314 D CA -1.787 52.213 54.000 0.001 0.000 0.930 314 D CB 1.376 42.221 40.800 0.075 0.000 1.395 314 D HN -0.132 nan 8.370 nan 0.000 0.536 315 P HA 0.025 nan 4.420 nan 0.000 0.230 315 P C 0.004 177.310 177.300 0.009 0.000 1.158 315 P CA 0.573 63.663 63.100 -0.016 0.000 0.769 315 P CB 0.532 32.218 31.700 -0.023 0.000 0.807 316 D N -1.312 119.104 120.400 0.026 0.000 2.463 316 D HA 0.063 4.631 4.640 -0.121 0.000 0.224 316 D C 1.119 177.448 176.300 0.049 0.000 1.174 316 D CA -0.444 53.574 54.000 0.030 0.000 0.829 316 D CB -0.418 40.378 40.800 -0.006 0.000 0.993 316 D HN 0.071 nan 8.370 nan 0.000 0.497 317 F N 1.425 121.319 119.950 -0.093 0.000 2.126 317 F HA -0.200 4.254 4.527 -0.122 0.000 0.299 317 F C 2.009 177.778 175.800 -0.052 0.000 1.096 317 F CA 1.850 59.788 58.000 -0.105 0.000 1.255 317 F CB -0.049 38.838 39.000 -0.188 0.000 0.997 317 F HN 0.106 nan 8.300 nan 0.000 0.479 318 H N -1.139 117.812 119.070 -0.199 0.000 2.333 318 H HA -0.069 4.414 4.556 -0.122 0.000 0.302 318 H C 2.441 177.618 175.328 -0.252 0.000 1.075 318 H CA 0.899 56.680 56.048 -0.444 0.000 1.348 318 H CB -0.127 29.218 29.762 -0.696 0.000 1.393 318 H HN 0.144 nan 8.280 nan 0.000 0.509 319 R N 1.224 121.787 120.500 0.105 0.000 2.083 319 R HA -0.164 4.103 4.340 -0.121 0.000 0.237 319 R C 2.456 178.842 176.300 0.144 0.000 1.137 319 R CA 1.546 57.768 56.100 0.203 0.000 0.951 319 R CB -0.064 30.354 30.300 0.196 0.000 0.851 319 R HN 0.201 nan 8.270 nan 0.000 0.434 320 R N 0.348 120.858 120.500 0.017 0.000 2.073 320 R HA -0.184 4.083 4.340 -0.121 0.000 0.234 320 R C 2.226 178.518 176.300 -0.013 0.000 1.134 320 R CA 2.066 58.161 56.100 -0.009 0.000 0.952 320 R CB -0.184 30.074 30.300 -0.070 0.000 0.850 320 R HN 0.343 nan 8.270 nan 0.000 0.433 321 E N 0.604 120.686 120.200 -0.197 0.000 2.150 321 E HA -0.193 4.084 4.350 -0.121 0.000 0.193 321 E C 1.869 178.431 176.600 -0.064 0.000 0.985 321 E CA 1.100 57.369 56.400 -0.217 0.000 0.814 321 E CB -0.560 28.833 29.700 -0.513 0.000 0.752 321 E HN 0.348 nan 8.360 nan 0.000 0.466 322 L N 0.141 121.365 121.223 0.001 0.000 1.994 322 L HA -0.060 4.208 4.340 -0.121 0.000 0.208 322 L C 2.247 179.215 176.870 0.164 0.000 1.071 322 L CA 2.069 56.959 54.840 0.084 0.000 0.745 322 L CB -0.915 41.254 42.059 0.183 0.000 0.892 322 L HN 0.426 nan 8.230 nan 0.000 0.431 323 W N 0.944 122.273 121.300 0.047 0.000 2.338 323 W HA -0.211 4.375 4.660 -0.123 0.000 0.304 323 W C 2.130 178.679 176.519 0.052 0.000 1.212 323 W CA 2.144 59.532 57.345 0.072 0.000 1.264 323 W CB -0.134 29.372 29.460 0.076 0.000 1.142 323 W HN 0.362 nan 8.180 nan 0.000 0.512 324 E N -0.204 120.192 120.200 0.326 0.000 2.285 324 E HA -0.076 4.202 4.350 -0.121 0.000 0.194 324 E C 2.315 178.962 176.600 0.077 0.000 0.997 324 E CA 0.813 57.327 56.400 0.190 0.000 0.845 324 E CB -0.188 29.567 29.700 0.091 0.000 0.782 324 E HN 0.187 nan 8.360 nan 0.000 0.491 325 A N 1.091 123.952 122.820 0.068 0.000 1.897 325 A HA -0.109 4.139 4.320 -0.121 0.000 0.215 325 A C 2.108 179.738 177.584 0.077 0.000 1.181 325 A CA 0.755 52.824 52.037 0.053 0.000 0.620 325 A CB -0.360 18.665 19.000 0.042 0.000 0.821 325 A HN 0.116 nan 8.150 nan 0.000 0.443 326 I N -0.395 120.237 120.570 0.104 0.000 2.252 326 I HA -0.225 3.873 4.170 -0.121 0.000 0.245 326 I C 2.403 178.611 176.117 0.152 0.000 1.102 326 I CA 1.377 62.786 61.300 0.182 0.000 1.385 326 I CB -0.388 37.628 38.000 0.028 0.000 1.064 326 I HN 0.422 nan 8.210 nan 0.000 0.414 327 E N 0.815 121.055 120.200 0.067 0.000 2.204 327 E HA -0.141 4.136 4.350 -0.121 0.000 0.194 327 E C 2.115 178.748 176.600 0.056 0.000 0.989 327 E CA 1.095 57.543 56.400 0.081 0.000 0.824 327 E CB -0.040 29.742 29.700 0.137 0.000 0.756 327 E HN 0.478 nan 8.360 nan 0.000 0.477 328 A N 0.093 122.924 122.820 0.018 0.000 2.208 328 A HA 0.224 4.471 4.320 -0.121 0.000 0.209 328 A C 1.739 179.280 177.584 -0.072 0.000 1.161 328 A CA 0.920 52.944 52.037 -0.021 0.000 0.782 328 A CB -0.062 18.908 19.000 -0.049 0.000 0.816 328 A HN 0.328 nan 8.150 nan 0.000 0.477 329 G N -0.530 108.155 108.800 -0.191 0.000 2.157 329 G HA2 -0.191 3.696 3.960 -0.121 0.000 0.239 329 G HA3 -0.191 3.696 3.960 -0.121 0.000 0.239 329 G C -0.118 174.361 174.900 -0.701 0.000 0.982 329 G CA 0.244 44.956 45.100 -0.646 0.000 0.650 329 G HN 0.421 nan 8.290 nan 0.000 0.527 330 D N 1.253 121.480 120.400 -0.288 0.000 3.085 330 D HA 0.272 4.840 4.640 -0.121 0.000 0.243 330 D C 0.639 176.918 176.300 -0.034 0.000 1.232 330 D CA -0.299 53.618 54.000 -0.138 0.000 0.913 330 D CB -0.558 40.249 40.800 0.011 0.000 1.108 330 D HN 0.229 nan 8.370 nan 0.000 0.468 331 F N 1.300 121.249 119.950 -0.002 0.000 2.580 331 F HA 0.065 4.520 4.527 -0.120 0.000 0.398 331 F C -1.487 174.277 175.800 -0.060 0.000 1.023 331 F CA -2.217 55.771 58.000 -0.020 0.000 1.188 331 F CB -0.810 38.187 39.000 -0.005 0.000 1.005 331 F HN -0.059 nan 8.300 nan 0.000 0.546 332 P HA 0.033 nan 4.420 nan 0.000 0.261 332 P C -0.775 176.453 177.300 -0.120 0.000 1.183 332 P CA 0.376 63.440 63.100 -0.060 0.000 0.761 332 P CB 0.372 32.114 31.700 0.069 0.000 0.785 333 E N 2.520 122.526 120.200 -0.323 0.000 2.248 333 E HA 0.462 4.739 4.350 -0.121 0.000 0.267 333 E C -1.092 175.232 176.600 -0.460 0.000 0.877 333 E CA -0.598 55.666 56.400 -0.227 0.000 0.759 333 E CB 1.529 31.199 29.700 -0.049 0.000 1.182 333 E HN 0.366 nan 8.360 nan 0.000 0.418 334 Y N 0.302 120.670 120.300 0.113 0.000 2.442 334 Y HA 0.264 4.743 4.550 -0.118 0.000 0.344 334 Y C -0.198 175.922 175.900 0.368 0.000 0.976 334 Y CA -0.998 57.240 58.100 0.231 0.000 1.040 334 Y CB 1.962 40.543 38.460 0.202 0.000 1.228 334 Y HN 0.472 nan 8.280 nan 0.000 0.451 335 E N 2.651 123.157 120.200 0.509 0.000 2.174 335 E HA 0.368 4.646 4.350 -0.121 0.000 0.282 335 E C -1.373 175.476 176.600 0.415 0.000 0.992 335 E CA -0.962 55.680 56.400 0.403 0.000 0.803 335 E CB 0.966 30.838 29.700 0.288 0.000 1.090 335 E HN 0.593 nan 8.360 nan 0.000 0.396 336 L N 4.551 125.942 121.223 0.280 0.000 2.360 336 L HA 0.431 4.699 4.340 -0.121 0.000 0.276 336 L C -0.082 176.685 176.870 -0.172 0.000 1.121 336 L CA 0.571 55.308 54.840 -0.173 0.000 0.845 336 L CB 0.824 42.731 42.059 -0.253 0.000 1.143 336 L HN 0.548 nan 8.230 nan 0.000 0.452 337 G N 4.084 112.818 108.800 -0.109 0.000 2.524 337 G HA2 0.615 4.503 3.960 -0.121 0.000 0.310 337 G HA3 0.615 4.503 3.960 -0.121 0.000 0.310 337 G C -1.575 173.443 174.900 0.197 0.000 1.279 337 G CA -0.422 44.657 45.100 -0.034 0.000 0.974 337 G HN 0.314 nan 8.290 nan 0.000 0.484 338 F N -0.086 119.869 119.950 0.008 0.000 2.495 338 F HA 0.489 4.944 4.527 -0.120 0.000 0.327 338 F C 0.402 176.186 175.800 -0.026 0.000 1.103 338 F CA -1.489 56.510 58.000 -0.001 0.000 0.949 338 F CB 2.365 41.349 39.000 -0.028 0.000 1.142 338 F HN 0.278 nan 8.300 nan 0.000 0.457 339 Q N 3.556 123.454 119.800 0.163 0.000 2.340 339 Q HA 0.544 4.812 4.340 -0.121 0.000 0.259 339 Q C -1.115 174.914 176.000 0.048 0.000 0.964 339 Q CA -0.371 55.481 55.803 0.082 0.000 0.900 339 Q CB 1.748 30.541 28.738 0.091 0.000 1.228 339 Q HN 0.525 nan 8.270 nan 0.000 0.449 340 L N 4.379 125.640 121.223 0.062 0.000 2.296 340 L HA 0.565 4.833 4.340 -0.121 0.000 0.286 340 L C -0.725 176.188 176.870 0.072 0.000 1.023 340 L CA -0.717 54.147 54.840 0.041 0.000 0.812 340 L CB 1.014 43.102 42.059 0.048 0.000 1.223 340 L HN 0.493 nan 8.230 nan 0.000 0.421 341 I N 4.592 125.218 120.570 0.094 0.000 2.466 341 I HA 0.415 4.512 4.170 -0.121 0.000 0.289 341 I C -2.335 173.875 176.117 0.154 0.000 1.026 341 I CA -1.811 59.587 61.300 0.163 0.000 1.078 341 I CB 2.015 40.141 38.000 0.210 0.000 1.249 341 I HN 0.305 nan 8.210 nan 0.000 0.429 342 P HA 0.061 nan 4.420 nan 0.000 0.269 342 P C 0.681 178.015 177.300 0.056 0.000 1.209 342 P CA -0.125 62.993 63.100 0.030 0.000 0.776 342 P CB 0.766 32.489 31.700 0.038 0.000 0.876 343 E N 1.524 121.657 120.200 -0.112 0.000 2.130 343 E HA -0.283 3.994 4.350 -0.121 0.000 0.196 343 E C 0.906 177.568 176.600 0.104 0.000 0.998 343 E CA 1.517 57.852 56.400 -0.109 0.000 0.806 343 E CB 0.042 29.625 29.700 -0.195 0.000 0.738 343 E HN 0.458 nan 8.360 nan 0.000 0.459 344 E N 0.462 120.707 120.200 0.075 0.000 2.338 344 E HA -0.125 4.153 4.350 -0.121 0.000 0.197 344 E C 0.723 177.386 176.600 0.104 0.000 1.007 344 E CA 0.992 57.449 56.400 0.094 0.000 0.849 344 E CB 0.121 29.856 29.700 0.058 0.000 0.774 344 E HN 0.242 nan 8.360 nan 0.000 0.506 345 D N 0.183 120.649 120.400 0.110 0.000 2.342 345 D HA -0.021 4.546 4.640 -0.121 0.000 0.221 345 D C 1.170 177.525 176.300 0.092 0.000 1.101 345 D CA 0.073 54.123 54.000 0.083 0.000 0.837 345 D CB 0.061 40.917 40.800 0.094 0.000 0.938 345 D HN 0.269 nan 8.370 nan 0.000 0.508 346 E N -0.086 120.127 120.200 0.021 0.000 2.086 346 E HA -0.208 4.070 4.350 -0.121 0.000 0.200 346 E C 0.308 176.599 176.600 -0.515 0.000 1.012 346 E CA 1.176 57.371 56.400 -0.342 0.000 0.812 346 E CB 0.033 29.327 29.700 -0.677 0.000 0.743 346 E HN 0.222 nan 8.360 nan 0.000 0.453 347 F N -0.418 119.561 119.950 0.049 0.000 2.750 347 F HA 0.299 4.753 4.527 -0.121 0.000 0.297 347 F C 1.080 176.840 175.800 -0.066 0.000 1.138 347 F CA -0.161 57.840 58.000 0.000 0.000 1.346 347 F CB 0.582 39.581 39.000 -0.000 0.000 0.965 347 F HN -0.180 nan 8.300 nan 0.000 0.514 348 K N -0.259 120.104 120.400 -0.062 0.000 2.374 348 K HA 0.178 4.425 4.320 -0.121 0.000 0.196 348 K C -0.152 176.096 176.600 -0.587 0.000 1.023 348 K CA 0.121 56.217 56.287 -0.318 0.000 1.103 348 K CB 0.270 32.496 32.500 -0.456 0.000 0.848 348 K HN 0.089 nan 8.250 nan 0.000 0.528 349 F N 0.613 120.403 119.950 -0.267 0.000 2.411 349 F HA 0.107 4.562 4.527 -0.119 0.000 0.324 349 F C 1.155 176.775 175.800 -0.300 0.000 1.086 349 F CA -1.214 56.533 58.000 -0.421 0.000 1.028 349 F CB 0.606 38.926 39.000 -1.133 0.000 1.284 349 F HN 0.008 nan 8.300 nan 0.000 0.501 350 D N -0.669 119.759 120.400 0.046 0.000 2.319 350 D HA 0.085 4.653 4.640 -0.121 0.000 0.230 350 D C -0.528 175.895 176.300 0.205 0.000 1.094 350 D CA 0.124 54.199 54.000 0.125 0.000 0.856 350 D CB -0.875 40.018 40.800 0.154 0.000 0.915 350 D HN 0.241 nan 8.370 nan 0.000 0.517 351 F N -2.046 117.990 119.950 0.142 0.000 2.620 351 F HA 0.509 4.963 4.527 -0.122 0.000 0.320 351 F C -0.340 175.452 175.800 -0.014 0.000 1.069 351 F CA -1.776 56.230 58.000 0.011 0.000 0.953 351 F CB 0.918 39.884 39.000 -0.057 0.000 1.322 351 F HN -0.341 nan 8.300 nan 0.000 0.479 352 D N 1.608 122.032 120.400 0.040 0.000 2.351 352 D HA 0.190 4.758 4.640 -0.121 0.000 0.251 352 D C 0.977 177.216 176.300 -0.102 0.000 1.137 352 D CA 0.060 54.029 54.000 -0.053 0.000 0.879 352 D CB 1.446 42.235 40.800 -0.018 0.000 1.181 352 D HN 0.734 nan 8.370 nan 0.000 0.448 353 L N 3.532 124.621 121.223 -0.223 0.000 2.275 353 L HA -0.094 4.173 4.340 -0.121 0.000 0.215 353 L C 1.982 178.711 176.870 -0.235 0.000 1.119 353 L CA 0.556 55.239 54.840 -0.261 0.000 0.790 353 L CB -0.038 41.729 42.059 -0.488 0.000 0.919 353 L HN 0.430 nan 8.230 nan 0.000 0.443 354 L N -0.818 120.292 121.223 -0.187 0.000 2.591 354 L HA 0.054 4.321 4.340 -0.121 0.000 0.228 354 L C 0.374 177.166 176.870 -0.129 0.000 1.133 354 L CA -0.063 54.731 54.840 -0.076 0.000 0.880 354 L CB -0.305 41.818 42.059 0.107 0.000 1.033 354 L HN 0.108 nan 8.230 nan 0.000 0.450 355 D N 1.900 121.994 120.400 -0.510 0.000 2.347 355 D HA 0.118 4.686 4.640 -0.121 0.000 0.235 355 D C -1.532 174.537 176.300 -0.385 0.000 1.149 355 D CA -2.305 51.129 54.000 -0.945 0.000 0.850 355 D CB 1.563 41.542 40.800 -1.368 0.000 1.061 355 D HN -0.062 nan 8.370 nan 0.000 0.487 356 P HA -0.042 nan 4.420 nan 0.000 0.242 356 P C 0.680 177.899 177.300 -0.136 0.000 1.197 356 P CA 0.558 63.608 63.100 -0.082 0.000 0.765 356 P CB 0.010 31.772 31.700 0.103 0.000 0.936 357 T N -4.274 110.180 114.554 -0.167 0.000 3.122 357 T HA 0.189 4.467 4.350 -0.121 0.000 0.250 357 T C 0.649 175.276 174.700 -0.122 0.000 1.067 357 T CA -0.232 61.786 62.100 -0.135 0.000 0.966 357 T CB -0.119 68.713 68.868 -0.061 0.000 1.002 357 T HN -0.124 nan 8.240 nan 0.000 0.542 358 K N 2.164 122.398 120.400 -0.277 0.000 2.292 358 K HA 0.571 4.818 4.320 -0.121 0.000 0.257 358 K C -0.485 175.938 176.600 -0.294 0.000 0.940 358 K CA -0.830 55.164 56.287 -0.488 0.000 0.811 358 K CB 2.380 34.472 32.500 -0.680 0.000 1.120 358 K HN 0.272 nan 8.250 nan 0.000 0.428 359 L N -0.318 120.873 121.223 -0.053 0.000 2.387 359 L HA 0.656 4.924 4.340 -0.121 0.000 0.266 359 L C -0.028 176.700 176.870 -0.236 0.000 1.059 359 L CA -0.478 54.302 54.840 -0.100 0.000 0.801 359 L CB 0.348 42.429 42.059 0.037 0.000 1.223 359 L HN 0.460 nan 8.230 nan 0.000 0.456 360 I N 1.744 122.254 120.570 -0.099 0.000 2.330 360 I HA 0.358 4.456 4.170 -0.121 0.000 0.286 360 I C -2.115 174.041 176.117 0.066 0.000 1.025 360 I CA -1.744 59.547 61.300 -0.016 0.000 1.197 360 I CB 1.123 39.132 38.000 0.015 0.000 1.358 360 I HN 0.469 nan 8.210 nan 0.000 0.467 361 P HA 0.021 nan 4.420 nan 0.000 0.265 361 P C 0.279 177.655 177.300 0.126 0.000 1.193 361 P CA 0.127 63.285 63.100 0.097 0.000 0.765 361 P CB 0.600 32.343 31.700 0.072 0.000 0.823 362 E N 1.729 122.003 120.200 0.124 0.000 2.268 362 E HA -0.176 4.102 4.350 -0.121 0.000 0.195 362 E C 1.360 178.014 176.600 0.090 0.000 0.995 362 E CA 0.726 57.185 56.400 0.098 0.000 0.836 362 E CB -0.038 29.714 29.700 0.087 0.000 0.763 362 E HN 0.520 nan 8.360 nan 0.000 0.491 363 E N 0.447 120.701 120.200 0.090 0.000 2.204 363 E HA -0.138 4.139 4.350 -0.121 0.000 0.195 363 E C 2.042 178.704 176.600 0.104 0.000 0.990 363 E CA 0.762 57.211 56.400 0.082 0.000 0.821 363 E CB 0.092 29.834 29.700 0.069 0.000 0.750 363 E HN 0.384 nan 8.360 nan 0.000 0.477 364 L N -0.433 120.878 121.223 0.146 0.000 2.221 364 L HA 0.071 4.338 4.340 -0.121 0.000 0.202 364 L C 0.698 177.686 176.870 0.197 0.000 1.074 364 L CA 0.431 55.389 54.840 0.198 0.000 0.795 364 L CB 0.424 42.683 42.059 0.334 0.000 0.960 364 L HN -0.207 nan 8.230 nan 0.000 0.458 365 V N 0.914 120.933 119.914 0.175 0.000 2.439 365 V HA 0.311 4.359 4.120 -0.121 0.000 0.277 365 V C -2.441 173.706 176.094 0.087 0.000 1.008 365 V CA -1.377 61.010 62.300 0.145 0.000 0.846 365 V CB 1.375 33.290 31.823 0.154 0.000 1.031 365 V HN -0.045 nan 8.190 nan 0.000 0.441 366 P HA 0.126 nan 4.420 nan 0.000 0.269 366 P C -0.254 177.047 177.300 0.001 0.000 1.215 366 P CA 0.025 63.145 63.100 0.034 0.000 0.780 366 P CB 0.690 32.414 31.700 0.040 0.000 0.898 367 V N 3.134 123.015 119.914 -0.054 0.000 2.455 367 V HA 0.108 4.156 4.120 -0.121 0.000 0.273 367 V C 0.589 176.672 176.094 -0.017 0.000 1.045 367 V CA 0.080 62.318 62.300 -0.103 0.000 0.976 367 V CB 0.344 32.023 31.823 -0.240 0.000 0.993 367 V HN 0.504 nan 8.190 nan 0.000 0.475 368 Q N 5.731 125.541 119.800 0.016 0.000 2.296 368 Q HA 0.358 4.626 4.340 -0.121 0.000 0.257 368 Q C -0.146 175.845 176.000 -0.016 0.000 0.942 368 Q CA -0.710 55.106 55.803 0.023 0.000 0.939 368 Q CB 0.759 29.523 28.738 0.043 0.000 1.198 368 Q HN 0.654 nan 8.270 nan 0.000 0.429 369 R N 2.650 123.167 120.500 0.028 0.000 2.489 369 R HA 0.068 4.336 4.340 -0.121 0.000 0.287 369 R C 0.147 176.443 176.300 -0.007 0.000 1.053 369 R CA -0.125 56.016 56.100 0.068 0.000 1.036 369 R CB 0.866 31.298 30.300 0.220 0.000 0.966 369 R HN 0.511 nan 8.270 nan 0.000 0.432 370 V N 1.404 121.171 119.914 -0.245 0.000 3.497 370 V HA 0.286 4.334 4.120 -0.121 0.000 0.272 370 V C 0.465 176.232 176.094 -0.546 0.000 1.474 370 V CA 0.954 63.030 62.300 -0.373 0.000 1.025 370 V CB 1.259 32.623 31.823 -0.765 0.000 0.820 370 V HN 1.022 nan 8.190 nan 0.000 0.437 371 G N -0.137 108.155 108.800 -0.848 0.000 2.495 371 G HA2 0.490 4.378 3.960 -0.121 0.000 0.294 371 G HA3 0.490 4.378 3.960 -0.121 0.000 0.294 371 G C -1.808 172.701 174.900 -0.653 0.000 1.397 371 G CA -0.524 43.961 45.100 -1.025 0.000 0.790 371 G HN 0.035 nan 8.290 nan 0.000 0.486 372 K N -0.505 119.661 120.400 -0.390 0.000 2.427 372 K HA 0.715 4.962 4.320 -0.121 0.000 0.252 372 K C -0.846 175.855 176.600 0.169 0.000 0.931 372 K CA -0.820 55.507 56.287 0.068 0.000 0.793 372 K CB 2.130 34.731 32.500 0.169 0.000 1.211 372 K HN 0.651 nan 8.250 nan 0.000 0.426 373 M N 4.485 124.290 119.600 0.342 0.000 2.364 373 M HA 0.435 4.843 4.480 -0.121 0.000 0.334 373 M C -1.733 174.536 176.300 -0.051 0.000 1.107 373 M CA -0.700 54.704 55.300 0.174 0.000 0.988 373 M CB 1.782 34.464 32.600 0.136 0.000 1.673 373 M HN 0.360 nan 8.290 nan 0.000 0.441 374 V N 5.385 125.091 119.914 -0.345 0.000 2.540 374 V HA 0.476 4.524 4.120 -0.121 0.000 0.302 374 V C -0.989 174.939 176.094 -0.278 0.000 1.035 374 V CA -0.828 61.277 62.300 -0.324 0.000 0.873 374 V CB 1.752 33.249 31.823 -0.543 0.000 0.992 374 V HN 0.684 nan 8.190 nan 0.000 0.428 375 L N 5.725 126.868 121.223 -0.134 0.000 2.262 375 L HA 0.514 4.781 4.340 -0.121 0.000 0.288 375 L C 0.587 177.305 176.870 -0.252 0.000 1.035 375 L CA 0.076 54.837 54.840 -0.132 0.000 0.820 375 L CB 1.054 43.095 42.059 -0.031 0.000 1.204 375 L HN 0.871 nan 8.230 nan 0.000 0.424 376 N N 1.707 120.157 118.700 -0.418 0.000 2.241 376 N HA 0.173 4.840 4.740 -0.121 0.000 0.238 376 N C -0.059 175.186 175.510 -0.441 0.000 1.244 376 N CA -0.301 52.166 53.050 -0.970 0.000 0.880 376 N CB 0.798 38.465 38.487 -1.367 0.000 1.179 376 N HN 0.258 nan 8.380 nan 0.000 0.513 377 R N 0.443 120.827 120.500 -0.192 0.000 2.536 377 R HA 0.327 4.595 4.340 -0.121 0.000 0.269 377 R C -1.214 175.020 176.300 -0.110 0.000 1.113 377 R CA -0.447 55.581 56.100 -0.121 0.000 0.948 377 R CB 1.510 31.767 30.300 -0.071 0.000 1.237 377 R HN 0.101 nan 8.270 nan 0.000 0.441 378 N N 2.329 120.852 118.700 -0.295 0.000 2.445 378 N HA 0.379 5.047 4.740 -0.121 0.000 0.264 378 N C -2.212 173.226 175.510 -0.120 0.000 1.227 378 N CA -1.431 51.312 53.050 -0.511 0.000 0.963 378 N CB 0.409 37.992 38.487 -1.506 0.000 1.188 378 N HN 0.202 nan 8.380 nan 0.000 0.491 379 P HA 0.130 nan 4.420 nan 0.000 0.274 379 P C 0.217 177.672 177.300 0.259 0.000 1.260 379 P CA -0.094 63.172 63.100 0.277 0.000 0.793 379 P CB 0.808 32.713 31.700 0.342 0.000 1.048 380 D N -1.313 119.224 120.400 0.228 0.000 2.259 380 D HA -0.003 4.565 4.640 -0.121 0.000 0.216 380 D C 0.282 176.745 176.300 0.272 0.000 0.961 380 D CA 1.258 55.393 54.000 0.224 0.000 0.878 380 D CB 0.168 41.046 40.800 0.130 0.000 1.009 380 D HN 0.345 nan 8.370 nan 0.000 0.490 381 N N -0.010 118.843 118.700 0.256 0.000 2.461 381 N HA 0.001 4.669 4.740 -0.121 0.000 0.284 381 N C 0.091 175.800 175.510 0.331 0.000 1.049 381 N CA -0.328 52.890 53.050 0.280 0.000 0.889 381 N CB 1.436 40.059 38.487 0.227 0.000 1.365 381 N HN -0.205 nan 8.380 nan 0.000 0.499 382 F N 4.674 124.776 119.950 0.254 0.000 2.065 382 F HA -0.193 4.261 4.527 -0.122 0.000 0.298 382 F C 1.672 177.604 175.800 0.221 0.000 1.112 382 F CA 1.642 59.794 58.000 0.252 0.000 1.212 382 F CB -0.288 38.840 39.000 0.213 0.000 0.975 382 F HN 0.618 nan 8.300 nan 0.000 0.476 383 F N 0.778 120.970 119.950 0.405 0.000 2.095 383 F HA -0.143 4.312 4.527 -0.119 0.000 0.298 383 F C 2.327 178.182 175.800 0.092 0.000 1.104 383 F CA 1.898 60.047 58.000 0.249 0.000 1.232 383 F CB -0.966 38.155 39.000 0.202 0.000 0.987 383 F HN 0.015 nan 8.300 nan 0.000 0.475 384 A N -0.307 122.663 122.820 0.250 0.000 1.933 384 A HA -0.177 4.071 4.320 -0.121 0.000 0.218 384 A C 2.039 179.555 177.584 -0.115 0.000 1.175 384 A CA 2.103 54.184 52.037 0.073 0.000 0.628 384 A CB -0.647 18.443 19.000 0.150 0.000 0.814 384 A HN 0.613 nan 8.150 nan 0.000 0.444 385 E N -1.594 118.546 120.200 -0.099 0.000 2.206 385 E HA 0.012 4.289 4.350 -0.121 0.000 0.195 385 E C 1.908 178.422 176.600 -0.144 0.000 0.935 385 E CA 0.559 56.836 56.400 -0.206 0.000 0.875 385 E CB -0.077 29.529 29.700 -0.157 0.000 0.841 385 E HN 0.735 nan 8.360 nan 0.000 0.477 386 N N 0.811 119.413 118.700 -0.164 0.000 2.124 386 N HA -0.183 4.485 4.740 -0.121 0.000 0.188 386 N C 1.940 177.263 175.510 -0.312 0.000 1.045 386 N CA 0.978 53.862 53.050 -0.276 0.000 0.846 386 N CB 0.187 38.044 38.487 -1.050 0.000 1.020 386 N HN -0.110 nan 8.380 nan 0.000 0.432 387 E N 0.838 120.792 120.200 -0.411 0.000 2.070 387 E HA -0.213 4.065 4.350 -0.121 0.000 0.197 387 E C 1.664 178.067 176.600 -0.328 0.000 1.004 387 E CA 1.650 57.888 56.400 -0.269 0.000 0.805 387 E CB -0.115 29.473 29.700 -0.187 0.000 0.744 387 E HN 0.459 nan 8.360 nan 0.000 0.451 388 Q N -0.306 119.228 119.800 -0.444 0.000 2.472 388 Q HA 0.163 4.431 4.340 -0.121 0.000 0.208 388 Q C 0.035 175.900 176.000 -0.226 0.000 0.958 388 Q CA 0.278 55.876 55.803 -0.341 0.000 0.932 388 Q CB 0.170 28.688 28.738 -0.367 0.000 1.007 388 Q HN 0.249 nan 8.270 nan 0.000 0.508 389 A N 1.121 123.822 122.820 -0.198 0.000 2.511 389 A HA 0.415 4.662 4.320 -0.121 0.000 0.242 389 A C -0.132 177.288 177.584 -0.273 0.000 1.069 389 A CA 0.282 52.171 52.037 -0.247 0.000 0.763 389 A CB 0.217 19.136 19.000 -0.134 0.000 1.001 389 A HN 0.265 nan 8.150 nan 0.000 0.498 390 A N 2.640 125.238 122.820 -0.371 0.000 2.340 390 A HA 0.699 4.946 4.320 -0.121 0.000 0.297 390 A C -0.835 176.593 177.584 -0.259 0.000 1.195 390 A CA -0.427 51.460 52.037 -0.250 0.000 0.769 390 A CB 0.302 19.157 19.000 -0.241 0.000 1.163 390 A HN 0.638 nan 8.150 nan 0.000 0.472 391 F N 0.707 120.609 119.950 -0.080 0.000 2.450 391 F HA 0.630 5.080 4.527 -0.129 0.000 0.332 391 F C 0.633 176.306 175.800 -0.212 0.000 1.093 391 F CA -0.224 57.703 58.000 -0.121 0.000 1.003 391 F CB 1.983 40.885 39.000 -0.163 0.000 1.151 391 F HN 0.521 nan 8.300 nan 0.000 0.474 392 Q N 3.625 123.262 119.800 -0.272 0.000 2.305 392 Q HA 0.256 4.524 4.340 -0.121 0.000 0.271 392 Q C -2.126 173.526 176.000 -0.580 0.000 1.046 392 Q CA -1.920 53.472 55.803 -0.685 0.000 0.798 392 Q CB 3.091 31.219 28.738 -1.017 0.000 1.286 392 Q HN 0.267 nan 8.270 nan 0.000 0.435 393 P HA -0.144 nan 4.420 nan 0.000 0.220 393 P C 0.923 178.236 177.300 0.021 0.000 1.148 393 P CA 1.130 64.080 63.100 -0.250 0.000 0.803 393 P CB 0.240 31.785 31.700 -0.259 0.000 0.782 394 G N -1.269 107.457 108.800 -0.124 0.000 2.679 394 G HA2 -0.138 3.750 3.960 -0.121 0.000 0.212 394 G HA3 -0.138 3.750 3.960 -0.121 0.000 0.212 394 G C 0.353 175.382 174.900 0.215 0.000 1.137 394 G CA -0.007 45.147 45.100 0.090 0.000 0.787 394 G HN 0.436 nan 8.290 nan 0.000 0.534 395 H N 0.635 119.752 119.070 0.079 0.000 3.014 395 H HA 0.379 4.868 4.556 -0.111 0.000 0.266 395 H C 0.423 175.839 175.328 0.146 0.000 1.455 395 H CA -0.762 55.320 56.048 0.057 0.000 1.402 395 H CB 0.102 29.860 29.762 -0.006 0.000 1.626 395 H HN 0.343 nan 8.280 nan 0.000 0.520 396 I N -0.183 120.496 120.570 0.181 0.000 3.133 396 I HA 0.707 4.804 4.170 -0.121 0.000 0.311 396 I C -0.231 175.865 176.117 -0.035 0.000 1.072 396 I CA -1.447 59.882 61.300 0.048 0.000 1.015 396 I CB 2.000 39.912 38.000 -0.147 0.000 1.233 396 I HN 0.137 nan 8.210 nan 0.000 0.473 397 V N -1.758 118.125 119.914 -0.051 0.000 3.102 397 V HA 0.681 4.728 4.120 -0.121 0.000 0.312 397 V C -2.848 173.351 176.094 0.176 0.000 1.135 397 V CA -2.602 59.736 62.300 0.062 0.000 1.022 397 V CB 1.088 32.929 31.823 0.030 0.000 1.056 397 V HN 0.633 nan 8.190 nan 0.000 0.436 398 P HA 0.344 nan 4.420 nan 0.000 0.262 398 P C 0.907 178.205 177.300 -0.004 0.000 1.182 398 P CA 2.059 65.221 63.100 0.103 0.000 0.761 398 P CB 0.594 32.336 31.700 0.070 0.000 0.795 399 G N 1.712 110.461 108.800 -0.085 0.000 2.218 399 G HA2 -0.160 3.727 3.960 -0.121 0.000 0.216 399 G HA3 -0.160 3.727 3.960 -0.121 0.000 0.216 399 G C -0.270 174.547 174.900 -0.140 0.000 0.994 399 G CA -0.414 44.621 45.100 -0.108 0.000 0.637 399 G HN 0.455 nan 8.290 nan 0.000 0.505 400 L N 0.016 121.168 121.223 -0.118 0.000 2.333 400 L HA 0.903 5.170 4.340 -0.121 0.000 0.263 400 L C -0.672 176.145 176.870 -0.088 0.000 1.014 400 L CA -1.069 53.680 54.840 -0.153 0.000 0.820 400 L CB 2.186 44.076 42.059 -0.281 0.000 1.352 400 L HN 0.100 nan 8.230 nan 0.000 0.421 401 D N -0.585 119.758 120.400 -0.094 0.000 2.643 401 D HA 0.481 5.049 4.640 -0.121 0.000 0.283 401 D C -1.182 175.073 176.300 -0.075 0.000 1.242 401 D CA -0.320 53.600 54.000 -0.133 0.000 0.863 401 D CB 1.989 42.778 40.800 -0.019 0.000 1.382 401 D HN 0.058 nan 8.370 nan 0.000 0.444 402 F N -0.014 120.076 119.950 0.234 0.000 2.291 402 F HA 0.537 5.000 4.527 -0.107 0.000 0.305 402 F C 1.490 177.329 175.800 0.064 0.000 1.171 402 F CA -0.270 57.805 58.000 0.124 0.000 1.090 402 F CB 0.514 39.551 39.000 0.061 0.000 1.436 402 F HN 0.193 nan 8.300 nan 0.000 0.509 403 T N -3.145 111.512 114.554 0.171 0.000 2.831 403 T HA 0.341 4.618 4.350 -0.121 0.000 0.287 403 T C 0.051 174.778 174.700 0.046 0.000 1.070 403 T CA -0.924 61.245 62.100 0.115 0.000 1.010 403 T CB 1.152 70.053 68.868 0.055 0.000 1.264 403 T HN 0.316 nan 8.240 nan 0.000 0.532 404 N N 1.159 119.888 118.700 0.049 0.000 2.449 404 N HA 0.056 4.723 4.740 -0.121 0.000 0.191 404 N C 0.054 175.561 175.510 -0.005 0.000 1.161 404 N CA 0.094 53.156 53.050 0.021 0.000 0.863 404 N CB -0.482 38.035 38.487 0.050 0.000 0.980 404 N HN 0.697 nan 8.380 nan 0.000 0.458 405 D N 2.120 122.496 120.400 -0.040 0.000 2.570 405 D HA -0.078 4.489 4.640 -0.121 0.000 0.243 405 D C -1.387 174.881 176.300 -0.055 0.000 1.171 405 D CA -0.988 53.000 54.000 -0.021 0.000 0.879 405 D CB 1.178 41.902 40.800 -0.126 0.000 1.143 405 D HN 0.152 nan 8.370 nan 0.000 0.511 406 P HA -0.107 nan 4.420 nan 0.000 0.226 406 P C 1.484 178.787 177.300 0.005 0.000 1.153 406 P CA 0.233 63.337 63.100 0.007 0.000 0.777 406 P CB 0.371 32.074 31.700 0.005 0.000 0.794 407 L N -0.457 120.777 121.223 0.019 0.000 2.102 407 L HA 0.043 4.310 4.340 -0.121 0.000 0.202 407 L C 2.362 179.135 176.870 -0.161 0.000 1.076 407 L CA 1.117 55.972 54.840 0.024 0.000 0.761 407 L CB -1.449 40.718 42.059 0.180 0.000 0.921 407 L HN -0.185 nan 8.230 nan 0.000 0.444 408 L N -0.459 120.468 121.223 -0.492 0.000 2.012 408 L HA -0.224 4.044 4.340 -0.121 0.000 0.210 408 L C 2.431 179.061 176.870 -0.399 0.000 1.073 408 L CA 1.820 56.204 54.840 -0.760 0.000 0.748 408 L CB -0.938 40.364 42.059 -1.260 0.000 0.891 408 L HN 0.366 nan 8.230 nan 0.000 0.431 409 Q N -0.101 119.522 119.800 -0.295 0.000 2.152 409 Q HA -0.169 4.099 4.340 -0.121 0.000 0.206 409 Q C 2.082 177.993 176.000 -0.147 0.000 0.985 409 Q CA 1.790 57.462 55.803 -0.219 0.000 0.863 409 Q CB -0.726 27.929 28.738 -0.138 0.000 0.904 409 Q HN 0.731 nan 8.270 nan 0.000 0.422 410 G N 0.252 108.996 108.800 -0.093 0.000 2.464 410 G HA2 -0.180 3.707 3.960 -0.121 0.000 0.217 410 G HA3 -0.180 3.707 3.960 -0.121 0.000 0.217 410 G C 1.486 176.390 174.900 0.006 0.000 1.138 410 G CA -0.005 45.086 45.100 -0.015 0.000 0.793 410 G HN 0.240 nan 8.290 nan 0.000 0.539 411 R N -0.128 120.330 120.500 -0.070 0.000 2.152 411 R HA 0.079 4.347 4.340 -0.121 0.000 0.232 411 R C 2.355 178.648 176.300 -0.012 0.000 1.117 411 R CA 0.554 56.651 56.100 -0.004 0.000 0.981 411 R CB -0.336 29.936 30.300 -0.045 0.000 0.870 411 R HN 0.344 nan 8.270 nan 0.000 0.451 412 L N -0.524 120.624 121.223 -0.125 0.000 2.201 412 L HA -0.158 4.110 4.340 -0.121 0.000 0.212 412 L C 2.136 178.996 176.870 -0.017 0.000 1.105 412 L CA 0.874 55.611 54.840 -0.173 0.000 0.775 412 L CB -0.371 41.472 42.059 -0.361 0.000 0.913 412 L HN 0.156 nan 8.230 nan 0.000 0.440 413 F N 0.223 120.126 119.950 -0.078 0.000 2.149 413 F HA -0.150 4.356 4.527 -0.035 0.000 0.294 413 F C 2.800 178.600 175.800 0.001 0.000 1.095 413 F CA 1.479 59.459 58.000 -0.033 0.000 1.276 413 F CB -0.344 38.637 39.000 -0.031 0.000 1.023 413 F HN -0.055 nan 8.300 nan 0.000 0.480 414 S N -0.692 114.923 115.700 -0.142 0.000 2.383 414 S HA -0.205 4.192 4.470 -0.121 0.000 0.227 414 S C 2.074 176.529 174.600 -0.242 0.000 1.026 414 S CA 1.458 59.500 58.200 -0.263 0.000 0.981 414 S CB -0.736 62.398 63.200 -0.110 0.000 0.818 414 S HN 0.472 nan 8.310 nan 0.000 0.472 415 Y N 1.972 122.103 120.300 -0.283 0.000 2.220 415 Y HA 0.029 4.520 4.550 -0.098 0.000 0.291 415 Y C 3.021 178.734 175.900 -0.313 0.000 1.129 415 Y CA 1.322 59.257 58.100 -0.275 0.000 1.161 415 Y CB -1.400 36.899 38.460 -0.268 0.000 0.997 415 Y HN 0.245 nan 8.280 nan 0.000 0.522 416 T N -0.370 114.108 114.554 -0.126 0.000 2.746 416 T HA -0.203 4.075 4.350 -0.121 0.000 0.267 416 T C 1.519 176.114 174.700 -0.175 0.000 1.039 416 T CA 1.706 63.729 62.100 -0.127 0.000 1.142 416 T CB -0.460 68.401 68.868 -0.011 0.000 0.866 416 T HN 0.332 nan 8.240 nan 0.000 0.444 417 D N 0.604 120.827 120.400 -0.297 0.000 2.097 417 D HA -0.116 4.452 4.640 -0.121 0.000 0.195 417 D C 2.310 178.486 176.300 -0.207 0.000 0.989 417 D CA 1.540 55.360 54.000 -0.301 0.000 0.827 417 D CB -0.492 39.939 40.800 -0.616 0.000 0.966 417 D HN 0.237 nan 8.370 nan 0.000 0.456 418 T N -0.978 113.436 114.554 -0.233 0.000 2.833 418 T HA -0.140 4.137 4.350 -0.121 0.000 0.269 418 T C 1.778 176.371 174.700 -0.178 0.000 1.054 418 T CA 1.384 63.375 62.100 -0.182 0.000 1.135 418 T CB -0.178 68.567 68.868 -0.206 0.000 0.869 418 T HN 0.253 nan 8.240 nan 0.000 0.466 419 Q N -0.021 119.624 119.800 -0.259 0.000 2.297 419 Q HA 0.048 4.315 4.340 -0.121 0.000 0.204 419 Q C 2.115 178.010 176.000 -0.174 0.000 0.962 419 Q CA 0.692 56.283 55.803 -0.353 0.000 0.879 419 Q CB -0.025 28.218 28.738 -0.825 0.000 0.947 419 Q HN 0.474 nan 8.270 nan 0.000 0.462 420 I N 0.565 121.106 120.570 -0.049 0.000 2.394 420 I HA -0.195 3.903 4.170 -0.121 0.000 0.251 420 I C 2.252 178.391 176.117 0.037 0.000 1.136 420 I CA 1.505 62.848 61.300 0.071 0.000 1.425 420 I CB -1.010 37.033 38.000 0.071 0.000 1.079 420 I HN 0.216 nan 8.210 nan 0.000 0.425 421 S N 0.153 115.849 115.700 -0.006 0.000 2.475 421 S HA -0.013 4.384 4.470 -0.121 0.000 0.224 421 S C 2.090 176.688 174.600 -0.003 0.000 1.042 421 S CA -0.112 58.092 58.200 0.006 0.000 0.935 421 S CB -0.229 62.973 63.200 0.004 0.000 0.801 421 S HN 0.276 nan 8.310 nan 0.000 0.509 422 R N 1.161 121.641 120.500 -0.034 0.000 2.083 422 R HA 0.104 4.371 4.340 -0.121 0.000 0.237 422 R C 1.153 177.441 176.300 -0.020 0.000 1.137 422 R CA 1.572 57.651 56.100 -0.035 0.000 0.951 422 R CB -0.295 29.961 30.300 -0.073 0.000 0.851 422 R HN 0.461 nan 8.270 nan 0.000 0.434 423 L N -0.744 120.467 121.223 -0.020 0.000 2.910 423 L HA 0.363 4.631 4.340 -0.121 0.000 0.252 423 L C 0.752 177.655 176.870 0.056 0.000 1.195 423 L CA 0.219 55.066 54.840 0.011 0.000 1.003 423 L CB 1.286 43.352 42.059 0.012 0.000 1.328 423 L HN 0.560 nan 8.230 nan 0.000 0.540 424 G N -0.195 108.637 108.800 0.053 0.000 2.159 424 G HA2 -0.093 3.795 3.960 -0.121 0.000 0.256 424 G HA3 -0.093 3.795 3.960 -0.121 0.000 0.256 424 G C 0.423 175.372 174.900 0.081 0.000 0.977 424 G CA -0.025 45.109 45.100 0.056 0.000 0.652 424 G HN 0.810 nan 8.290 nan 0.000 0.531 425 G N -1.704 107.171 108.800 0.125 0.000 2.337 425 G HA2 0.625 4.513 3.960 -0.121 0.000 0.298 425 G HA3 0.625 4.513 3.960 -0.121 0.000 0.298 425 G C -1.965 173.053 174.900 0.197 0.000 1.335 425 G CA 0.347 45.523 45.100 0.127 0.000 0.875 425 G HN 0.424 nan 8.290 nan 0.000 0.579 426 P HA 0.058 nan 4.420 nan 0.000 0.241 426 P C 0.343 177.553 177.300 -0.150 0.000 1.191 426 P CA 0.408 63.542 63.100 0.057 0.000 0.771 426 P CB 0.212 31.941 31.700 0.047 0.000 0.929 427 N N 0.596 119.243 118.700 -0.088 0.000 2.389 427 N HA 0.046 4.714 4.740 -0.121 0.000 0.237 427 N C 0.987 176.310 175.510 -0.312 0.000 1.148 427 N CA -0.112 52.816 53.050 -0.204 0.000 0.854 427 N CB -0.673 37.744 38.487 -0.116 0.000 1.115 427 N HN 0.289 nan 8.380 nan 0.000 0.492 428 F N 0.554 120.514 119.950 0.017 0.000 2.408 428 F HA -0.060 4.403 4.527 -0.106 0.000 0.300 428 F C 2.189 177.948 175.800 -0.069 0.000 1.090 428 F CA 0.588 58.563 58.000 -0.042 0.000 1.427 428 F CB -0.811 38.176 39.000 -0.021 0.000 1.070 428 F HN 0.182 nan 8.300 nan 0.000 0.549 429 H N 0.338 119.130 119.070 -0.462 0.000 2.546 429 H HA 0.086 4.568 4.556 -0.123 0.000 0.277 429 H C 0.887 176.104 175.328 -0.185 0.000 1.004 429 H CA 1.244 57.129 56.048 -0.272 0.000 1.231 429 H CB -0.714 28.773 29.762 -0.458 0.000 1.382 429 H HN 0.511 nan 8.280 nan 0.000 0.580 430 E N 0.854 120.645 120.200 -0.682 0.000 2.478 430 E HA 0.172 4.450 4.350 -0.121 0.000 0.194 430 E C 0.252 176.743 176.600 -0.181 0.000 1.045 430 E CA -0.253 55.895 56.400 -0.420 0.000 0.868 430 E CB 0.464 29.938 29.700 -0.375 0.000 0.885 430 E HN 0.432 nan 8.360 nan 0.000 0.505 431 I N 2.627 123.117 120.570 -0.133 0.000 2.533 431 I HA -0.029 4.069 4.170 -0.121 0.000 0.284 431 I C -1.565 174.500 176.117 -0.088 0.000 1.109 431 I CA -1.629 59.620 61.300 -0.084 0.000 1.412 431 I CB 0.669 38.629 38.000 -0.066 0.000 1.396 431 I HN -0.178 nan 8.210 nan 0.000 0.543 432 P HA -0.274 nan 4.420 nan 0.000 0.219 432 P C 1.712 178.940 177.300 -0.120 0.000 1.158 432 P CA 1.384 64.430 63.100 -0.089 0.000 0.895 432 P CB 0.166 31.820 31.700 -0.076 0.000 0.792 433 I N -0.732 119.739 120.570 -0.164 0.000 2.335 433 I HA -0.198 3.900 4.170 -0.121 0.000 0.251 433 I C 1.379 177.421 176.117 -0.125 0.000 1.129 433 I CA 1.700 62.852 61.300 -0.246 0.000 1.402 433 I CB -0.825 36.916 38.000 -0.432 0.000 1.069 433 I HN -0.102 nan 8.210 nan 0.000 0.424 434 N N 0.544 119.191 118.700 -0.088 0.000 2.463 434 N HA 0.027 4.694 4.740 -0.121 0.000 0.181 434 N C 0.355 175.895 175.510 0.050 0.000 1.078 434 N CA 0.215 53.250 53.050 -0.025 0.000 0.902 434 N CB -0.144 38.344 38.487 0.002 0.000 0.970 434 N HN 0.360 nan 8.380 nan 0.000 0.451 435 R N 1.624 122.143 120.500 0.031 0.000 2.489 435 R HA 0.135 4.403 4.340 -0.121 0.000 0.287 435 R C -2.178 174.197 176.300 0.126 0.000 1.053 435 R CA -1.188 54.934 56.100 0.037 0.000 1.036 435 R CB -0.043 30.253 30.300 -0.006 0.000 0.966 435 R HN 0.041 nan 8.270 nan 0.000 0.432 436 P HA -0.043 nan 4.420 nan 0.000 0.269 436 P C 0.545 177.920 177.300 0.125 0.000 1.217 436 P CA 0.138 63.328 63.100 0.151 0.000 0.783 436 P CB 0.621 32.368 31.700 0.078 0.000 0.898 437 T N -3.091 111.543 114.554 0.133 0.000 3.040 437 T HA 0.099 4.377 4.350 -0.121 0.000 0.250 437 T C 0.790 175.533 174.700 0.072 0.000 1.058 437 T CA -0.056 62.077 62.100 0.055 0.000 0.988 437 T CB -1.019 67.854 68.868 0.009 0.000 0.993 437 T HN 0.562 nan 8.240 nan 0.000 0.519 438 C N 1.268 120.628 119.300 0.100 0.000 2.347 438 C HA 0.799 5.187 4.460 -0.121 0.000 0.366 438 C C -2.347 172.706 174.990 0.106 0.000 1.241 438 C CA -2.517 56.559 59.018 0.096 0.000 2.360 438 C CB 0.139 27.941 27.740 0.104 0.000 2.290 438 C HN 0.180 nan 8.230 nan 0.000 0.587 439 P HA 0.298 nan 4.420 nan 0.000 0.268 439 P C -1.171 176.215 177.300 0.144 0.000 1.208 439 P CA 0.459 63.634 63.100 0.125 0.000 0.777 439 P CB -0.016 31.798 31.700 0.191 0.000 0.875 440 Y N -0.181 120.033 120.300 -0.144 0.000 2.399 440 Y HA 0.635 5.115 4.550 -0.116 0.000 0.327 440 Y C -1.670 173.951 175.900 -0.466 0.000 1.111 440 Y CA -0.946 57.053 58.100 -0.170 0.000 1.047 440 Y CB 0.892 39.269 38.460 -0.139 0.000 1.259 440 Y HN 0.434 nan 8.280 nan 0.000 0.434 441 H N 3.629 122.600 119.070 -0.165 0.000 2.954 441 H HA 0.642 5.126 4.556 -0.120 0.000 0.361 441 H C -1.079 174.151 175.328 -0.163 0.000 1.122 441 H CA -0.758 55.122 56.048 -0.281 0.000 1.217 441 H CB 1.801 31.421 29.762 -0.238 0.000 1.776 441 H HN 0.897 nan 8.280 nan 0.000 0.533 442 N N 0.165 118.772 118.700 -0.154 0.000 3.441 442 N HA 0.175 4.842 4.740 -0.121 0.000 0.313 442 N C -1.299 173.998 175.510 -0.355 0.000 1.526 442 N CA -0.862 52.060 53.050 -0.213 0.000 0.871 442 N CB 0.630 39.140 38.487 0.037 0.000 1.779 442 N HN 0.278 nan 8.380 nan 0.000 0.529 443 F N -0.193 119.801 119.950 0.073 0.000 2.647 443 F HA 0.376 4.829 4.527 -0.123 0.000 0.300 443 F C 0.360 176.203 175.800 0.071 0.000 1.106 443 F CA -0.287 57.750 58.000 0.062 0.000 1.313 443 F CB 0.049 39.079 39.000 0.050 0.000 1.007 443 F HN 0.174 nan 8.300 nan 0.000 0.536 444 Q N 1.540 121.448 119.800 0.179 0.000 2.352 444 Q HA 0.426 4.693 4.340 -0.121 0.000 0.260 444 Q C 0.101 176.176 176.000 0.124 0.000 0.976 444 Q CA -0.041 55.844 55.803 0.137 0.000 0.881 444 Q CB 1.137 29.930 28.738 0.092 0.000 1.235 444 Q HN 0.094 nan 8.270 nan 0.000 0.419 445 R N 1.505 122.071 120.500 0.109 0.000 2.817 445 R HA 0.351 4.618 4.340 -0.121 0.000 0.268 445 R C -0.590 175.755 176.300 0.075 0.000 1.027 445 R CA -0.682 55.474 56.100 0.093 0.000 0.928 445 R CB 0.970 31.329 30.300 0.098 0.000 1.228 445 R HN 0.707 nan 8.270 nan 0.000 0.469 446 D N -0.150 120.286 120.400 0.061 0.000 3.395 446 D HA -0.187 4.381 4.640 -0.121 0.000 0.238 446 D C 0.406 176.735 176.300 0.048 0.000 1.741 446 D CA 2.124 56.153 54.000 0.048 0.000 1.135 446 D CB -0.991 39.837 40.800 0.047 0.000 0.767 446 D HN 0.897 nan 8.370 nan 0.000 0.934 447 G N -1.516 107.312 108.800 0.046 0.000 2.705 447 G HA2 0.181 4.068 3.960 -0.121 0.000 0.686 447 G HA3 0.181 4.068 3.960 -0.121 0.000 0.686 447 G C -0.228 174.703 174.900 0.051 0.000 1.285 447 G CA 0.036 45.166 45.100 0.049 0.000 0.800 447 G HN 0.794 nan 8.290 nan 0.000 0.611 448 M N 1.278 120.916 119.600 0.063 0.000 2.248 448 M HA 0.390 4.798 4.480 -0.121 0.000 0.343 448 M C 1.114 177.493 176.300 0.130 0.000 1.243 448 M CA 1.437 56.787 55.300 0.082 0.000 1.025 448 M CB -0.692 31.960 32.600 0.086 0.000 1.759 448 M HN 1.564 nan 8.290 nan 0.000 0.452 449 H N 0.959 120.032 119.070 0.005 0.000 2.692 449 H HA -0.187 4.297 4.556 -0.120 0.000 0.316 449 H C -0.675 174.641 175.328 -0.020 0.000 1.176 449 H CA 0.781 56.827 56.048 -0.004 0.000 1.142 449 H CB -0.664 29.098 29.762 0.001 0.000 1.475 449 H HN 0.630 nan 8.280 nan 0.000 0.423 450 R N 1.350 121.858 120.500 0.013 0.000 2.351 450 R HA 0.063 4.331 4.340 -0.121 0.000 0.318 450 R C 0.912 177.189 176.300 -0.037 0.000 1.055 450 R CA 0.029 56.127 56.100 -0.002 0.000 0.968 450 R CB 0.241 30.544 30.300 0.005 0.000 0.974 450 R HN 0.375 nan 8.270 nan 0.000 0.439 451 M N 2.578 122.167 119.600 -0.018 0.000 2.412 451 M HA 0.215 4.622 4.480 -0.121 0.000 0.263 451 M C 0.945 177.232 176.300 -0.022 0.000 1.122 451 M CA 1.035 56.321 55.300 -0.024 0.000 1.179 451 M CB -0.879 31.718 32.600 -0.005 0.000 1.335 451 M HN 0.700 nan 8.290 nan 0.000 0.465 452 G N 1.990 110.786 108.800 -0.007 0.000 2.313 452 G HA2 0.367 4.255 3.960 -0.121 0.000 0.250 452 G HA3 0.367 4.255 3.960 -0.121 0.000 0.250 452 G C -0.334 174.558 174.900 -0.013 0.000 1.281 452 G CA -0.346 44.749 45.100 -0.008 0.000 0.917 452 G HN 0.327 nan 8.290 nan 0.000 0.501 453 I N 2.934 123.489 120.570 -0.024 0.000 2.307 453 I HA 0.102 4.200 4.170 -0.121 0.000 0.287 453 I C -0.236 175.869 176.117 -0.021 0.000 1.054 453 I CA -0.556 60.733 61.300 -0.018 0.000 1.218 453 I CB 0.961 38.949 38.000 -0.019 0.000 1.398 453 I HN 0.362 nan 8.210 nan 0.000 0.475 454 D N 4.904 125.298 120.400 -0.010 0.000 2.351 454 D HA 0.067 4.634 4.640 -0.121 0.000 0.251 454 D C 1.168 177.468 176.300 0.000 0.000 1.137 454 D CA 0.259 54.253 54.000 -0.011 0.000 0.879 454 D CB 1.813 42.615 40.800 0.002 0.000 1.181 454 D HN 0.573 nan 8.370 nan 0.000 0.448 455 T N -0.937 113.614 114.554 -0.005 0.000 3.040 455 T HA -0.059 4.219 4.350 -0.121 0.000 0.250 455 T C 0.879 175.587 174.700 0.014 0.000 1.058 455 T CA -0.538 61.563 62.100 0.002 0.000 0.988 455 T CB 0.174 69.037 68.868 -0.008 0.000 0.993 455 T HN 0.127 nan 8.240 nan 0.000 0.519 456 N N 3.511 122.221 118.700 0.017 0.000 2.365 456 N HA 0.066 4.734 4.740 -0.121 0.000 0.265 456 N C -1.669 173.879 175.510 0.064 0.000 1.288 456 N CA -1.445 51.628 53.050 0.038 0.000 0.869 456 N CB 1.358 39.866 38.487 0.035 0.000 1.071 456 N HN 0.075 nan 8.380 nan 0.000 0.480 457 P HA -0.005 nan 4.420 nan 0.000 0.220 457 P C -0.531 176.826 177.300 0.095 0.000 1.148 457 P CA 0.917 64.061 63.100 0.073 0.000 0.803 457 P CB 0.225 31.963 31.700 0.064 0.000 0.782 458 A N 0.561 123.426 122.820 0.074 0.000 2.312 458 A HA 0.422 4.669 4.320 -0.121 0.000 0.328 458 A C 0.504 178.182 177.584 0.156 0.000 1.158 458 A CA -0.635 51.394 52.037 -0.013 0.000 0.821 458 A CB 0.095 18.895 19.000 -0.334 0.000 1.170 458 A HN 0.267 nan 8.150 nan 0.000 0.490 459 N N -0.270 118.557 118.700 0.212 0.000 2.291 459 N HA 0.321 4.989 4.740 -0.121 0.000 0.244 459 N C -0.822 174.852 175.510 0.272 0.000 1.216 459 N CA -0.333 52.924 53.050 0.345 0.000 0.879 459 N CB 0.354 39.000 38.487 0.266 0.000 1.167 459 N HN 0.663 nan 8.380 nan 0.000 0.515 460 Y N -0.685 119.502 120.300 -0.188 0.000 2.615 460 Y HA 0.712 5.189 4.550 -0.122 0.000 0.341 460 Y C -1.330 173.959 175.900 -1.019 0.000 1.089 460 Y CA -1.470 56.337 58.100 -0.488 0.000 1.049 460 Y CB 0.982 39.310 38.460 -0.219 0.000 1.296 460 Y HN 0.077 nan 8.280 nan 0.000 0.470 461 E N 0.892 120.619 120.200 -0.788 0.000 2.356 461 E HA 0.663 4.941 4.350 -0.121 0.000 0.275 461 E C -3.166 173.330 176.600 -0.173 0.000 0.904 461 E CA -1.962 54.085 56.400 -0.589 0.000 0.757 461 E CB 1.761 31.052 29.700 -0.681 0.000 1.232 461 E HN 0.591 nan 8.360 nan 0.000 0.442 462 P HA 0.314 nan 4.420 nan 0.000 0.278 462 P C -1.285 175.975 177.300 -0.066 0.000 1.238 462 P CA -0.489 62.545 63.100 -0.110 0.000 0.794 462 P CB 0.603 32.269 31.700 -0.056 0.000 0.955 463 N N -1.507 117.088 118.700 -0.176 0.000 2.284 463 N HA 0.348 5.015 4.740 -0.121 0.000 0.289 463 N C 0.297 175.768 175.510 -0.065 0.000 1.179 463 N CA -0.747 52.215 53.050 -0.148 0.000 0.774 463 N CB 1.460 39.579 38.487 -0.614 0.000 1.548 463 N HN 0.198 nan 8.380 nan 0.000 0.473 464 S N 0.640 116.347 115.700 0.012 0.000 2.497 464 S HA -0.012 4.386 4.470 -0.121 0.000 0.221 464 S C 1.606 176.221 174.600 0.025 0.000 1.037 464 S CA 0.088 58.295 58.200 0.012 0.000 0.920 464 S CB -0.819 62.398 63.200 0.028 0.000 0.800 464 S HN 0.716 nan 8.310 nan 0.000 0.505 465 I N -0.356 120.237 120.570 0.039 0.000 2.756 465 I HA 0.162 4.259 4.170 -0.121 0.000 0.262 465 I C 1.313 177.461 176.117 0.052 0.000 1.225 465 I CA 1.388 62.720 61.300 0.053 0.000 1.472 465 I CB -0.392 37.658 38.000 0.084 0.000 1.094 465 I HN 0.193 nan 8.210 nan 0.000 0.454 466 N N 1.005 119.733 118.700 0.047 0.000 2.291 466 N HA 0.039 4.707 4.740 -0.121 0.000 0.244 466 N C -0.090 175.528 175.510 0.180 0.000 1.216 466 N CA -0.026 53.092 53.050 0.113 0.000 0.879 466 N CB 0.028 38.594 38.487 0.133 0.000 1.167 466 N HN 0.223 nan 8.380 nan 0.000 0.515 467 D N 0.676 121.132 120.400 0.094 0.000 2.772 467 D HA -0.251 4.317 4.640 -0.121 0.000 0.233 467 D C -0.079 176.133 176.300 -0.148 0.000 1.143 467 D CA 1.041 55.066 54.000 0.042 0.000 0.700 467 D CB -1.420 39.486 40.800 0.178 0.000 1.076 467 D HN 0.473 nan 8.370 nan 0.000 0.430 468 N N -1.654 116.975 118.700 -0.118 0.000 2.753 468 N HA -0.248 4.419 4.740 -0.121 0.000 0.251 468 N C -0.728 174.697 175.510 -0.142 0.000 1.097 468 N CA 1.424 54.375 53.050 -0.165 0.000 0.786 468 N CB -1.293 37.053 38.487 -0.236 0.000 1.137 468 N HN 0.546 nan 8.380 nan 0.000 0.566 469 W N 1.052 122.405 121.300 0.089 0.000 2.303 469 W HA 0.415 5.002 4.660 -0.122 0.000 0.334 469 W C -1.560 174.987 176.519 0.045 0.000 1.197 469 W CA -1.552 55.821 57.345 0.047 0.000 1.262 469 W CB 0.404 29.843 29.460 -0.034 0.000 1.153 469 W HN -0.026 nan 8.180 nan 0.000 0.596 470 P HA 0.140 nan 4.420 nan 0.000 0.271 470 P C -0.753 176.675 177.300 0.213 0.000 1.218 470 P CA 0.048 63.274 63.100 0.210 0.000 0.780 470 P CB 0.925 32.602 31.700 -0.038 0.000 0.901 471 R N 1.067 121.684 120.500 0.194 0.000 2.732 471 R HA 0.349 4.617 4.340 -0.121 0.000 0.278 471 R C 0.350 176.683 176.300 0.055 0.000 0.976 471 R CA -0.889 55.199 56.100 -0.021 0.000 0.963 471 R CB 1.197 31.267 30.300 -0.383 0.000 1.150 471 R HN 0.479 nan 8.270 nan 0.000 0.478 472 E N 0.715 120.935 120.200 0.034 0.000 2.438 472 E HA 0.019 4.296 4.350 -0.121 0.000 0.261 472 E C -0.519 176.105 176.600 0.041 0.000 1.103 472 E CA 0.705 57.136 56.400 0.052 0.000 0.959 472 E CB 0.562 30.284 29.700 0.037 0.000 0.958 472 E HN 0.375 nan 8.360 nan 0.000 0.447 473 T N 2.872 117.461 114.554 0.057 0.000 2.928 473 T HA 0.327 4.604 4.350 -0.121 0.000 0.296 473 T C -2.516 172.209 174.700 0.043 0.000 1.000 473 T CA -1.542 60.590 62.100 0.054 0.000 0.989 473 T CB 1.469 70.381 68.868 0.073 0.000 1.005 473 T HN 0.232 nan 8.240 nan 0.000 0.442 474 P HA 0.227 nan 4.420 nan 0.000 0.269 474 P C -2.414 174.894 177.300 0.013 0.000 1.209 474 P CA -1.237 61.873 63.100 0.016 0.000 0.776 474 P CB -0.400 31.305 31.700 0.007 0.000 0.876 475 P HA 0.210 nan 4.420 nan 0.000 0.268 475 P C 0.076 177.364 177.300 -0.020 0.000 1.208 475 P CA 0.509 63.594 63.100 -0.024 0.000 0.777 475 P CB 0.613 32.278 31.700 -0.058 0.000 0.875 476 G N 1.292 110.079 108.800 -0.023 0.000 2.489 476 G HA2 0.381 4.268 3.960 -0.121 0.000 0.305 476 G HA3 0.381 4.268 3.960 -0.121 0.000 0.305 476 G C -2.507 172.382 174.900 -0.018 0.000 1.311 476 G CA -0.685 44.405 45.100 -0.015 0.000 0.813 476 G HN 0.180 nan 8.290 nan 0.000 0.480 477 P HA 0.074 nan 4.420 nan 0.000 0.218 477 P C 0.184 177.481 177.300 -0.005 0.000 1.149 477 P CA 1.266 64.359 63.100 -0.013 0.000 0.817 477 P CB 0.017 31.712 31.700 -0.009 0.000 0.785 478 K N -3.273 117.131 120.400 0.007 0.000 2.562 478 K HA 0.525 4.773 4.320 -0.121 0.000 0.267 478 K C -0.303 176.314 176.600 0.030 0.000 0.938 478 K CA -0.932 55.366 56.287 0.019 0.000 0.840 478 K CB 1.261 33.774 32.500 0.022 0.000 1.390 478 K HN -0.421 nan 8.250 nan 0.000 0.428 479 R N -0.651 119.874 120.500 0.043 0.000 3.770 479 R HA -0.120 4.147 4.340 -0.121 0.000 0.305 479 R C -0.036 176.294 176.300 0.051 0.000 1.184 479 R CA 1.156 57.288 56.100 0.052 0.000 0.823 479 R CB -2.405 27.925 30.300 0.050 0.000 1.285 479 R HN 1.039 nan 8.270 nan 0.000 0.499 480 G N -1.320 107.505 108.800 0.042 0.000 2.521 480 G HA2 0.655 4.543 3.960 -0.121 0.000 0.323 480 G HA3 0.655 4.543 3.960 -0.121 0.000 0.323 480 G C 0.263 175.196 174.900 0.055 0.000 1.211 480 G CA 0.006 45.129 45.100 0.038 0.000 0.979 480 G HN 0.270 nan 8.290 nan 0.000 0.490 481 G N -1.313 107.522 108.800 0.058 0.000 2.539 481 G HA2 0.411 4.299 3.960 -0.121 0.000 0.258 481 G HA3 0.411 4.299 3.960 -0.121 0.000 0.258 481 G C -0.732 174.221 174.900 0.087 0.000 1.202 481 G CA -0.509 44.647 45.100 0.092 0.000 0.851 481 G HN 0.445 nan 8.290 nan 0.000 0.556 482 F N 0.376 120.342 119.950 0.027 0.000 2.467 482 F HA 0.404 4.862 4.527 -0.115 0.000 0.362 482 F C 0.484 176.299 175.800 0.025 0.000 1.090 482 F CA -0.304 57.708 58.000 0.019 0.000 1.202 482 F CB 0.955 39.967 39.000 0.020 0.000 1.113 482 F HN 0.422 nan 8.300 nan 0.000 0.541 483 E N 4.176 124.057 120.200 -0.532 0.000 2.241 483 E HA 0.297 4.575 4.350 -0.121 0.000 0.263 483 E C -1.081 175.242 176.600 -0.462 0.000 0.882 483 E CA -0.707 55.525 56.400 -0.281 0.000 0.769 483 E CB 1.420 31.020 29.700 -0.166 0.000 1.185 483 E HN 0.639 nan 8.360 nan 0.000 0.415 484 S N 2.537 118.185 115.700 -0.086 0.000 2.572 484 S HA -0.022 4.376 4.470 -0.121 0.000 0.279 484 S C -0.465 174.132 174.600 -0.005 0.000 1.341 484 S CA -0.316 57.902 58.200 0.030 0.000 1.043 484 S CB 0.136 63.472 63.200 0.227 0.000 0.887 484 S HN 0.475 nan 8.310 nan 0.000 0.516 485 Y N 2.537 122.779 120.300 -0.096 0.000 2.721 485 Y HA -0.026 4.451 4.550 -0.122 0.000 0.329 485 Y C 0.894 176.776 175.900 -0.029 0.000 1.211 485 Y CA -0.047 58.004 58.100 -0.082 0.000 1.512 485 Y CB 0.039 38.455 38.460 -0.074 0.000 1.249 485 Y HN 0.586 nan 8.280 nan 0.000 0.549 486 Q N 5.083 124.532 119.800 -0.584 0.000 3.141 486 Q HA -0.008 4.260 4.340 -0.121 0.000 0.304 486 Q C -0.109 175.590 176.000 -0.501 0.000 1.305 486 Q CA 0.035 55.583 55.803 -0.425 0.000 0.929 486 Q CB -0.315 28.252 28.738 -0.286 0.000 1.701 486 Q HN 0.660 nan 8.270 nan 0.000 0.483 487 E N 1.427 121.384 120.200 -0.405 0.000 2.452 487 E HA -0.047 4.231 4.350 -0.121 0.000 0.261 487 E C -0.196 176.363 176.600 -0.069 0.000 0.987 487 E CA -0.279 56.027 56.400 -0.157 0.000 0.926 487 E CB 0.600 30.343 29.700 0.072 0.000 0.934 487 E HN 0.118 nan 8.360 nan 0.000 0.452 488 R N 2.920 123.405 120.500 -0.026 0.000 2.389 488 R HA 0.205 4.472 4.340 -0.121 0.000 0.295 488 R C -1.447 174.870 176.300 0.029 0.000 1.075 488 R CA -0.141 55.958 56.100 -0.002 0.000 1.005 488 R CB 0.777 31.085 30.300 0.013 0.000 0.987 488 R HN 0.265 nan 8.270 nan 0.000 0.452 489 V N 5.147 125.071 119.914 0.017 0.000 2.487 489 V HA 0.445 4.492 4.120 -0.121 0.000 0.298 489 V C -0.552 175.550 176.094 0.014 0.000 1.028 489 V CA -0.588 61.726 62.300 0.023 0.000 0.860 489 V CB 1.679 33.514 31.823 0.020 0.000 0.991 489 V HN 0.823 nan 8.190 nan 0.000 0.427 490 E N 2.804 123.014 120.200 0.016 0.000 2.304 490 E HA 0.736 5.013 4.350 -0.121 0.000 0.277 490 E C -0.147 176.454 176.600 0.002 0.000 0.898 490 E CA -0.535 55.869 56.400 0.006 0.000 0.764 490 E CB 2.684 32.387 29.700 0.006 0.000 1.216 490 E HN 0.994 nan 8.360 nan 0.000 0.419 491 G N 2.164 110.961 108.800 -0.006 0.000 2.359 491 G HA2 0.020 3.908 3.960 -0.121 0.000 0.293 491 G HA3 0.020 3.908 3.960 -0.121 0.000 0.293 491 G C -1.539 173.352 174.900 -0.015 0.000 1.300 491 G CA -1.078 44.014 45.100 -0.012 0.000 0.888 491 G HN 0.446 nan 8.290 nan 0.000 0.541 492 N N -0.114 118.574 118.700 -0.020 0.000 2.489 492 N HA 0.455 5.122 4.740 -0.121 0.000 0.284 492 N C -0.227 175.267 175.510 -0.026 0.000 1.158 492 N CA -0.750 52.287 53.050 -0.022 0.000 0.965 492 N CB 1.070 39.544 38.487 -0.022 0.000 1.195 492 N HN 0.419 nan 8.380 nan 0.000 0.506 493 K N 1.392 121.776 120.400 -0.026 0.000 2.351 493 K HA 0.139 4.386 4.320 -0.121 0.000 0.287 493 K C -0.772 175.804 176.600 -0.039 0.000 1.068 493 K CA -0.034 56.233 56.287 -0.032 0.000 0.998 493 K CB -0.209 32.273 32.500 -0.030 0.000 0.968 493 K HN 0.312 nan 8.250 nan 0.000 0.464 494 V N 0.383 120.269 119.914 -0.047 0.000 2.971 494 V HA 0.472 4.519 4.120 -0.121 0.000 0.309 494 V C -0.705 175.348 176.094 -0.069 0.000 1.130 494 V CA -1.358 60.910 62.300 -0.053 0.000 0.964 494 V CB 1.997 33.790 31.823 -0.051 0.000 1.029 494 V HN 0.618 nan 8.190 nan 0.000 0.427 495 R N 2.520 122.975 120.500 -0.075 0.000 2.280 495 R HA 0.655 4.922 4.340 -0.121 0.000 0.326 495 R C -0.475 175.775 176.300 -0.085 0.000 1.080 495 R CA -0.148 55.894 56.100 -0.096 0.000 1.002 495 R CB 0.853 31.079 30.300 -0.122 0.000 1.136 495 R HN 0.932 nan 8.270 nan 0.000 0.509 496 E N 2.299 122.445 120.200 -0.089 0.000 2.347 496 E HA 0.202 4.480 4.350 -0.121 0.000 0.285 496 E C -1.330 175.203 176.600 -0.113 0.000 0.925 496 E CA -0.975 55.376 56.400 -0.083 0.000 0.779 496 E CB 1.587 31.245 29.700 -0.070 0.000 1.233 496 E HN 0.176 nan 8.360 nan 0.000 0.414 497 R N 1.619 122.059 120.500 -0.100 0.000 2.438 497 R HA 0.226 4.493 4.340 -0.121 0.000 0.287 497 R C -0.548 175.638 176.300 -0.190 0.000 1.077 497 R CA 0.078 56.084 56.100 -0.156 0.000 1.034 497 R CB 1.242 31.505 30.300 -0.061 0.000 0.993 497 R HN 0.360 nan 8.270 nan 0.000 0.459 498 S N 5.035 120.509 115.700 -0.377 0.000 2.516 498 S HA 0.147 4.545 4.470 -0.121 0.000 0.282 498 S C -1.561 172.994 174.600 -0.075 0.000 1.286 498 S CA -1.328 56.721 58.200 -0.253 0.000 1.066 498 S CB 0.703 63.672 63.200 -0.385 0.000 0.884 498 S HN 0.541 nan 8.310 nan 0.000 0.491 499 P HA -0.128 nan 4.420 nan 0.000 0.217 499 P C 1.569 178.911 177.300 0.069 0.000 1.148 499 P CA 1.313 64.427 63.100 0.022 0.000 0.828 499 P CB -0.181 31.524 31.700 0.008 0.000 0.783 500 S N -1.924 113.851 115.700 0.125 0.000 2.440 500 S HA -0.150 4.247 4.470 -0.121 0.000 0.238 500 S C 1.467 176.226 174.600 0.264 0.000 1.010 500 S CA 1.045 59.357 58.200 0.187 0.000 0.972 500 S CB -1.415 61.935 63.200 0.249 0.000 0.774 500 S HN -0.007 nan 8.310 nan 0.000 0.501 501 F N 2.110 122.045 119.950 -0.025 0.000 2.776 501 F HA 0.396 4.849 4.527 -0.124 0.000 0.300 501 F C 1.901 177.624 175.800 -0.127 0.000 1.116 501 F CA -0.906 57.073 58.000 -0.035 0.000 1.375 501 F CB -0.570 38.442 39.000 0.020 0.000 1.109 501 F HN 0.327 nan 8.300 nan 0.000 0.585 502 G N 0.827 109.621 108.800 -0.011 0.000 3.401 502 G HA2 0.131 4.019 3.960 -0.121 0.000 0.251 502 G HA3 0.131 4.019 3.960 -0.121 0.000 0.251 502 G C -0.105 174.362 174.900 -0.722 0.000 0.960 502 G CA 0.108 45.009 45.100 -0.332 0.000 1.900 502 G HN 0.047 nan 8.290 nan 0.000 0.645 503 E N 0.427 120.099 120.200 -0.880 0.000 2.274 503 E HA 0.310 4.587 4.350 -0.121 0.000 0.269 503 E C -0.955 175.211 176.600 -0.723 0.000 0.891 503 E CA -0.715 55.267 56.400 -0.696 0.000 0.784 503 E CB 1.566 31.113 29.700 -0.255 0.000 1.225 503 E HN 0.264 nan 8.360 nan 0.000 0.412 504 Y N 2.580 122.653 120.300 -0.379 0.000 2.563 504 Y HA 0.210 4.688 4.550 -0.121 0.000 0.250 504 Y C 0.565 176.165 175.900 -0.500 0.000 1.126 504 Y CA -0.158 57.637 58.100 -0.508 0.000 1.231 504 Y CB 0.449 38.471 38.460 -0.730 0.000 1.288 504 Y HN 0.417 nan 8.280 nan 0.000 0.537 505 Y N -1.462 118.925 120.300 0.145 0.000 2.526 505 Y HA 0.082 4.561 4.550 -0.119 0.000 0.265 505 Y C 2.412 178.375 175.900 0.104 0.000 1.092 505 Y CA 0.114 58.291 58.100 0.129 0.000 1.277 505 Y CB -0.374 38.164 38.460 0.131 0.000 1.228 505 Y HN 0.058 nan 8.280 nan 0.000 0.507 506 S N -0.404 115.433 115.700 0.230 0.000 2.382 506 S HA -0.222 4.176 4.470 -0.121 0.000 0.228 506 S C 1.500 176.185 174.600 0.142 0.000 1.027 506 S CA 1.830 60.143 58.200 0.189 0.000 0.991 506 S CB -0.586 62.729 63.200 0.192 0.000 0.823 506 S HN 0.445 nan 8.310 nan 0.000 0.469 507 H N 2.961 121.942 119.070 -0.148 0.000 2.363 507 H HA 0.169 4.653 4.556 -0.120 0.000 0.301 507 H C -0.632 174.522 175.328 -0.289 0.000 1.074 507 H CA 1.405 57.215 56.048 -0.396 0.000 1.354 507 H CB -1.722 27.509 29.762 -0.886 0.000 1.397 507 H HN 0.404 nan 8.280 nan 0.000 0.516 508 P HA -0.176 nan 4.420 nan 0.000 0.215 508 P C 1.520 179.014 177.300 0.322 0.000 1.157 508 P CA 1.648 64.920 63.100 0.287 0.000 0.874 508 P CB 0.102 31.987 31.700 0.307 0.000 0.790 509 R N -0.319 120.318 120.500 0.229 0.000 2.073 509 R HA -0.148 4.120 4.340 -0.121 0.000 0.234 509 R C 2.242 178.671 176.300 0.215 0.000 1.134 509 R CA 1.342 57.576 56.100 0.223 0.000 0.952 509 R CB -1.118 29.276 30.300 0.156 0.000 0.850 509 R HN 0.066 nan 8.270 nan 0.000 0.433 510 L N 0.478 121.770 121.223 0.115 0.000 2.079 510 L HA -0.150 4.118 4.340 -0.121 0.000 0.210 510 L C 1.953 178.869 176.870 0.077 0.000 1.081 510 L CA 1.691 56.559 54.840 0.048 0.000 0.752 510 L CB -0.673 41.340 42.059 -0.076 0.000 0.896 510 L HN 0.226 nan 8.230 nan 0.000 0.433 511 F N -0.561 119.425 119.950 0.060 0.000 2.075 511 F HA -0.259 4.198 4.527 -0.118 0.000 0.297 511 F C 2.342 178.149 175.800 0.012 0.000 1.113 511 F CA 2.257 60.277 58.000 0.033 0.000 1.218 511 F CB -0.827 38.239 39.000 0.110 0.000 0.984 511 F HN 0.378 nan 8.300 nan 0.000 0.472 512 W N 1.421 122.710 121.300 -0.018 0.000 2.335 512 W HA -0.242 4.345 4.660 -0.122 0.000 0.311 512 W C 1.751 178.153 176.519 -0.195 0.000 1.213 512 W CA 1.910 59.196 57.345 -0.099 0.000 1.274 512 W CB -0.722 28.775 29.460 0.061 0.000 1.148 512 W HN 0.105 nan 8.180 nan 0.000 0.498 513 L N 1.077 122.239 121.223 -0.102 0.000 2.376 513 L HA -0.132 4.136 4.340 -0.121 0.000 0.219 513 L C 2.268 178.955 176.870 -0.305 0.000 1.133 513 L CA 0.998 55.713 54.840 -0.209 0.000 0.816 513 L CB -0.703 41.347 42.059 -0.015 0.000 0.933 513 L HN -0.161 nan 8.230 nan 0.000 0.449 514 S N -1.486 114.005 115.700 -0.350 0.000 2.593 514 S HA 0.061 4.459 4.470 -0.121 0.000 0.217 514 S C 0.718 175.028 174.600 -0.484 0.000 0.966 514 S CA 0.014 58.003 58.200 -0.352 0.000 0.914 514 S CB 0.013 63.028 63.200 -0.308 0.000 0.776 514 S HN 0.283 nan 8.310 nan 0.000 0.523 515 Q N 2.436 121.845 119.800 -0.651 0.000 2.299 515 Q HA 0.265 4.533 4.340 -0.121 0.000 0.246 515 Q C 0.717 176.335 176.000 -0.636 0.000 0.935 515 Q CA -0.038 55.347 55.803 -0.697 0.000 0.887 515 Q CB 0.519 28.774 28.738 -0.805 0.000 1.223 515 Q HN 0.452 nan 8.270 nan 0.000 0.439 516 T N -1.315 112.828 114.554 -0.686 0.000 2.701 516 T HA 0.138 4.415 4.350 -0.121 0.000 0.303 516 T C -1.728 172.542 174.700 -0.717 0.000 1.030 516 T CA -1.206 60.477 62.100 -0.695 0.000 1.010 516 T CB 0.157 68.426 68.868 -0.998 0.000 1.007 516 T HN 0.245 nan 8.240 nan 0.000 0.532 517 P HA 0.006 nan 4.420 nan 0.000 0.216 517 P C 1.451 178.559 177.300 -0.320 0.000 1.153 517 P CA 0.890 63.793 63.100 -0.329 0.000 0.848 517 P CB -0.227 31.388 31.700 -0.142 0.000 0.787 518 F N 0.027 119.782 119.950 -0.325 0.000 2.234 518 F HA 0.018 4.473 4.527 -0.121 0.000 0.299 518 F C 1.766 177.208 175.800 -0.597 0.000 1.087 518 F CA 0.970 58.704 58.000 -0.443 0.000 1.340 518 F CB -1.547 37.184 39.000 -0.448 0.000 1.031 518 F HN -0.103 nan 8.300 nan 0.000 0.500 519 E N 0.450 120.016 120.200 -1.057 0.000 2.106 519 E HA -0.202 4.076 4.350 -0.121 0.000 0.192 519 E C 2.212 178.599 176.600 -0.355 0.000 0.984 519 E CA 1.339 57.363 56.400 -0.627 0.000 0.806 519 E CB -0.244 29.040 29.700 -0.693 0.000 0.750 519 E HN 0.632 nan 8.360 nan 0.000 0.458 520 Q N 0.183 119.693 119.800 -0.482 0.000 2.124 520 Q HA -0.189 4.078 4.340 -0.121 0.000 0.202 520 Q C 2.224 178.233 176.000 0.014 0.000 0.977 520 Q CA 1.196 56.735 55.803 -0.440 0.000 0.850 520 Q CB -0.122 28.062 28.738 -0.924 0.000 0.901 520 Q HN 0.090 nan 8.270 nan 0.000 0.429 521 R N 0.026 120.508 120.500 -0.029 0.000 2.066 521 R HA -0.146 4.122 4.340 -0.121 0.000 0.232 521 R C 1.867 178.324 176.300 0.262 0.000 1.131 521 R CA 1.580 57.754 56.100 0.123 0.000 0.955 521 R CB -0.130 30.200 30.300 0.050 0.000 0.851 521 R HN 0.442 nan 8.270 nan 0.000 0.432 522 H N -0.379 118.783 119.070 0.154 0.000 2.352 522 H HA -0.120 4.364 4.556 -0.121 0.000 0.299 522 H C 2.162 177.607 175.328 0.195 0.000 1.097 522 H CA 1.468 57.623 56.048 0.178 0.000 1.311 522 H CB -0.038 29.835 29.762 0.185 0.000 1.377 522 H HN 0.223 nan 8.280 nan 0.000 0.504 523 I N 0.210 120.991 120.570 0.351 0.000 2.179 523 I HA -0.261 3.836 4.170 -0.121 0.000 0.242 523 I C 2.331 178.738 176.117 0.482 0.000 1.088 523 I CA 0.850 62.396 61.300 0.409 0.000 1.357 523 I CB -0.190 38.132 38.000 0.537 0.000 1.051 523 I HN 0.094 nan 8.210 nan 0.000 0.409 524 V N 0.941 121.129 119.914 0.456 0.000 2.287 524 V HA -0.313 3.734 4.120 -0.121 0.000 0.248 524 V C 2.041 178.313 176.094 0.297 0.000 1.053 524 V CA 2.110 64.630 62.300 0.366 0.000 1.027 524 V CB -0.705 31.288 31.823 0.283 0.000 0.646 524 V HN 0.419 nan 8.190 nan 0.000 0.447 525 D N 0.474 121.033 120.400 0.265 0.000 2.178 525 D HA -0.094 4.473 4.640 -0.121 0.000 0.201 525 D C 2.174 178.564 176.300 0.149 0.000 0.980 525 D CA 1.493 55.620 54.000 0.211 0.000 0.842 525 D CB -0.570 40.364 40.800 0.222 0.000 0.948 525 D HN 0.484 nan 8.370 nan 0.000 0.472 526 G N 0.158 109.030 108.800 0.120 0.000 2.433 526 G HA2 -0.251 3.636 3.960 -0.121 0.000 0.216 526 G HA3 -0.251 3.636 3.960 -0.121 0.000 0.216 526 G C 1.455 176.365 174.900 0.017 0.000 1.186 526 G CA 0.209 45.287 45.100 -0.036 0.000 0.779 526 G HN 0.167 nan 8.290 nan 0.000 0.543 527 F N 1.785 121.776 119.950 0.069 0.000 2.126 527 F HA -0.079 4.375 4.527 -0.121 0.000 0.299 527 F C 3.171 178.896 175.800 -0.125 0.000 1.096 527 F CA 1.634 59.612 58.000 -0.037 0.000 1.255 527 F CB -0.361 38.627 39.000 -0.019 0.000 0.997 527 F HN 0.085 nan 8.300 nan 0.000 0.479 528 S N -0.159 115.635 115.700 0.157 0.000 2.368 528 S HA -0.204 4.193 4.470 -0.121 0.000 0.225 528 S C 1.861 176.487 174.600 0.043 0.000 1.030 528 S CA 1.246 59.486 58.200 0.068 0.000 0.999 528 S CB -0.767 62.496 63.200 0.104 0.000 0.844 528 S HN 0.393 nan 8.310 nan 0.000 0.459 529 F N 2.555 122.468 119.950 -0.062 0.000 2.075 529 F HA -0.113 4.341 4.527 -0.122 0.000 0.297 529 F C 2.376 178.109 175.800 -0.111 0.000 1.113 529 F CA 1.582 59.532 58.000 -0.083 0.000 1.218 529 F CB -0.361 38.526 39.000 -0.188 0.000 0.984 529 F HN 0.121 nan 8.300 nan 0.000 0.472 530 E N 0.580 120.787 120.200 0.013 0.000 2.038 530 E HA -0.239 4.039 4.350 -0.121 0.000 0.195 530 E C 2.351 178.760 176.600 -0.318 0.000 1.000 530 E CA 1.846 58.203 56.400 -0.072 0.000 0.803 530 E CB -0.589 29.203 29.700 0.153 0.000 0.750 530 E HN 0.476 nan 8.360 nan 0.000 0.448 531 L N 0.895 121.838 121.223 -0.466 0.000 2.275 531 L HA -0.119 4.149 4.340 -0.121 0.000 0.215 531 L C 2.420 179.122 176.870 -0.280 0.000 1.119 531 L CA 0.480 55.026 54.840 -0.490 0.000 0.790 531 L CB -0.163 41.625 42.059 -0.452 0.000 0.919 531 L HN 0.009 nan 8.230 nan 0.000 0.443 532 S N -0.289 115.263 115.700 -0.246 0.000 2.447 532 S HA -0.132 4.265 4.470 -0.121 0.000 0.233 532 S C 1.694 176.175 174.600 -0.199 0.000 1.006 532 S CA 1.101 59.181 58.200 -0.199 0.000 0.957 532 S CB -0.063 63.011 63.200 -0.210 0.000 0.773 532 S HN 0.391 nan 8.310 nan 0.000 0.507 533 K N 0.834 121.093 120.400 -0.236 0.000 2.404 533 K HA 0.185 4.432 4.320 -0.121 0.000 0.194 533 K C -0.340 176.248 176.600 -0.021 0.000 1.023 533 K CA -0.008 56.200 56.287 -0.131 0.000 1.094 533 K CB 0.514 32.925 32.500 -0.149 0.000 0.841 533 K HN 0.085 nan 8.250 nan 0.000 0.523 534 V N 1.810 121.692 119.914 -0.053 0.000 2.455 534 V HA -0.026 4.021 4.120 -0.121 0.000 0.273 534 V C 1.421 177.503 176.094 -0.021 0.000 1.045 534 V CA -0.028 62.272 62.300 0.000 0.000 0.976 534 V CB 1.433 33.224 31.823 -0.053 0.000 0.993 534 V HN -0.014 nan 8.190 nan 0.000 0.475 535 V N 5.295 125.221 119.914 0.019 0.000 2.379 535 V HA -0.054 3.993 4.120 -0.121 0.000 0.245 535 V C 1.272 177.360 176.094 -0.011 0.000 1.044 535 V CA 1.265 63.573 62.300 0.013 0.000 1.036 535 V CB -0.493 31.356 31.823 0.043 0.000 0.664 535 V HN 0.773 nan 8.190 nan 0.000 0.453 536 R N 1.009 121.482 120.500 -0.044 0.000 2.242 536 R HA 0.183 4.451 4.340 -0.121 0.000 0.334 536 R C -1.754 174.451 176.300 -0.159 0.000 1.071 536 R CA -1.326 54.731 56.100 -0.071 0.000 0.922 536 R CB 0.456 30.684 30.300 -0.121 0.000 1.023 536 R HN 0.249 nan 8.270 nan 0.000 0.458 537 P HA -0.200 nan 4.420 nan 0.000 0.218 537 P C 0.719 177.999 177.300 -0.032 0.000 1.149 537 P CA 1.032 64.113 63.100 -0.031 0.000 0.817 537 P CB -0.001 31.711 31.700 0.020 0.000 0.785 538 Y N -0.951 119.348 120.300 -0.001 0.000 2.224 538 Y HA -0.128 4.349 4.550 -0.121 0.000 0.289 538 Y C 1.960 177.865 175.900 0.008 0.000 1.146 538 Y CA 0.881 58.982 58.100 0.000 0.000 1.182 538 Y CB -1.754 36.706 38.460 0.001 0.000 0.983 538 Y HN -0.130 nan 8.280 nan 0.000 0.524 539 I N 0.955 121.100 120.570 -0.707 0.000 2.179 539 I HA -0.283 3.814 4.170 -0.121 0.000 0.242 539 I C 2.587 178.607 176.117 -0.161 0.000 1.088 539 I CA 1.659 62.711 61.300 -0.414 0.000 1.357 539 I CB -0.429 37.321 38.000 -0.417 0.000 1.051 539 I HN 0.225 nan 8.210 nan 0.000 0.409 540 R N 0.845 121.248 120.500 -0.162 0.000 2.083 540 R HA -0.194 4.074 4.340 -0.121 0.000 0.237 540 R C 2.153 178.401 176.300 -0.085 0.000 1.137 540 R CA 1.607 57.624 56.100 -0.137 0.000 0.951 540 R CB -0.473 29.746 30.300 -0.135 0.000 0.851 540 R HN 0.447 nan 8.270 nan 0.000 0.434 541 E N 0.574 120.745 120.200 -0.048 0.000 2.077 541 E HA -0.167 4.110 4.350 -0.121 0.000 0.193 541 E C 2.114 178.716 176.600 0.003 0.000 0.989 541 E CA 1.166 57.557 56.400 -0.015 0.000 0.800 541 E CB -0.047 29.665 29.700 0.020 0.000 0.746 541 E HN 0.291 nan 8.360 nan 0.000 0.452 542 R N 0.330 120.844 120.500 0.024 0.000 2.120 542 R HA -0.093 4.175 4.340 -0.121 0.000 0.234 542 R C 2.350 178.671 176.300 0.034 0.000 1.123 542 R CA 1.004 57.130 56.100 0.044 0.000 0.975 542 R CB -0.273 30.070 30.300 0.071 0.000 0.866 542 R HN 0.066 nan 8.270 nan 0.000 0.446 543 V N 0.346 120.274 119.914 0.023 0.000 2.307 543 V HA -0.192 3.855 4.120 -0.121 0.000 0.245 543 V C 2.322 178.401 176.094 -0.026 0.000 1.045 543 V CA 1.440 63.768 62.300 0.047 0.000 1.024 543 V CB -0.320 31.545 31.823 0.069 0.000 0.651 543 V HN 0.105 nan 8.190 nan 0.000 0.449 544 V N 0.608 120.479 119.914 -0.072 0.000 2.324 544 V HA -0.353 3.695 4.120 -0.121 0.000 0.250 544 V C 2.361 178.418 176.094 -0.062 0.000 1.060 544 V CA 2.589 64.827 62.300 -0.103 0.000 1.042 544 V CB -0.704 31.061 31.823 -0.097 0.000 0.650 544 V HN 0.661 nan 8.190 nan 0.000 0.450 545 D N -0.867 119.527 120.400 -0.009 0.000 2.116 545 D HA -0.209 4.359 4.640 -0.121 0.000 0.193 545 D C 2.282 178.657 176.300 0.125 0.000 0.998 545 D CA 1.360 55.389 54.000 0.047 0.000 0.836 545 D CB -0.060 40.785 40.800 0.074 0.000 0.951 545 D HN 0.366 nan 8.370 nan 0.000 0.449 546 Q N -0.229 119.620 119.800 0.082 0.000 2.084 546 Q HA -0.095 4.173 4.340 -0.121 0.000 0.202 546 Q C 2.630 178.664 176.000 0.057 0.000 0.978 546 Q CA 0.687 56.548 55.803 0.096 0.000 0.844 546 Q CB -0.378 28.430 28.738 0.117 0.000 0.898 546 Q HN 0.454 nan 8.270 nan 0.000 0.426 547 L N 0.209 121.399 121.223 -0.055 0.000 2.079 547 L HA -0.157 4.110 4.340 -0.121 0.000 0.210 547 L C 2.394 179.161 176.870 -0.171 0.000 1.081 547 L CA 1.030 55.765 54.840 -0.176 0.000 0.752 547 L CB -0.710 41.138 42.059 -0.352 0.000 0.896 547 L HN 0.115 nan 8.230 nan 0.000 0.433 548 A N -0.723 122.017 122.820 -0.133 0.000 2.070 548 A HA -0.214 4.034 4.320 -0.121 0.000 0.220 548 A C 1.694 179.124 177.584 -0.257 0.000 1.159 548 A CA 1.373 53.297 52.037 -0.188 0.000 0.656 548 A CB -0.754 18.134 19.000 -0.187 0.000 0.800 548 A HN 0.471 nan 8.150 nan 0.000 0.453 549 H N -1.490 117.386 119.070 -0.324 0.000 2.539 549 H HA 0.318 4.802 4.556 -0.120 0.000 0.267 549 H C 1.476 176.533 175.328 -0.450 0.000 0.982 549 H CA 0.645 56.380 56.048 -0.522 0.000 1.146 549 H CB 0.095 29.190 29.762 -1.112 0.000 1.382 549 H HN 0.496 nan 8.280 nan 0.000 0.577 550 I N -1.198 119.284 120.570 -0.147 0.000 2.900 550 I HA 0.093 4.190 4.170 -0.121 0.000 0.251 550 I C -0.117 175.931 176.117 -0.114 0.000 1.102 550 I CA 0.391 61.665 61.300 -0.045 0.000 1.457 550 I CB 0.756 38.752 38.000 -0.006 0.000 1.285 550 I HN 0.104 nan 8.210 nan 0.000 0.459 551 D N -0.505 119.753 120.400 -0.236 0.000 2.937 551 D HA 0.143 4.711 4.640 -0.121 0.000 0.215 551 D C 0.143 176.269 176.300 -0.291 0.000 1.274 551 D CA -0.424 53.409 54.000 -0.278 0.000 0.869 551 D CB 1.525 42.029 40.800 -0.494 0.000 1.675 551 D HN -0.064 nan 8.370 nan 0.000 0.538 552 L N 3.127 124.237 121.223 -0.188 0.000 2.240 552 L HA 0.027 4.294 4.340 -0.121 0.000 0.211 552 L C 1.172 177.956 176.870 -0.142 0.000 1.106 552 L CA 1.765 56.511 54.840 -0.157 0.000 0.793 552 L CB -0.780 41.215 42.059 -0.106 0.000 0.927 552 L HN 0.598 nan 8.230 nan 0.000 0.446 553 T N 0.907 115.394 114.554 -0.113 0.000 2.812 553 T HA -0.158 4.119 4.350 -0.121 0.000 0.264 553 T C 1.862 176.482 174.700 -0.133 0.000 1.042 553 T CA 1.525 63.604 62.100 -0.036 0.000 1.140 553 T CB -0.217 68.724 68.868 0.121 0.000 0.870 553 T HN 0.318 nan 8.240 nan 0.000 0.445 554 L N 1.735 122.690 121.223 -0.447 0.000 2.017 554 L HA 0.097 4.365 4.340 -0.121 0.000 0.208 554 L C 2.580 179.213 176.870 -0.395 0.000 1.073 554 L CA 2.024 56.453 54.840 -0.685 0.000 0.745 554 L CB -1.126 40.096 42.059 -1.395 0.000 0.894 554 L HN 0.193 nan 8.230 nan 0.000 0.432 555 A N -0.894 121.716 122.820 -0.351 0.000 1.883 555 A HA -0.279 3.968 4.320 -0.121 0.000 0.217 555 A C 2.246 179.729 177.584 -0.168 0.000 1.186 555 A CA 2.027 53.910 52.037 -0.257 0.000 0.624 555 A CB -0.734 18.133 19.000 -0.222 0.000 0.822 555 A HN 0.686 nan 8.150 nan 0.000 0.444 556 Q N -0.914 118.809 119.800 -0.129 0.000 2.084 556 Q HA -0.118 4.150 4.340 -0.121 0.000 0.202 556 Q C 2.434 178.404 176.000 -0.050 0.000 0.978 556 Q CA 1.459 57.217 55.803 -0.076 0.000 0.844 556 Q CB -0.361 28.347 28.738 -0.050 0.000 0.898 556 Q HN 0.697 nan 8.270 nan 0.000 0.426 557 A N 0.035 122.832 122.820 -0.038 0.000 1.930 557 A HA -0.108 4.140 4.320 -0.121 0.000 0.217 557 A C 2.272 179.856 177.584 0.001 0.000 1.175 557 A CA 1.100 53.143 52.037 0.009 0.000 0.627 557 A CB -0.481 18.557 19.000 0.062 0.000 0.815 557 A HN 0.207 nan 8.150 nan 0.000 0.443 558 V N -0.131 119.755 119.914 -0.046 0.000 2.307 558 V HA -0.215 3.833 4.120 -0.121 0.000 0.245 558 V C 3.072 179.134 176.094 -0.053 0.000 1.045 558 V CA 1.803 64.073 62.300 -0.049 0.000 1.024 558 V CB -1.255 30.488 31.823 -0.134 0.000 0.651 558 V HN 0.598 nan 8.190 nan 0.000 0.449 559 A N -0.109 122.667 122.820 -0.072 0.000 1.917 559 A HA -0.318 3.929 4.320 -0.121 0.000 0.219 559 A C 2.368 179.932 177.584 -0.032 0.000 1.182 559 A CA 2.435 54.437 52.037 -0.058 0.000 0.633 559 A CB -0.563 18.401 19.000 -0.061 0.000 0.819 559 A HN 0.514 nan 8.150 nan 0.000 0.448 560 K N -0.524 119.865 120.400 -0.019 0.000 2.097 560 K HA -0.162 4.086 4.320 -0.121 0.000 0.205 560 K C 1.283 177.888 176.600 0.007 0.000 1.050 560 K CA 1.447 57.733 56.287 -0.002 0.000 0.938 560 K CB -0.248 32.257 32.500 0.007 0.000 0.718 560 K HN 0.443 nan 8.250 nan 0.000 0.442 561 N N 0.736 119.444 118.700 0.014 0.000 2.453 561 N HA -0.108 4.559 4.740 -0.121 0.000 0.183 561 N C 1.035 176.548 175.510 0.005 0.000 1.041 561 N CA 0.657 53.722 53.050 0.025 0.000 0.900 561 N CB 0.105 38.621 38.487 0.048 0.000 0.961 561 N HN 0.149 nan 8.380 nan 0.000 0.443 562 L N -0.325 120.889 121.223 -0.015 0.000 2.640 562 L HA 0.293 4.561 4.340 -0.121 0.000 0.230 562 L C 1.135 177.992 176.870 -0.022 0.000 1.123 562 L CA 0.070 54.892 54.840 -0.030 0.000 0.900 562 L CB -0.793 41.234 42.059 -0.054 0.000 1.146 562 L HN 0.189 nan 8.230 nan 0.000 0.484 563 G N 0.698 109.491 108.800 -0.012 0.000 2.221 563 G HA2 -0.292 3.595 3.960 -0.121 0.000 0.265 563 G HA3 -0.292 3.595 3.960 -0.121 0.000 0.265 563 G C 0.333 175.226 174.900 -0.013 0.000 1.041 563 G CA 0.428 45.524 45.100 -0.008 0.000 0.807 563 G HN 0.321 nan 8.290 nan 0.000 0.502 564 I N -0.157 120.401 120.570 -0.020 0.000 2.562 564 I HA 0.418 4.515 4.170 -0.121 0.000 0.301 564 I C -0.063 176.040 176.117 -0.023 0.000 1.003 564 I CA -0.856 60.431 61.300 -0.023 0.000 1.127 564 I CB 1.641 39.621 38.000 -0.033 0.000 1.304 564 I HN -0.040 nan 8.210 nan 0.000 0.446 565 E N 5.053 125.240 120.200 -0.021 0.000 2.158 565 E HA 0.339 4.616 4.350 -0.121 0.000 0.271 565 E C -1.070 175.514 176.600 -0.028 0.000 0.911 565 E CA -0.997 55.389 56.400 -0.022 0.000 0.767 565 E CB 2.294 31.985 29.700 -0.015 0.000 1.120 565 E HN 0.220 nan 8.360 nan 0.000 0.405 566 L N 2.653 123.854 121.223 -0.035 0.000 2.426 566 L HA 0.101 4.369 4.340 -0.121 0.000 0.271 566 L C 1.199 178.047 176.870 -0.036 0.000 1.169 566 L CA 0.272 55.086 54.840 -0.043 0.000 0.836 566 L CB 0.554 42.579 42.059 -0.056 0.000 1.112 566 L HN 0.551 nan 8.230 nan 0.000 0.465 567 T N -1.184 113.348 114.554 -0.036 0.000 2.788 567 T HA 0.207 4.484 4.350 -0.121 0.000 0.280 567 T C 1.038 175.715 174.700 -0.039 0.000 0.984 567 T CA 0.022 62.104 62.100 -0.031 0.000 0.972 567 T CB 0.431 69.283 68.868 -0.026 0.000 1.039 567 T HN 0.666 nan 8.240 nan 0.000 0.530 568 D N 0.624 121.004 120.400 -0.033 0.000 2.127 568 D HA -0.236 4.332 4.640 -0.121 0.000 0.190 568 D C 1.363 177.637 176.300 -0.044 0.000 1.000 568 D CA 1.623 55.603 54.000 -0.034 0.000 0.839 568 D CB -0.483 40.302 40.800 -0.025 0.000 0.955 568 D HN 0.558 nan 8.370 nan 0.000 0.446 569 D N 0.210 120.584 120.400 -0.043 0.000 2.123 569 D HA -0.155 4.412 4.640 -0.121 0.000 0.196 569 D C 2.244 178.492 176.300 -0.086 0.000 0.992 569 D CA 1.058 55.026 54.000 -0.055 0.000 0.833 569 D CB -0.344 40.431 40.800 -0.041 0.000 0.954 569 D HN 0.461 nan 8.370 nan 0.000 0.455 570 Q N -0.364 119.384 119.800 -0.086 0.000 2.167 570 Q HA -0.081 4.187 4.340 -0.121 0.000 0.202 570 Q C 1.940 177.861 176.000 -0.131 0.000 0.970 570 Q CA 0.430 56.158 55.803 -0.125 0.000 0.855 570 Q CB 0.072 28.749 28.738 -0.101 0.000 0.911 570 Q HN 0.161 nan 8.270 nan 0.000 0.438 571 L N 0.982 122.149 121.223 -0.094 0.000 2.275 571 L HA -0.100 4.167 4.340 -0.121 0.000 0.215 571 L C 1.246 178.065 176.870 -0.086 0.000 1.119 571 L CA 1.415 56.205 54.840 -0.084 0.000 0.790 571 L CB -0.453 41.570 42.059 -0.060 0.000 0.919 571 L HN 0.224 nan 8.230 nan 0.000 0.443 572 N N -0.775 117.872 118.700 -0.089 0.000 2.280 572 N HA 0.145 4.812 4.740 -0.121 0.000 0.192 572 N C 0.486 175.931 175.510 -0.109 0.000 1.109 572 N CA 0.002 53.004 53.050 -0.081 0.000 0.855 572 N CB 0.452 38.903 38.487 -0.061 0.000 0.974 572 N HN 0.238 nan 8.380 nan 0.000 0.482 573 I N 1.781 122.250 120.570 -0.169 0.000 2.741 573 I HA -0.085 4.012 4.170 -0.121 0.000 0.288 573 I C 0.455 176.475 176.117 -0.163 0.000 1.192 573 I CA 0.509 61.673 61.300 -0.227 0.000 1.426 573 I CB 0.126 37.860 38.000 -0.443 0.000 1.367 573 I HN -0.164 nan 8.210 nan 0.000 0.563 574 T N 8.328 122.816 114.554 -0.111 0.000 2.853 574 T HA 0.153 4.431 4.350 -0.121 0.000 0.298 574 T C -1.947 172.715 174.700 -0.062 0.000 0.978 574 T CA -0.794 61.267 62.100 -0.064 0.000 1.152 574 T CB 0.242 69.092 68.868 -0.030 0.000 0.914 574 T HN 0.398 nan 8.240 nan 0.000 0.539 575 P HA 0.206 nan 4.420 nan 0.000 0.270 575 P C -2.348 174.966 177.300 0.023 0.000 1.223 575 P CA -1.321 61.764 63.100 -0.025 0.000 0.785 575 P CB -0.429 31.267 31.700 -0.007 0.000 0.923 576 P HA 0.223 nan 4.420 nan 0.000 0.274 576 P C -2.369 174.986 177.300 0.092 0.000 1.246 576 P CA -1.338 61.832 63.100 0.117 0.000 0.795 576 P CB -0.998 30.821 31.700 0.198 0.000 1.006 577 P HA 0.140 nan 4.420 nan 0.000 0.274 577 P C -0.298 177.052 177.300 0.083 0.000 1.246 577 P CA -0.011 63.136 63.100 0.079 0.000 0.795 577 P CB 0.462 32.209 31.700 0.078 0.000 1.006 578 D N -0.331 120.110 120.400 0.069 0.000 2.363 578 D HA 0.100 4.668 4.640 -0.121 0.000 0.240 578 D C -0.116 176.231 176.300 0.078 0.000 1.236 578 D CA 0.042 54.079 54.000 0.061 0.000 0.927 578 D CB 0.486 41.316 40.800 0.049 0.000 1.150 578 D HN -0.000 nan 8.370 nan 0.000 0.458 579 V N 2.179 122.130 119.914 0.062 0.000 2.348 579 V HA 0.056 4.104 4.120 -0.121 0.000 0.270 579 V C 0.223 176.404 176.094 0.146 0.000 1.037 579 V CA -0.457 61.907 62.300 0.108 0.000 0.872 579 V CB -0.034 31.766 31.823 -0.038 0.000 1.002 579 V HN 0.582 nan 8.190 nan 0.000 0.464 580 N N 4.438 123.241 118.700 0.171 0.000 2.716 580 N HA -0.233 4.434 4.740 -0.121 0.000 0.250 580 N C 1.158 176.720 175.510 0.087 0.000 1.033 580 N CA 1.225 54.355 53.050 0.133 0.000 0.727 580 N CB -0.904 37.693 38.487 0.184 0.000 0.950 580 N HN 1.302 nan 8.380 nan 0.000 0.541 581 G N -2.246 106.596 108.800 0.070 0.000 2.199 581 G HA2 -0.324 3.564 3.960 -0.121 0.000 0.254 581 G HA3 -0.324 3.564 3.960 -0.121 0.000 0.254 581 G C 0.104 175.031 174.900 0.045 0.000 0.982 581 G CA 0.319 45.449 45.100 0.049 0.000 0.632 581 G HN 0.395 nan 8.290 nan 0.000 0.529 582 L N 1.027 122.280 121.223 0.051 0.000 2.326 582 L HA 0.437 4.704 4.340 -0.121 0.000 0.278 582 L C 1.576 178.460 176.870 0.022 0.000 1.092 582 L CA -0.310 54.550 54.840 0.035 0.000 0.810 582 L CB 1.115 43.196 42.059 0.035 0.000 1.153 582 L HN 0.213 nan 8.230 nan 0.000 0.439 583 K N 2.684 123.092 120.400 0.014 0.000 2.374 583 K HA 0.214 4.461 4.320 -0.121 0.000 0.202 583 K C -0.439 176.155 176.600 -0.010 0.000 1.040 583 K CA -0.085 56.208 56.287 0.010 0.000 1.085 583 K CB 0.534 33.039 32.500 0.010 0.000 0.873 583 K HN 0.708 nan 8.250 nan 0.000 0.539 584 K N -0.626 119.763 120.400 -0.018 0.000 2.960 584 K HA 0.275 4.523 4.320 -0.121 0.000 0.296 584 K C -2.180 174.401 176.600 -0.032 0.000 1.092 584 K CA -0.765 55.494 56.287 -0.046 0.000 0.847 584 K CB 0.550 33.004 32.500 -0.077 0.000 1.458 584 K HN -0.156 nan 8.250 nan 0.000 0.359 585 D N 1.789 122.162 120.400 -0.045 0.000 2.365 585 D HA 0.242 4.809 4.640 -0.121 0.000 0.235 585 D C -2.002 174.279 176.300 -0.032 0.000 1.368 585 D CA -1.916 52.078 54.000 -0.011 0.000 1.001 585 D CB 1.933 42.750 40.800 0.028 0.000 1.364 585 D HN 0.347 nan 8.370 nan 0.000 0.577 586 P HA -0.119 nan 4.420 nan 0.000 0.225 586 P C 1.141 178.433 177.300 -0.014 0.000 1.148 586 P CA 0.610 63.681 63.100 -0.049 0.000 0.779 586 P CB 0.145 31.826 31.700 -0.031 0.000 0.780 587 S N -0.941 114.783 115.700 0.040 0.000 2.603 587 S HA -0.002 4.395 4.470 -0.121 0.000 0.229 587 S C 1.736 176.421 174.600 0.141 0.000 0.972 587 S CA 0.320 58.580 58.200 0.099 0.000 0.935 587 S CB -1.254 62.026 63.200 0.132 0.000 0.769 587 S HN 0.128 nan 8.310 nan 0.000 0.536 588 L N 1.027 122.289 121.223 0.065 0.000 2.529 588 L HA 0.251 4.519 4.340 -0.121 0.000 0.223 588 L C 1.411 178.175 176.870 -0.176 0.000 1.113 588 L CA 0.046 54.920 54.840 0.058 0.000 0.861 588 L CB -0.182 41.883 42.059 0.010 0.000 1.012 588 L HN 0.348 nan 8.230 nan 0.000 0.461 589 S N -0.301 115.279 115.700 -0.200 0.000 2.586 589 S HA 0.286 4.684 4.470 -0.121 0.000 0.274 589 S C 1.067 175.553 174.600 -0.189 0.000 1.281 589 S CA -0.591 57.441 58.200 -0.279 0.000 1.035 589 S CB 1.389 64.432 63.200 -0.261 0.000 0.962 589 S HN 0.169 nan 8.310 nan 0.000 0.512 590 L N 3.033 124.073 121.223 -0.304 0.000 2.109 590 L HA 0.034 4.301 4.340 -0.121 0.000 0.207 590 L C 0.847 177.421 176.870 -0.493 0.000 1.086 590 L CA 1.118 55.670 54.840 -0.480 0.000 0.760 590 L CB -0.240 41.257 42.059 -0.936 0.000 0.910 590 L HN 0.783 nan 8.230 nan 0.000 0.437 591 Y N -2.473 117.830 120.300 0.004 0.000 2.471 591 Y HA 0.334 4.812 4.550 -0.120 0.000 0.249 591 Y C 2.112 178.039 175.900 0.046 0.000 1.116 591 Y CA -0.061 58.092 58.100 0.089 0.000 1.240 591 Y CB -0.403 38.167 38.460 0.184 0.000 1.251 591 Y HN -0.044 nan 8.280 nan 0.000 0.527 592 A N 0.788 123.641 122.820 0.054 0.000 1.917 592 A HA -0.094 4.154 4.320 -0.121 0.000 0.219 592 A C 0.935 178.556 177.584 0.063 0.000 1.182 592 A CA 1.205 53.252 52.037 0.016 0.000 0.633 592 A CB -0.702 18.253 19.000 -0.074 0.000 0.819 592 A HN 0.311 nan 8.150 nan 0.000 0.448 593 I N 0.694 121.305 120.570 0.069 0.000 2.354 593 I HA 0.242 4.340 4.170 -0.121 0.000 0.286 593 I C -2.527 173.657 176.117 0.112 0.000 1.007 593 I CA -2.205 59.142 61.300 0.078 0.000 1.167 593 I CB 1.557 39.592 38.000 0.058 0.000 1.320 593 I HN -0.011 nan 8.210 nan 0.000 0.458 594 P HA -0.032 nan 4.420 nan 0.000 0.260 594 P C -0.350 177.024 177.300 0.123 0.000 1.172 594 P CA 0.381 63.569 63.100 0.146 0.000 0.760 594 P CB 0.324 32.096 31.700 0.119 0.000 0.773 595 D N 1.918 122.401 120.400 0.139 0.000 2.914 595 D HA 0.082 4.649 4.640 -0.121 0.000 0.349 595 D C 0.269 176.633 176.300 0.106 0.000 1.540 595 D CA -0.436 53.628 54.000 0.107 0.000 0.778 595 D CB -0.297 40.560 40.800 0.094 0.000 1.213 595 D HN 0.315 nan 8.370 nan 0.000 0.451 596 G N 0.385 109.258 108.800 0.123 0.000 2.398 596 G HA2 0.331 4.218 3.960 -0.121 0.000 0.246 596 G HA3 0.331 4.218 3.960 -0.121 0.000 0.246 596 G C -0.654 174.288 174.900 0.070 0.000 1.289 596 G CA 0.025 45.192 45.100 0.112 0.000 0.869 596 G HN 0.196 nan 8.290 nan 0.000 0.543 597 D N 1.170 121.602 120.400 0.054 0.000 2.686 597 D HA 0.208 4.775 4.640 -0.121 0.000 0.249 597 D C 1.023 177.337 176.300 0.023 0.000 1.260 597 D CA -0.619 53.399 54.000 0.030 0.000 0.910 597 D CB 1.873 42.683 40.800 0.017 0.000 1.323 597 D HN 0.267 nan 8.370 nan 0.000 0.561 598 V N 1.941 121.862 119.914 0.012 0.000 3.235 598 V HA 0.229 4.276 4.120 -0.121 0.000 0.259 598 V C 1.025 177.104 176.094 -0.025 0.000 1.133 598 V CA 0.193 62.496 62.300 0.004 0.000 1.128 598 V CB -0.675 31.147 31.823 -0.002 0.000 0.757 598 V HN 0.399 nan 8.190 nan 0.000 0.469 599 K N 1.266 121.643 120.400 -0.037 0.000 2.472 599 K HA 0.361 4.609 4.320 -0.121 0.000 0.280 599 K C 1.258 177.823 176.600 -0.058 0.000 1.028 599 K CA 1.094 57.338 56.287 -0.072 0.000 1.045 599 K CB 0.028 32.491 32.500 -0.062 0.000 0.902 599 K HN 0.728 nan 8.250 nan 0.000 0.478 600 G N 3.195 111.937 108.800 -0.097 0.000 2.213 600 G HA2 -0.209 3.679 3.960 -0.121 0.000 0.236 600 G HA3 -0.209 3.679 3.960 -0.121 0.000 0.236 600 G C 0.087 175.042 174.900 0.093 0.000 0.991 600 G CA -0.281 44.837 45.100 0.030 0.000 0.629 600 G HN 0.547 nan 8.290 nan 0.000 0.517 601 R N -0.081 120.440 120.500 0.034 0.000 2.822 601 R HA 0.644 4.912 4.340 -0.121 0.000 0.277 601 R C 0.422 176.788 176.300 0.109 0.000 1.102 601 R CA -0.058 56.091 56.100 0.082 0.000 1.207 601 R CB 0.311 30.650 30.300 0.065 0.000 1.139 601 R HN 0.463 nan 8.270 nan 0.000 0.557 602 V N 0.112 120.106 119.914 0.132 0.000 2.789 602 V HA 0.458 4.506 4.120 -0.121 0.000 0.311 602 V C -0.361 175.800 176.094 0.112 0.000 1.073 602 V CA -0.948 61.442 62.300 0.149 0.000 0.921 602 V CB 2.425 34.355 31.823 0.179 0.000 1.009 602 V HN 0.347 nan 8.190 nan 0.000 0.426 603 V N 2.172 122.148 119.914 0.102 0.000 2.555 603 V HA 0.817 4.865 4.120 -0.121 0.000 0.302 603 V C 0.345 176.494 176.094 0.092 0.000 1.038 603 V CA -0.573 61.775 62.300 0.081 0.000 0.887 603 V CB 1.945 33.802 31.823 0.056 0.000 0.991 603 V HN 1.090 nan 8.190 nan 0.000 0.434 604 A N 5.565 128.444 122.820 0.098 0.000 2.301 604 A HA 0.818 5.065 4.320 -0.121 0.000 0.298 604 A C -0.548 177.047 177.584 0.019 0.000 1.185 604 A CA -0.301 51.782 52.037 0.077 0.000 0.830 604 A CB 0.174 19.243 19.000 0.116 0.000 1.112 604 A HN 0.765 nan 8.150 nan 0.000 0.508 605 I N 3.386 123.964 120.570 0.012 0.000 2.382 605 I HA 0.209 4.307 4.170 -0.121 0.000 0.285 605 I C -0.606 175.517 176.117 0.009 0.000 1.007 605 I CA -0.204 61.104 61.300 0.014 0.000 1.142 605 I CB 1.427 39.450 38.000 0.038 0.000 1.289 605 I HN 0.494 nan 8.210 nan 0.000 0.453 606 L N 7.102 128.313 121.223 -0.021 0.000 2.325 606 L HA 0.402 4.669 4.340 -0.121 0.000 0.284 606 L C 0.014 176.974 176.870 0.150 0.000 1.089 606 L CA -0.261 54.611 54.840 0.054 0.000 0.836 606 L CB 0.071 42.028 42.059 -0.169 0.000 1.184 606 L HN 0.447 nan 8.230 nan 0.000 0.444 607 L N 3.550 124.919 121.223 0.243 0.000 2.454 607 L HA 0.359 4.626 4.340 -0.121 0.000 0.256 607 L C 0.109 177.173 176.870 0.324 0.000 1.136 607 L CA -0.442 54.509 54.840 0.185 0.000 0.804 607 L CB 1.289 43.384 42.059 0.060 0.000 1.181 607 L HN 0.727 nan 8.230 nan 0.000 0.469 608 N N -2.015 116.779 118.700 0.157 0.000 2.629 608 N HA 0.192 4.859 4.740 -0.121 0.000 0.279 608 N C -0.324 175.178 175.510 -0.014 0.000 1.344 608 N CA -0.766 52.415 53.050 0.218 0.000 0.789 608 N CB 0.652 39.253 38.487 0.189 0.000 1.508 608 N HN 0.503 nan 8.380 nan 0.000 0.516 609 D N -1.869 118.552 120.400 0.034 0.000 2.378 609 D HA -0.016 4.552 4.640 -0.121 0.000 0.227 609 D C -0.328 175.936 176.300 -0.060 0.000 1.012 609 D CA 0.868 54.822 54.000 -0.077 0.000 0.905 609 D CB -0.025 40.794 40.800 0.032 0.000 0.895 609 D HN 0.667 nan 8.370 nan 0.000 0.532 610 E N -0.017 120.166 120.200 -0.027 0.000 3.832 610 E HA 0.224 4.501 4.350 -0.121 0.000 0.250 610 E C -1.285 175.304 176.600 -0.019 0.000 1.215 610 E CA -0.377 56.008 56.400 -0.025 0.000 1.179 610 E CB 0.887 30.581 29.700 -0.009 0.000 1.270 610 E HN -0.095 nan 8.360 nan 0.000 0.405 611 V N 1.721 121.617 119.914 -0.030 0.000 2.617 611 V HA 0.008 4.056 4.120 -0.121 0.000 0.304 611 V C 0.809 176.890 176.094 -0.021 0.000 1.040 611 V CA 0.293 62.581 62.300 -0.019 0.000 1.149 611 V CB 0.502 32.309 31.823 -0.028 0.000 0.914 611 V HN 0.412 nan 8.190 nan 0.000 0.487 612 R N 3.627 124.115 120.500 -0.020 0.000 2.413 612 R HA 0.040 4.308 4.340 -0.121 0.000 0.333 612 R C 1.623 177.905 176.300 -0.030 0.000 1.074 612 R CA 0.693 56.777 56.100 -0.027 0.000 0.982 612 R CB 0.133 30.412 30.300 -0.035 0.000 0.981 612 R HN 0.969 nan 8.270 nan 0.000 0.452 613 S N 1.807 117.491 115.700 -0.027 0.000 2.469 613 S HA -0.214 4.183 4.470 -0.121 0.000 0.238 613 S C 1.862 176.446 174.600 -0.026 0.000 0.998 613 S CA 0.853 59.038 58.200 -0.025 0.000 0.957 613 S CB -0.015 63.172 63.200 -0.022 0.000 0.764 613 S HN 0.589 nan 8.310 nan 0.000 0.514 614 A N 1.880 124.681 122.820 -0.032 0.000 1.929 614 A HA -0.013 4.234 4.320 -0.121 0.000 0.216 614 A C 1.957 179.513 177.584 -0.047 0.000 1.176 614 A CA 1.332 53.347 52.037 -0.036 0.000 0.628 614 A CB -0.632 18.343 19.000 -0.041 0.000 0.816 614 A HN 0.443 nan 8.150 nan 0.000 0.444 615 D N 0.005 120.369 120.400 -0.060 0.000 2.097 615 D HA -0.092 4.475 4.640 -0.121 0.000 0.197 615 D C 1.965 178.241 176.300 -0.041 0.000 0.984 615 D CA 0.792 54.742 54.000 -0.083 0.000 0.826 615 D CB -0.298 40.444 40.800 -0.095 0.000 0.973 615 D HN 0.354 nan 8.370 nan 0.000 0.460 616 L N 0.335 121.544 121.223 -0.023 0.000 2.012 616 L HA -0.180 4.088 4.340 -0.121 0.000 0.210 616 L C 2.519 179.390 176.870 0.002 0.000 1.073 616 L CA 0.817 55.655 54.840 -0.003 0.000 0.748 616 L CB -0.295 41.761 42.059 -0.005 0.000 0.891 616 L HN 0.119 nan 8.230 nan 0.000 0.431 617 L N -0.765 120.454 121.223 -0.006 0.000 1.989 617 L HA -0.243 4.025 4.340 -0.121 0.000 0.211 617 L C 2.853 179.726 176.870 0.004 0.000 1.071 617 L CA 1.396 56.235 54.840 -0.001 0.000 0.749 617 L CB -0.731 41.325 42.059 -0.006 0.000 0.890 617 L HN 0.277 nan 8.230 nan 0.000 0.431 618 A N 0.252 123.070 122.820 -0.002 0.000 1.908 618 A HA -0.216 4.031 4.320 -0.121 0.000 0.218 618 A C 2.173 179.777 177.584 0.033 0.000 1.181 618 A CA 1.734 53.776 52.037 0.008 0.000 0.627 618 A CB -0.713 18.281 19.000 -0.010 0.000 0.818 618 A HN 0.367 nan 8.150 nan 0.000 0.445 619 I N -0.470 120.124 120.570 0.040 0.000 2.113 619 I HA -0.276 3.822 4.170 -0.121 0.000 0.238 619 I C 2.425 178.572 176.117 0.050 0.000 1.070 619 I CA 1.387 62.730 61.300 0.072 0.000 1.332 619 I CB -0.396 37.651 38.000 0.077 0.000 1.044 619 I HN 0.281 nan 8.210 nan 0.000 0.402 620 L N 0.374 121.618 121.223 0.035 0.000 2.131 620 L HA -0.217 4.050 4.340 -0.121 0.000 0.210 620 L C 2.608 179.491 176.870 0.022 0.000 1.092 620 L CA 1.302 56.159 54.840 0.029 0.000 0.759 620 L CB -0.518 41.556 42.059 0.025 0.000 0.903 620 L HN 0.240 nan 8.230 nan 0.000 0.435 621 K N 0.287 120.699 120.400 0.019 0.000 2.025 621 K HA -0.162 4.086 4.320 -0.121 0.000 0.207 621 K C 2.155 178.763 176.600 0.014 0.000 1.049 621 K CA 1.316 57.611 56.287 0.014 0.000 0.933 621 K CB -0.061 32.446 32.500 0.013 0.000 0.714 621 K HN 0.261 nan 8.250 nan 0.000 0.438 622 A N 1.059 123.893 122.820 0.022 0.000 1.930 622 A HA -0.081 4.167 4.320 -0.121 0.000 0.217 622 A C 2.057 179.646 177.584 0.008 0.000 1.175 622 A CA 1.026 53.075 52.037 0.021 0.000 0.627 622 A CB -0.479 18.544 19.000 0.040 0.000 0.815 622 A HN 0.273 nan 8.150 nan 0.000 0.443 623 L N -0.736 120.492 121.223 0.009 0.000 2.017 623 L HA -0.198 4.070 4.340 -0.121 0.000 0.208 623 L C 2.618 179.467 176.870 -0.035 0.000 1.073 623 L CA 1.981 56.814 54.840 -0.011 0.000 0.745 623 L CB -0.483 41.578 42.059 0.003 0.000 0.894 623 L HN 0.455 nan 8.230 nan 0.000 0.432 624 K N 0.542 120.931 120.400 -0.018 0.000 2.063 624 K HA -0.208 4.039 4.320 -0.121 0.000 0.208 624 K C 2.070 178.652 176.600 -0.030 0.000 1.048 624 K CA 1.521 57.794 56.287 -0.023 0.000 0.928 624 K CB -0.151 32.349 32.500 -0.001 0.000 0.713 624 K HN 0.269 nan 8.250 nan 0.000 0.442 625 A N 0.787 123.596 122.820 -0.019 0.000 2.019 625 A HA -0.118 4.129 4.320 -0.121 0.000 0.219 625 A C 1.530 179.097 177.584 -0.028 0.000 1.164 625 A CA 1.430 53.456 52.037 -0.017 0.000 0.644 625 A CB -0.178 18.818 19.000 -0.007 0.000 0.805 625 A HN 0.185 nan 8.150 nan 0.000 0.449 626 K N -1.504 118.873 120.400 -0.039 0.000 2.358 626 K HA 0.210 4.457 4.320 -0.121 0.000 0.197 626 K C 0.976 177.528 176.600 -0.080 0.000 1.025 626 K CA 0.659 56.918 56.287 -0.046 0.000 1.104 626 K CB 0.122 32.600 32.500 -0.038 0.000 0.855 626 K HN 0.737 nan 8.250 nan 0.000 0.531 627 G N 1.559 110.293 108.800 -0.109 0.000 2.147 627 G HA2 -0.229 3.658 3.960 -0.121 0.000 0.244 627 G HA3 -0.229 3.658 3.960 -0.121 0.000 0.244 627 G C 0.067 174.760 174.900 -0.344 0.000 1.005 627 G CA 0.187 45.175 45.100 -0.187 0.000 0.713 627 G HN 0.107 nan 8.290 nan 0.000 0.515 628 V N 0.857 120.611 119.914 -0.267 0.000 2.465 628 V HA 0.513 4.561 4.120 -0.121 0.000 0.279 628 V C 0.781 176.699 176.094 -0.293 0.000 1.045 628 V CA -0.667 61.479 62.300 -0.256 0.000 0.938 628 V CB 1.062 32.828 31.823 -0.096 0.000 0.986 628 V HN 0.446 nan 8.190 nan 0.000 0.467 629 H N 1.713 120.798 119.070 0.024 0.000 2.499 629 H HA 0.785 5.268 4.556 -0.121 0.000 0.352 629 H C 0.190 175.540 175.328 0.036 0.000 1.237 629 H CA 0.030 56.095 56.048 0.028 0.000 1.343 629 H CB 1.262 31.042 29.762 0.030 0.000 1.578 629 H HN 0.847 nan 8.280 nan 0.000 0.577 630 A N 1.014 123.942 122.820 0.181 0.000 2.401 630 A HA 0.542 4.790 4.320 -0.121 0.000 0.310 630 A C -1.074 176.570 177.584 0.099 0.000 1.075 630 A CA -1.031 51.074 52.037 0.113 0.000 0.746 630 A CB 1.085 20.134 19.000 0.081 0.000 1.277 630 A HN 0.786 nan 8.150 nan 0.000 0.425 631 K N 2.266 122.717 120.400 0.085 0.000 2.463 631 K HA 0.657 4.904 4.320 -0.121 0.000 0.255 631 K C -1.637 174.995 176.600 0.054 0.000 0.942 631 K CA -0.480 55.850 56.287 0.071 0.000 0.814 631 K CB 1.418 33.970 32.500 0.085 0.000 1.122 631 K HN 0.509 nan 8.250 nan 0.000 0.425 632 L N 4.409 125.656 121.223 0.039 0.000 2.261 632 L HA 0.287 4.554 4.340 -0.121 0.000 0.289 632 L C -0.733 176.152 176.870 0.026 0.000 1.059 632 L CA -1.036 53.822 54.840 0.030 0.000 0.816 632 L CB 0.441 42.508 42.059 0.015 0.000 1.191 632 L HN 0.480 nan 8.230 nan 0.000 0.431 633 L N 4.392 125.640 121.223 0.042 0.000 2.334 633 L HA 0.594 4.861 4.340 -0.121 0.000 0.273 633 L C -0.476 176.379 176.870 -0.025 0.000 1.013 633 L CA -0.392 54.450 54.840 0.002 0.000 0.816 633 L CB 1.516 43.607 42.059 0.053 0.000 1.278 633 L HN 0.348 nan 8.230 nan 0.000 0.431 634 Y N -0.720 119.230 120.300 -0.583 0.000 2.840 634 Y HA 0.296 4.773 4.550 -0.121 0.000 0.324 634 Y C 0.805 175.957 175.900 -1.248 0.000 1.378 634 Y CA -0.516 57.120 58.100 -0.773 0.000 1.077 634 Y CB 1.405 39.701 38.460 -0.273 0.000 1.361 634 Y HN 0.540 nan 8.280 nan 0.000 0.459 635 S N 0.689 115.459 115.700 -1.549 0.000 2.593 635 S HA 0.255 4.652 4.470 -0.121 0.000 0.217 635 S C -0.021 174.287 174.600 -0.486 0.000 0.966 635 S CA 0.309 57.965 58.200 -0.906 0.000 0.914 635 S CB -0.344 62.480 63.200 -0.627 0.000 0.776 635 S HN 0.599 nan 8.310 nan 0.000 0.523 636 R N -1.237 119.067 120.500 -0.327 0.000 2.766 636 R HA 0.637 4.904 4.340 -0.121 0.000 0.270 636 R C -0.797 175.501 176.300 -0.004 0.000 1.035 636 R CA -1.107 54.935 56.100 -0.098 0.000 0.911 636 R CB 0.486 30.774 30.300 -0.019 0.000 1.243 636 R HN -0.093 nan 8.270 nan 0.000 0.460 637 M N 0.040 119.639 119.600 -0.002 0.000 2.154 637 M HA 0.518 4.925 4.480 -0.121 0.000 0.251 637 M C 1.018 177.333 176.300 0.025 0.000 1.200 637 M CA 0.876 56.180 55.300 0.008 0.000 0.967 637 M CB 0.507 33.103 32.600 -0.006 0.000 1.362 637 M HN 1.047 nan 8.290 nan 0.000 0.522 638 G N 0.614 109.419 108.800 0.009 0.000 2.709 638 G HA2 -0.116 3.772 3.960 -0.121 0.000 0.228 638 G HA3 -0.116 3.772 3.960 -0.121 0.000 0.228 638 G C -0.795 174.097 174.900 -0.013 0.000 1.215 638 G CA 0.073 45.174 45.100 0.002 0.000 1.003 638 G HN 0.907 nan 8.290 nan 0.000 0.584 639 E N -1.065 119.119 120.200 -0.027 0.000 2.430 639 E HA 0.639 4.917 4.350 -0.121 0.000 0.279 639 E C -0.651 175.882 176.600 -0.112 0.000 1.003 639 E CA -0.560 55.801 56.400 -0.064 0.000 0.801 639 E CB 2.281 31.951 29.700 -0.050 0.000 1.313 639 E HN 1.687 nan 8.360 nan 0.000 0.459 640 V N -2.317 117.496 119.914 -0.169 0.000 3.074 640 V HA 0.738 4.785 4.120 -0.121 0.000 0.314 640 V C -0.454 175.558 176.094 -0.138 0.000 1.117 640 V CA -0.714 61.452 62.300 -0.222 0.000 1.014 640 V CB 1.758 33.330 31.823 -0.420 0.000 1.057 640 V HN 0.730 nan 8.190 nan 0.000 0.438 641 T N 2.490 116.976 114.554 -0.113 0.000 2.779 641 T HA 0.765 5.042 4.350 -0.121 0.000 0.280 641 T C 0.368 175.028 174.700 -0.067 0.000 0.987 641 T CA 0.381 62.437 62.100 -0.073 0.000 0.966 641 T CB 1.248 70.085 68.868 -0.051 0.000 0.933 641 T HN 1.337 nan 8.240 nan 0.000 0.442 642 A N 2.486 125.273 122.820 -0.055 0.000 2.262 642 A HA 0.304 4.551 4.320 -0.121 0.000 0.273 642 A C 1.565 179.128 177.584 -0.034 0.000 1.202 642 A CA -0.116 51.894 52.037 -0.045 0.000 0.811 642 A CB 0.007 18.985 19.000 -0.037 0.000 1.159 642 A HN 0.882 nan 8.150 nan 0.000 0.505 643 D N -0.627 119.756 120.400 -0.028 0.000 2.264 643 D HA -0.151 4.417 4.640 -0.121 0.000 0.208 643 D C 0.510 176.797 176.300 -0.021 0.000 0.966 643 D CA 1.390 55.376 54.000 -0.023 0.000 0.864 643 D CB -0.233 40.554 40.800 -0.021 0.000 0.933 643 D HN 0.571 nan 8.370 nan 0.000 0.499 644 D N -1.358 119.029 120.400 -0.021 0.000 2.388 644 D HA 0.209 4.776 4.640 -0.121 0.000 0.221 644 D C 1.519 177.808 176.300 -0.018 0.000 1.133 644 D CA 0.230 54.219 54.000 -0.018 0.000 0.831 644 D CB -0.089 40.700 40.800 -0.017 0.000 0.962 644 D HN 0.320 nan 8.370 nan 0.000 0.502 645 G N 0.325 109.113 108.800 -0.021 0.000 2.176 645 G HA2 -0.272 3.616 3.960 -0.121 0.000 0.253 645 G HA3 -0.272 3.616 3.960 -0.121 0.000 0.253 645 G C 0.399 175.286 174.900 -0.022 0.000 0.979 645 G CA 0.305 45.392 45.100 -0.021 0.000 0.641 645 G HN 0.429 nan 8.290 nan 0.000 0.530 646 T N 1.320 115.860 114.554 -0.024 0.000 2.853 646 T HA 0.429 4.707 4.350 -0.121 0.000 0.298 646 T C 0.653 175.334 174.700 -0.031 0.000 0.978 646 T CA 0.010 62.096 62.100 -0.023 0.000 1.152 646 T CB 2.199 71.054 68.868 -0.021 0.000 0.914 646 T HN 0.470 nan 8.240 nan 0.000 0.539 647 V N 5.721 125.617 119.914 -0.029 0.000 2.432 647 V HA 0.269 4.317 4.120 -0.121 0.000 0.271 647 V C 0.236 176.308 176.094 -0.037 0.000 1.046 647 V CA -0.545 61.734 62.300 -0.036 0.000 0.945 647 V CB 0.464 32.270 31.823 -0.030 0.000 0.992 647 V HN 0.685 nan 8.190 nan 0.000 0.471 648 L N 8.079 129.270 121.223 -0.053 0.000 2.276 648 L HA 0.445 4.713 4.340 -0.121 0.000 0.286 648 L C -2.307 174.531 176.870 -0.054 0.000 1.024 648 L CA -1.844 52.965 54.840 -0.051 0.000 0.826 648 L CB 1.648 43.668 42.059 -0.066 0.000 1.211 648 L HN 0.414 nan 8.230 nan 0.000 0.422 649 P HA 0.159 nan 4.420 nan 0.000 0.271 649 P C -0.386 176.901 177.300 -0.023 0.000 1.226 649 P CA 0.038 63.123 63.100 -0.025 0.000 0.765 649 P CB 0.877 32.570 31.700 -0.012 0.000 0.835 650 I N 2.798 123.354 120.570 -0.023 0.000 2.371 650 I HA 0.150 4.247 4.170 -0.121 0.000 0.290 650 I C 1.667 177.782 176.117 -0.004 0.000 1.028 650 I CA -0.148 61.145 61.300 -0.012 0.000 1.345 650 I CB 1.161 39.160 38.000 -0.001 0.000 1.407 650 I HN 0.370 nan 8.210 nan 0.000 0.501 651 A N 5.322 128.144 122.820 0.003 0.000 1.930 651 A HA 0.552 4.799 4.320 -0.121 0.000 0.215 651 A C 0.990 178.579 177.584 0.008 0.000 1.176 651 A CA 1.277 53.320 52.037 0.010 0.000 0.632 651 A CB -0.019 18.995 19.000 0.023 0.000 0.819 651 A HN 0.805 nan 8.150 nan 0.000 0.445 652 A N -2.110 120.709 122.820 -0.003 0.000 2.566 652 A HA 0.574 4.821 4.320 -0.121 0.000 0.290 652 A C 0.007 177.551 177.584 -0.068 0.000 1.071 652 A CA 0.101 52.133 52.037 -0.009 0.000 0.658 652 A CB -0.228 18.791 19.000 0.031 0.000 1.285 652 A HN 0.778 nan 8.150 nan 0.000 0.427 653 T N -1.750 112.753 114.554 -0.086 0.000 2.810 653 T HA 0.550 4.827 4.350 -0.121 0.000 0.277 653 T C 0.837 175.475 174.700 -0.104 0.000 0.973 653 T CA 0.042 62.004 62.100 -0.229 0.000 0.949 653 T CB -0.030 68.729 68.868 -0.181 0.000 1.075 653 T HN 0.490 nan 8.240 nan 0.000 0.537 654 F N 0.690 120.659 119.950 0.033 0.000 2.095 654 F HA 0.069 4.523 4.527 -0.121 0.000 0.298 654 F C 2.980 178.905 175.800 0.208 0.000 1.104 654 F CA 1.255 59.326 58.000 0.118 0.000 1.232 654 F CB -1.618 37.423 39.000 0.069 0.000 0.987 654 F HN 0.740 nan 8.300 nan 0.000 0.475 655 A N 0.031 123.020 122.820 0.282 0.000 1.968 655 A HA 0.071 4.319 4.320 -0.121 0.000 0.217 655 A C 2.551 180.206 177.584 0.119 0.000 1.169 655 A CA 1.505 53.647 52.037 0.175 0.000 0.638 655 A CB -1.487 17.575 19.000 0.103 0.000 0.812 655 A HN 0.399 nan 8.150 nan 0.000 0.446 656 G N -0.968 107.887 108.800 0.091 0.000 2.448 656 G HA2 0.287 4.175 3.960 -0.121 0.000 0.218 656 G HA3 0.287 4.175 3.960 -0.121 0.000 0.218 656 G C 0.647 175.598 174.900 0.084 0.000 1.135 656 G CA 0.934 46.071 45.100 0.061 0.000 0.784 656 G HN 1.039 nan 8.290 nan 0.000 0.543 657 A N 1.259 124.166 122.820 0.145 0.000 2.978 657 A HA 0.673 4.921 4.320 -0.121 0.000 0.341 657 A C -2.478 175.255 177.584 0.248 0.000 1.105 657 A CA -1.241 50.894 52.037 0.163 0.000 0.819 657 A CB 1.212 20.310 19.000 0.162 0.000 1.080 657 A HN 0.129 nan 8.150 nan 0.000 0.476 658 P HA 0.012 nan 4.420 nan 0.000 0.270 658 P C 1.257 178.378 177.300 -0.299 0.000 1.227 658 P CA 0.401 63.436 63.100 -0.108 0.000 0.788 658 P CB 0.765 32.396 31.700 -0.115 0.000 0.926 659 S N 0.701 115.862 115.700 -0.897 0.000 2.419 659 S HA -0.147 4.250 4.470 -0.121 0.000 0.233 659 S C 1.943 176.386 174.600 -0.261 0.000 1.016 659 S CA 0.956 58.758 58.200 -0.663 0.000 0.974 659 S CB -1.362 61.354 63.200 -0.806 0.000 0.786 659 S HN 0.368 nan 8.310 nan 0.000 0.492 660 L N 1.937 123.012 121.223 -0.247 0.000 2.081 660 L HA -0.116 4.151 4.340 -0.121 0.000 0.212 660 L C 2.991 179.687 176.870 -0.290 0.000 1.080 660 L CA 1.710 56.408 54.840 -0.238 0.000 0.754 660 L CB -1.551 40.348 42.059 -0.266 0.000 0.893 660 L HN 0.622 nan 8.230 nan 0.000 0.433 661 T N -3.026 111.416 114.554 -0.187 0.000 3.148 661 T HA 0.175 4.452 4.350 -0.121 0.000 0.253 661 T C 0.410 175.178 174.700 0.114 0.000 1.134 661 T CA 0.245 62.307 62.100 -0.063 0.000 1.051 661 T CB -0.553 68.376 68.868 0.100 0.000 0.959 661 T HN 0.188 nan 8.240 nan 0.000 0.525 662 V N -2.822 117.132 119.914 0.067 0.000 3.113 662 V HA 0.572 4.619 4.120 -0.121 0.000 0.316 662 V C -0.158 175.981 176.094 0.075 0.000 1.125 662 V CA -0.985 61.386 62.300 0.117 0.000 1.026 662 V CB 2.170 34.081 31.823 0.146 0.000 1.080 662 V HN 0.001 nan 8.190 nan 0.000 0.444 663 D N 0.896 121.347 120.400 0.085 0.000 2.366 663 D HA 0.503 5.071 4.640 -0.121 0.000 0.205 663 D C 0.522 176.818 176.300 -0.007 0.000 1.022 663 D CA 1.399 55.430 54.000 0.051 0.000 0.868 663 D CB 1.549 42.403 40.800 0.090 0.000 0.953 663 D HN 0.985 nan 8.370 nan 0.000 0.514 664 A N 0.205 123.032 122.820 0.012 0.000 2.608 664 A HA 0.521 4.769 4.320 -0.121 0.000 0.292 664 A C -1.555 176.046 177.584 0.028 0.000 1.066 664 A CA -0.539 51.490 52.037 -0.014 0.000 0.676 664 A CB 1.526 20.507 19.000 -0.031 0.000 1.277 664 A HN -0.103 nan 8.150 nan 0.000 0.413 665 V N 1.419 121.341 119.914 0.014 0.000 2.588 665 V HA 0.582 4.630 4.120 -0.121 0.000 0.304 665 V C -0.653 175.443 176.094 0.003 0.000 1.042 665 V CA -0.218 62.101 62.300 0.033 0.000 0.877 665 V CB 1.524 33.384 31.823 0.062 0.000 0.996 665 V HN 0.696 nan 8.190 nan 0.000 0.425 666 I N 4.403 124.982 120.570 0.015 0.000 2.465 666 I HA 0.543 4.641 4.170 -0.121 0.000 0.291 666 I C -0.878 175.268 176.117 0.049 0.000 1.014 666 I CA -0.894 60.441 61.300 0.058 0.000 1.093 666 I CB 2.321 40.383 38.000 0.104 0.000 1.267 666 I HN 0.288 nan 8.210 nan 0.000 0.431 667 V N 7.594 127.558 119.914 0.082 0.000 2.326 667 V HA 0.366 4.414 4.120 -0.121 0.000 0.281 667 V C -2.190 173.969 176.094 0.108 0.000 1.015 667 V CA -1.615 60.725 62.300 0.066 0.000 0.823 667 V CB 1.147 32.994 31.823 0.041 0.000 1.009 667 V HN 0.536 nan 8.190 nan 0.000 0.436 668 P HA 0.263 nan 4.420 nan 0.000 0.276 668 P C 0.091 177.410 177.300 0.031 0.000 1.261 668 P CA -0.348 62.771 63.100 0.031 0.000 0.800 668 P CB 1.074 32.784 31.700 0.016 0.000 1.066 669 C N -0.343 118.951 119.300 -0.010 0.000 2.574 669 C HA 0.791 5.179 4.460 -0.121 0.000 0.335 669 C C 1.201 176.194 174.990 0.005 0.000 1.493 669 C CA 1.374 60.390 59.018 -0.002 0.000 2.217 669 C CB -0.483 27.237 27.740 -0.033 0.000 2.056 669 C HN 0.913 nan 8.230 nan 0.000 0.607 670 G N 1.634 110.436 108.800 0.004 0.000 2.295 670 G HA2 0.026 3.914 3.960 -0.121 0.000 0.155 670 G HA3 0.026 3.914 3.960 -0.121 0.000 0.155 670 G C -1.030 173.878 174.900 0.012 0.000 1.307 670 G CA 0.077 45.180 45.100 0.005 0.000 1.140 670 G HN 0.987 nan 8.290 nan 0.000 0.470 671 N N 1.791 120.505 118.700 0.024 0.000 2.868 671 N HA 0.286 4.954 4.740 -0.121 0.000 0.252 671 N C 1.587 177.125 175.510 0.046 0.000 1.130 671 N CA -0.587 52.478 53.050 0.026 0.000 1.026 671 N CB -0.098 38.406 38.487 0.029 0.000 1.335 671 N HN 0.381 nan 8.380 nan 0.000 0.516 672 I N 1.349 121.934 120.570 0.026 0.000 2.567 672 I HA -0.183 3.915 4.170 -0.121 0.000 0.257 672 I C 1.998 178.113 176.117 -0.004 0.000 1.184 672 I CA 0.628 61.941 61.300 0.021 0.000 1.451 672 I CB -1.577 36.395 38.000 -0.048 0.000 1.089 672 I HN 0.513 nan 8.210 nan 0.000 0.441 673 A N 0.666 123.480 122.820 -0.010 0.000 2.019 673 A HA -0.263 3.985 4.320 -0.121 0.000 0.219 673 A C 2.108 179.710 177.584 0.029 0.000 1.164 673 A CA 1.940 53.970 52.037 -0.012 0.000 0.644 673 A CB -0.635 18.359 19.000 -0.009 0.000 0.805 673 A HN 0.403 nan 8.150 nan 0.000 0.449 674 D N 0.468 120.910 120.400 0.070 0.000 2.123 674 D HA -0.157 4.411 4.640 -0.121 0.000 0.196 674 D C 1.554 177.934 176.300 0.134 0.000 0.992 674 D CA 1.815 55.884 54.000 0.115 0.000 0.833 674 D CB -0.189 40.717 40.800 0.176 0.000 0.954 674 D HN 0.648 nan 8.370 nan 0.000 0.455 675 I N -3.891 116.775 120.570 0.160 0.000 4.154 675 I HA 0.478 4.575 4.170 -0.121 0.000 0.334 675 I C 1.830 178.074 176.117 0.211 0.000 1.371 675 I CA -0.085 61.332 61.300 0.196 0.000 1.110 675 I CB 0.189 38.347 38.000 0.264 0.000 1.085 675 I HN -0.103 nan 8.210 nan 0.000 0.398 676 A N 1.341 124.201 122.820 0.067 0.000 2.024 676 A HA -0.163 4.084 4.320 -0.121 0.000 0.220 676 A C 1.741 179.325 177.584 -0.000 0.000 1.164 676 A CA 1.928 53.899 52.037 -0.110 0.000 0.643 676 A CB -0.460 18.390 19.000 -0.250 0.000 0.806 676 A HN 0.530 nan 8.150 nan 0.000 0.451 677 D N -0.785 119.634 120.400 0.033 0.000 2.395 677 D HA 0.012 4.580 4.640 -0.121 0.000 0.213 677 D C -0.079 176.255 176.300 0.056 0.000 1.110 677 D CA -0.180 53.841 54.000 0.035 0.000 0.835 677 D CB -0.079 40.730 40.800 0.015 0.000 0.965 677 D HN 0.326 nan 8.370 nan 0.000 0.505 678 N N 1.087 119.836 118.700 0.081 0.000 2.420 678 N HA 0.006 4.674 4.740 -0.121 0.000 0.262 678 N C 1.317 176.862 175.510 0.058 0.000 1.144 678 N CA 0.065 53.157 53.050 0.071 0.000 0.952 678 N CB 1.542 40.083 38.487 0.089 0.000 1.081 678 N HN -0.013 nan 8.380 nan 0.000 0.480 679 G N 3.436 112.270 108.800 0.056 0.000 2.440 679 G HA2 -0.265 3.623 3.960 -0.121 0.000 0.218 679 G HA3 -0.265 3.623 3.960 -0.121 0.000 0.218 679 G C 1.010 175.954 174.900 0.073 0.000 1.154 679 G CA 0.546 45.680 45.100 0.056 0.000 0.767 679 G HN 0.592 nan 8.290 nan 0.000 0.552 680 D N 0.810 121.260 120.400 0.084 0.000 2.117 680 D HA -0.008 4.560 4.640 -0.121 0.000 0.197 680 D C 2.818 179.094 176.300 -0.040 0.000 0.987 680 D CA 1.187 55.264 54.000 0.128 0.000 0.829 680 D CB -0.411 40.536 40.800 0.244 0.000 0.961 680 D HN 0.295 nan 8.370 nan 0.000 0.460 681 A N 0.931 123.574 122.820 -0.295 0.000 1.877 681 A HA -0.187 4.060 4.320 -0.121 0.000 0.216 681 A C 2.046 179.395 177.584 -0.391 0.000 1.186 681 A CA 1.276 52.913 52.037 -0.667 0.000 0.620 681 A CB -0.501 18.133 19.000 -0.611 0.000 0.822 681 A HN 0.158 nan 8.150 nan 0.000 0.443 682 N N -1.506 117.109 118.700 -0.141 0.000 2.084 682 N HA -0.186 4.481 4.740 -0.121 0.000 0.190 682 N C 1.720 177.205 175.510 -0.042 0.000 1.030 682 N CA 1.812 54.833 53.050 -0.048 0.000 0.849 682 N CB -0.448 38.097 38.487 0.097 0.000 1.012 682 N HN 0.605 nan 8.380 nan 0.000 0.423 683 Y N 0.999 121.254 120.300 -0.075 0.000 2.181 683 Y HA -0.249 4.228 4.550 -0.121 0.000 0.288 683 Y C 2.291 178.141 175.900 -0.084 0.000 1.146 683 Y CA 1.245 59.303 58.100 -0.071 0.000 1.164 683 Y CB -0.837 37.592 38.460 -0.052 0.000 0.982 683 Y HN 0.062 nan 8.280 nan 0.000 0.515 684 Y N 0.145 120.284 120.300 -0.268 0.000 2.139 684 Y HA -0.345 4.133 4.550 -0.121 0.000 0.282 684 Y C 2.189 177.868 175.900 -0.368 0.000 1.179 684 Y CA 2.306 60.218 58.100 -0.313 0.000 1.161 684 Y CB -0.474 37.809 38.460 -0.294 0.000 0.970 684 Y HN 0.159 nan 8.280 nan 0.000 0.511 685 L N -1.346 119.781 121.223 -0.160 0.000 2.131 685 L HA -0.211 4.056 4.340 -0.121 0.000 0.206 685 L C 2.361 179.104 176.870 -0.212 0.000 1.087 685 L CA 1.150 55.883 54.840 -0.178 0.000 0.767 685 L CB -0.474 41.433 42.059 -0.252 0.000 0.917 685 L HN 0.255 nan 8.230 nan 0.000 0.441 686 M N -0.458 118.966 119.600 -0.293 0.000 2.159 686 M HA -0.219 4.188 4.480 -0.121 0.000 0.263 686 M C 2.219 178.276 176.300 -0.405 0.000 1.063 686 M CA 1.702 56.835 55.300 -0.278 0.000 1.110 686 M CB -0.413 32.045 32.600 -0.236 0.000 1.374 686 M HN 0.228 nan 8.290 nan 0.000 0.411 687 E N 0.840 120.596 120.200 -0.740 0.000 2.028 687 E HA -0.184 4.093 4.350 -0.121 0.000 0.191 687 E C 2.066 178.302 176.600 -0.606 0.000 0.988 687 E CA 1.336 57.256 56.400 -0.800 0.000 0.799 687 E CB -0.024 29.138 29.700 -0.897 0.000 0.755 687 E HN 0.451 nan 8.360 nan 0.000 0.447 688 A N 0.343 122.922 122.820 -0.401 0.000 1.908 688 A HA -0.224 4.023 4.320 -0.121 0.000 0.218 688 A C 2.079 179.558 177.584 -0.175 0.000 1.181 688 A CA 1.645 53.544 52.037 -0.231 0.000 0.627 688 A CB -0.987 17.940 19.000 -0.122 0.000 0.818 688 A HN 0.586 nan 8.150 nan 0.000 0.445 689 Y N 0.500 120.642 120.300 -0.263 0.000 2.114 689 Y HA -0.207 4.271 4.550 -0.121 0.000 0.284 689 Y C 2.410 178.187 175.900 -0.206 0.000 1.143 689 Y CA 2.320 60.296 58.100 -0.206 0.000 1.135 689 Y CB -0.379 37.973 38.460 -0.180 0.000 0.980 689 Y HN 0.329 nan 8.280 nan 0.000 0.499 690 K N -0.569 119.713 120.400 -0.196 0.000 2.074 690 K HA -0.259 3.989 4.320 -0.121 0.000 0.209 690 K C 1.291 177.775 176.600 -0.193 0.000 1.048 690 K CA 2.204 58.346 56.287 -0.241 0.000 0.926 690 K CB -0.522 31.776 32.500 -0.337 0.000 0.713 690 K HN 0.599 nan 8.250 nan 0.000 0.444 691 H N 0.380 119.328 119.070 -0.204 0.000 2.566 691 H HA 0.146 4.630 4.556 -0.120 0.000 0.280 691 H C 0.075 175.236 175.328 -0.278 0.000 1.042 691 H CA 0.229 56.150 56.048 -0.210 0.000 1.168 691 H CB -0.010 29.624 29.762 -0.213 0.000 1.340 691 H HN 0.159 nan 8.280 nan 0.000 0.597 692 L N -0.230 120.844 121.223 -0.248 0.000 4.232 692 L HA -0.296 3.972 4.340 -0.121 0.000 0.415 692 L C -0.255 176.357 176.870 -0.429 0.000 1.168 692 L CA 0.670 55.274 54.840 -0.394 0.000 0.966 692 L CB -1.719 40.100 42.059 -0.399 0.000 2.052 692 L HN 0.320 nan 8.230 nan 0.000 0.887 693 K N 0.660 120.874 120.400 -0.311 0.000 2.174 693 K HA 0.447 4.694 4.320 -0.121 0.000 0.275 693 K C -2.126 174.342 176.600 -0.220 0.000 1.015 693 K CA -1.800 54.324 56.287 -0.272 0.000 0.933 693 K CB 0.600 32.994 32.500 -0.176 0.000 1.025 693 K HN -0.210 nan 8.250 nan 0.000 0.463 694 P HA 0.025 nan 4.420 nan 0.000 0.265 694 P C -0.790 176.444 177.300 -0.111 0.000 1.193 694 P CA 0.442 63.443 63.100 -0.165 0.000 0.765 694 P CB 0.446 32.050 31.700 -0.160 0.000 0.823 695 I N 1.933 122.450 120.570 -0.088 0.000 2.545 695 I HA 0.646 4.743 4.170 -0.121 0.000 0.292 695 I C -0.419 175.648 176.117 -0.083 0.000 1.040 695 I CA -0.751 60.516 61.300 -0.056 0.000 1.068 695 I CB 2.204 40.199 38.000 -0.008 0.000 1.251 695 I HN 0.264 nan 8.210 nan 0.000 0.424 696 A N 7.351 130.130 122.820 -0.068 0.000 2.359 696 A HA 0.840 5.087 4.320 -0.121 0.000 0.303 696 A C -1.232 176.441 177.584 0.148 0.000 1.066 696 A CA -0.421 51.547 52.037 -0.114 0.000 0.730 696 A CB 1.029 19.775 19.000 -0.424 0.000 1.211 696 A HN 0.644 nan 8.150 nan 0.000 0.439 697 L N 2.450 123.821 121.223 0.247 0.000 2.319 697 L HA 0.687 4.955 4.340 -0.121 0.000 0.281 697 L C 0.381 177.455 176.870 0.341 0.000 1.005 697 L CA -0.520 54.485 54.840 0.275 0.000 0.828 697 L CB 1.800 43.965 42.059 0.177 0.000 1.227 697 L HN 0.795 nan 8.230 nan 0.000 0.415 698 A N 2.426 125.355 122.820 0.181 0.000 2.312 698 A HA 0.812 5.059 4.320 -0.121 0.000 0.326 698 A C 0.806 178.375 177.584 -0.025 0.000 1.172 698 A CA 0.373 52.373 52.037 -0.062 0.000 0.821 698 A CB 1.062 19.852 19.000 -0.350 0.000 1.166 698 A HN 0.961 nan 8.150 nan 0.000 0.493 699 G N 1.811 110.582 108.800 -0.048 0.000 2.660 699 G HA2 -0.359 3.529 3.960 -0.121 0.000 0.321 699 G HA3 -0.359 3.529 3.960 -0.121 0.000 0.321 699 G C 0.492 175.387 174.900 -0.009 0.000 1.246 699 G CA 0.877 45.958 45.100 -0.033 0.000 1.000 699 G HN 0.726 nan 8.290 nan 0.000 0.550 700 D N 1.702 122.093 120.400 -0.015 0.000 2.378 700 D HA 0.262 4.829 4.640 -0.121 0.000 0.227 700 D C 2.449 178.737 176.300 -0.020 0.000 1.012 700 D CA 1.261 55.245 54.000 -0.026 0.000 0.905 700 D CB -0.542 40.233 40.800 -0.041 0.000 0.895 700 D HN 0.716 nan 8.370 nan 0.000 0.532 701 A N 0.692 123.540 122.820 0.046 0.000 2.070 701 A HA -0.159 4.088 4.320 -0.121 0.000 0.220 701 A C 2.079 179.762 177.584 0.164 0.000 1.159 701 A CA 0.661 52.794 52.037 0.160 0.000 0.656 701 A CB -0.344 18.776 19.000 0.200 0.000 0.800 701 A HN 0.120 nan 8.150 nan 0.000 0.453 702 R N -0.702 119.845 120.500 0.078 0.000 2.249 702 R HA -0.125 4.142 4.340 -0.121 0.000 0.230 702 R C 1.655 177.955 176.300 -0.000 0.000 1.121 702 R CA 1.219 57.353 56.100 0.056 0.000 0.997 702 R CB -0.141 30.181 30.300 0.037 0.000 0.867 702 R HN 0.240 nan 8.270 nan 0.000 0.465 703 K N -0.084 120.263 120.400 -0.088 0.000 2.211 703 K HA -0.119 4.129 4.320 -0.121 0.000 0.204 703 K C 1.163 177.641 176.600 -0.205 0.000 1.047 703 K CA 1.262 57.436 56.287 -0.189 0.000 0.935 703 K CB -0.203 32.087 32.500 -0.350 0.000 0.728 703 K HN 0.086 nan 8.250 nan 0.000 0.452 704 F N 0.894 120.820 119.950 -0.041 0.000 2.699 704 F HA -0.019 4.436 4.527 -0.120 0.000 0.298 704 F C 1.456 177.209 175.800 -0.079 0.000 1.154 704 F CA 0.724 58.688 58.000 -0.060 0.000 1.457 704 F CB -0.132 38.832 39.000 -0.061 0.000 1.106 704 F HN -0.033 nan 8.300 nan 0.000 0.585 705 K N -0.042 120.405 120.400 0.077 0.000 2.209 705 K HA -0.110 4.137 4.320 -0.121 0.000 0.204 705 K C 2.246 178.825 176.600 -0.034 0.000 1.048 705 K CA 1.058 57.346 56.287 0.002 0.000 0.940 705 K CB -0.290 32.206 32.500 -0.006 0.000 0.729 705 K HN 0.245 nan 8.250 nan 0.000 0.451 706 A N 1.170 123.975 122.820 -0.025 0.000 2.016 706 A HA -0.103 4.145 4.320 -0.121 0.000 0.217 706 A C 2.195 179.759 177.584 -0.034 0.000 1.162 706 A CA 1.646 53.661 52.037 -0.037 0.000 0.662 706 A CB -0.729 18.247 19.000 -0.039 0.000 0.812 706 A HN 0.417 nan 8.150 nan 0.000 0.450 707 T N -0.210 114.346 114.554 0.005 0.000 2.867 707 T HA -0.054 4.224 4.350 -0.121 0.000 0.268 707 T C 1.379 176.022 174.700 -0.095 0.000 1.057 707 T CA 1.267 63.365 62.100 -0.003 0.000 1.136 707 T CB -0.689 68.201 68.868 0.037 0.000 0.874 707 T HN 0.670 nan 8.240 nan 0.000 0.466 708 I N -1.831 118.634 120.570 -0.175 0.000 3.864 708 I HA 0.510 4.607 4.170 -0.121 0.000 0.326 708 I C -0.170 175.725 176.117 -0.370 0.000 1.444 708 I CA -0.841 60.221 61.300 -0.396 0.000 1.195 708 I CB -0.480 37.085 38.000 -0.726 0.000 1.124 708 I HN -0.093 nan 8.210 nan 0.000 0.407 709 K N 1.831 122.121 120.400 -0.183 0.000 3.177 709 K HA -0.108 4.139 4.320 -0.121 0.000 0.266 709 K C -0.475 176.058 176.600 -0.112 0.000 0.937 709 K CA 0.670 56.888 56.287 -0.115 0.000 0.702 709 K CB -1.626 30.824 32.500 -0.083 0.000 1.365 709 K HN 0.631 nan 8.250 nan 0.000 0.466 710 I N 0.718 121.219 120.570 -0.115 0.000 2.385 710 I HA 0.282 4.380 4.170 -0.121 0.000 0.294 710 I C 1.014 177.112 176.117 -0.031 0.000 0.988 710 I CA -0.808 60.448 61.300 -0.073 0.000 1.265 710 I CB 1.374 39.322 38.000 -0.087 0.000 1.388 710 I HN 0.344 nan 8.210 nan 0.000 0.480 711 A N 5.022 127.836 122.820 -0.010 0.000 2.555 711 A HA -0.029 4.218 4.320 -0.121 0.000 0.233 711 A C 1.121 178.703 177.584 -0.004 0.000 1.060 711 A CA 0.008 52.042 52.037 -0.004 0.000 0.759 711 A CB 0.070 19.072 19.000 0.004 0.000 0.995 711 A HN 0.848 nan 8.150 nan 0.000 0.506 712 D N 0.662 121.060 120.400 -0.004 0.000 2.123 712 D HA -0.204 4.363 4.640 -0.121 0.000 0.196 712 D C 1.982 178.283 176.300 0.002 0.000 0.992 712 D CA 2.112 56.111 54.000 -0.003 0.000 0.833 712 D CB 0.018 40.816 40.800 -0.004 0.000 0.954 712 D HN 0.891 nan 8.370 nan 0.000 0.455 713 Q N 0.349 120.151 119.800 0.004 0.000 2.472 713 Q HA 0.218 4.485 4.340 -0.121 0.000 0.208 713 Q C 0.852 176.857 176.000 0.008 0.000 0.958 713 Q CA 0.655 56.462 55.803 0.006 0.000 0.932 713 Q CB 0.319 29.061 28.738 0.006 0.000 1.007 713 Q HN 0.100 nan 8.270 nan 0.000 0.508 714 G N 1.173 109.978 108.800 0.008 0.000 2.603 714 G HA2 -0.108 3.780 3.960 -0.121 0.000 0.686 714 G HA3 -0.108 3.780 3.960 -0.121 0.000 0.686 714 G C -1.370 173.536 174.900 0.011 0.000 1.286 714 G CA -0.372 44.734 45.100 0.010 0.000 0.871 714 G HN 0.548 nan 8.290 nan 0.000 0.568 715 E N -0.749 119.457 120.200 0.011 0.000 2.375 715 E HA 0.556 4.833 4.350 -0.121 0.000 0.280 715 E C -0.758 175.840 176.600 -0.002 0.000 0.972 715 E CA -1.110 55.298 56.400 0.013 0.000 0.782 715 E CB 1.525 31.246 29.700 0.034 0.000 1.229 715 E HN 0.398 nan 8.360 nan 0.000 0.439 716 E N 0.903 121.095 120.200 -0.014 0.000 2.465 716 E HA 0.186 4.463 4.350 -0.121 0.000 0.260 716 E C 0.906 177.470 176.600 -0.060 0.000 0.980 716 E CA 1.778 58.155 56.400 -0.039 0.000 0.927 716 E CB 1.009 30.684 29.700 -0.041 0.000 0.934 716 E HN 0.944 nan 8.360 nan 0.000 0.459 717 G N 2.987 111.736 108.800 -0.084 0.000 2.232 717 G HA2 -0.205 3.683 3.960 -0.121 0.000 0.226 717 G HA3 -0.205 3.683 3.960 -0.121 0.000 0.226 717 G C 0.193 175.045 174.900 -0.081 0.000 0.996 717 G CA -0.287 44.744 45.100 -0.114 0.000 0.626 717 G HN 0.424 nan 8.290 nan 0.000 0.509 718 I N 2.249 122.791 120.570 -0.046 0.000 2.355 718 I HA 0.471 4.569 4.170 -0.121 0.000 0.288 718 I C 0.359 176.436 176.117 -0.067 0.000 0.999 718 I CA -0.877 60.403 61.300 -0.034 0.000 1.163 718 I CB 1.405 39.414 38.000 0.015 0.000 1.316 718 I HN -0.089 nan 8.210 nan 0.000 0.454 719 V N 7.346 127.181 119.914 -0.132 0.000 2.465 719 V HA 0.390 4.438 4.120 -0.121 0.000 0.279 719 V C 0.202 176.247 176.094 -0.082 0.000 1.045 719 V CA -0.447 61.726 62.300 -0.213 0.000 0.938 719 V CB 1.250 32.777 31.823 -0.494 0.000 0.986 719 V HN 0.862 nan 8.190 nan 0.000 0.467 720 E N 4.173 124.408 120.200 0.057 0.000 2.366 720 E HA 0.889 5.166 4.350 -0.121 0.000 0.278 720 E C -0.953 175.803 176.600 0.259 0.000 0.923 720 E CA -0.961 55.566 56.400 0.212 0.000 0.761 720 E CB 2.620 32.387 29.700 0.112 0.000 1.231 720 E HN 0.827 nan 8.360 nan 0.000 0.443 721 A N 1.772 124.746 122.820 0.256 0.000 2.515 721 A HA 0.344 4.592 4.320 -0.121 0.000 0.292 721 A C -0.666 176.931 177.584 0.021 0.000 1.065 721 A CA -0.565 51.554 52.037 0.136 0.000 0.641 721 A CB 0.984 20.090 19.000 0.177 0.000 1.306 721 A HN 0.586 nan 8.150 nan 0.000 0.441 722 D N 0.438 120.830 120.400 -0.014 0.000 2.178 722 D HA 0.073 4.640 4.640 -0.121 0.000 0.202 722 D C 1.062 177.299 176.300 -0.104 0.000 0.974 722 D CA 2.261 56.235 54.000 -0.045 0.000 0.841 722 D CB 0.072 40.854 40.800 -0.030 0.000 0.953 722 D HN 0.793 nan 8.370 nan 0.000 0.478 723 S N -1.562 114.037 115.700 -0.168 0.000 2.618 723 S HA 0.678 5.075 4.470 -0.121 0.000 0.277 723 S C -0.603 173.685 174.600 -0.519 0.000 1.138 723 S CA -0.796 57.250 58.200 -0.258 0.000 0.844 723 S CB 2.132 65.235 63.200 -0.161 0.000 1.127 723 S HN -0.015 nan 8.310 nan 0.000 0.474 724 A N 1.587 124.039 122.820 -0.614 0.000 3.118 724 A HA 0.442 4.690 4.320 -0.121 0.000 0.256 724 A C 0.500 177.894 177.584 -0.318 0.000 1.667 724 A CA -0.213 51.265 52.037 -0.932 0.000 1.338 724 A CB -1.719 16.875 19.000 -0.675 0.000 1.127 724 A HN 0.884 nan 8.150 nan 0.000 0.634 725 D N 0.418 120.706 120.400 -0.187 0.000 2.018 725 D HA 0.262 4.830 4.640 -0.121 0.000 0.296 725 D C 1.613 177.937 176.300 0.039 0.000 1.100 725 D CA 0.626 54.601 54.000 -0.042 0.000 0.986 725 D CB -0.560 40.221 40.800 -0.031 0.000 1.127 725 D HN 0.091 nan 8.370 nan 0.000 0.421 726 G N -0.936 107.891 108.800 0.045 0.000 2.496 726 G HA2 -0.150 3.738 3.960 -0.121 0.000 0.214 726 G HA3 -0.150 3.738 3.960 -0.121 0.000 0.214 726 G C 1.617 176.566 174.900 0.081 0.000 1.234 726 G CA 1.455 46.586 45.100 0.053 0.000 0.807 726 G HN 0.557 nan 8.290 nan 0.000 0.543 727 S N -0.371 115.382 115.700 0.089 0.000 2.496 727 S HA 0.062 4.460 4.470 -0.121 0.000 0.224 727 S C 2.050 176.727 174.600 0.128 0.000 0.996 727 S CA 0.795 59.046 58.200 0.085 0.000 0.927 727 S CB -0.335 62.902 63.200 0.061 0.000 0.774 727 S HN 0.282 nan 8.310 nan 0.000 0.524 728 F N 2.569 122.518 119.950 -0.002 0.000 2.095 728 F HA -0.022 4.433 4.527 -0.121 0.000 0.298 728 F C 2.144 177.941 175.800 -0.004 0.000 1.104 728 F CA 1.648 59.646 58.000 -0.003 0.000 1.232 728 F CB -0.310 38.690 39.000 -0.001 0.000 0.987 728 F HN 0.155 nan 8.300 nan 0.000 0.475 729 M N 0.181 119.926 119.600 0.242 0.000 2.175 729 M HA -0.156 4.252 4.480 -0.121 0.000 0.264 729 M C 1.782 178.087 176.300 0.009 0.000 1.063 729 M CA 1.346 56.710 55.300 0.106 0.000 1.119 729 M CB -1.370 31.313 32.600 0.139 0.000 1.377 729 M HN 0.116 nan 8.290 nan 0.000 0.415 730 D N 0.495 120.907 120.400 0.020 0.000 2.117 730 D HA -0.135 4.432 4.640 -0.121 0.000 0.197 730 D C 1.992 178.272 176.300 -0.034 0.000 0.987 730 D CA 1.134 55.133 54.000 -0.002 0.000 0.829 730 D CB -0.098 40.708 40.800 0.011 0.000 0.961 730 D HN 0.470 nan 8.370 nan 0.000 0.460 731 E N 0.158 120.324 120.200 -0.057 0.000 2.106 731 E HA -0.112 4.166 4.350 -0.121 0.000 0.192 731 E C 2.087 178.605 176.600 -0.137 0.000 0.984 731 E CA 0.164 56.508 56.400 -0.093 0.000 0.806 731 E CB 0.007 29.637 29.700 -0.117 0.000 0.750 731 E HN 0.175 nan 8.360 nan 0.000 0.458 732 L N 1.042 122.152 121.223 -0.189 0.000 2.027 732 L HA -0.153 4.114 4.340 -0.121 0.000 0.206 732 L C 2.176 178.980 176.870 -0.110 0.000 1.074 732 L CA 1.536 56.260 54.840 -0.192 0.000 0.745 732 L CB -0.483 41.429 42.059 -0.244 0.000 0.898 732 L HN 0.234 nan 8.230 nan 0.000 0.433 733 L N -0.520 120.659 121.223 -0.073 0.000 2.131 733 L HA -0.210 4.058 4.340 -0.121 0.000 0.210 733 L C 2.429 179.277 176.870 -0.037 0.000 1.092 733 L CA 1.446 56.261 54.840 -0.043 0.000 0.759 733 L CB -0.680 41.364 42.059 -0.025 0.000 0.903 733 L HN 0.281 nan 8.230 nan 0.000 0.435 734 T N 0.044 114.571 114.554 -0.044 0.000 2.737 734 T HA -0.116 4.162 4.350 -0.121 0.000 0.265 734 T C 1.955 176.626 174.700 -0.048 0.000 1.038 734 T CA 1.073 63.153 62.100 -0.034 0.000 1.144 734 T CB -0.193 68.656 68.868 -0.032 0.000 0.866 734 T HN 0.190 nan 8.240 nan 0.000 0.434 735 L N 0.408 121.583 121.223 -0.080 0.000 2.042 735 L HA -0.102 4.166 4.340 -0.121 0.000 0.210 735 L C 2.676 179.487 176.870 -0.099 0.000 1.076 735 L CA 1.370 56.145 54.840 -0.110 0.000 0.749 735 L CB -0.615 41.357 42.059 -0.144 0.000 0.893 735 L HN 0.309 nan 8.230 nan 0.000 0.432 736 M N -0.697 118.862 119.600 -0.069 0.000 2.229 736 M HA -0.144 4.263 4.480 -0.121 0.000 0.264 736 M C 2.434 178.743 176.300 0.015 0.000 1.063 736 M CA 1.653 56.931 55.300 -0.036 0.000 1.114 736 M CB -0.494 32.093 32.600 -0.021 0.000 1.387 736 M HN 0.298 nan 8.290 nan 0.000 0.420 737 A N 0.276 123.105 122.820 0.014 0.000 2.067 737 A HA 0.115 4.363 4.320 -0.121 0.000 0.219 737 A C 2.136 179.769 177.584 0.083 0.000 1.158 737 A CA 1.566 53.631 52.037 0.047 0.000 0.661 737 A CB -0.584 18.437 19.000 0.035 0.000 0.801 737 A HN 0.486 nan 8.150 nan 0.000 0.452 738 A N -2.500 120.350 122.820 0.050 0.000 2.307 738 A HA 0.371 4.619 4.320 -0.121 0.000 0.218 738 A C 0.913 178.535 177.584 0.063 0.000 1.228 738 A CA 1.148 53.229 52.037 0.073 0.000 0.857 738 A CB -0.477 18.522 19.000 -0.002 0.000 0.897 738 A HN 0.909 nan 8.150 nan 0.000 0.495 739 H N -0.985 118.040 119.070 -0.074 0.000 4.884 739 H HA -0.196 4.288 4.556 -0.121 0.000 0.061 739 H C 0.034 175.154 175.328 -0.346 0.000 0.590 739 H CA 2.450 58.435 56.048 -0.106 0.000 0.961 739 H CB -0.575 29.240 29.762 0.087 0.000 0.443 739 H HN 0.476 nan 8.280 nan 0.000 0.794 740 R N -0.439 119.495 120.500 -0.945 0.000 2.774 740 R HA 0.601 4.869 4.340 -0.121 0.000 0.272 740 R C -0.678 174.731 176.300 -1.485 0.000 1.000 740 R CA -0.256 55.035 56.100 -1.349 0.000 0.906 740 R CB 1.787 30.993 30.300 -1.823 0.000 1.227 740 R HN 0.071 nan 8.270 nan 0.000 0.468 741 V N 2.179 121.471 119.914 -1.037 0.000 2.125 741 V HA 0.108 4.156 4.120 -0.121 0.000 0.263 741 V C 0.800 176.529 176.094 -0.609 0.000 1.365 741 V CA -0.510 61.372 62.300 -0.696 0.000 1.276 741 V CB -0.566 30.993 31.823 -0.440 0.000 1.350 741 V HN 0.727 nan 8.190 nan 0.000 0.487 742 W N 1.414 122.434 121.300 -0.466 0.000 2.341 742 W HA -0.219 4.368 4.660 -0.121 0.000 0.283 742 W C 2.518 178.825 176.519 -0.353 0.000 1.215 742 W CA 0.901 57.884 57.345 -0.602 0.000 1.211 742 W CB -0.490 28.242 29.460 -1.214 0.000 1.131 742 W HN 0.639 nan 8.180 nan 0.000 0.552 743 S N 0.724 116.382 115.700 -0.071 0.000 2.507 743 S HA -0.149 4.249 4.470 -0.121 0.000 0.235 743 S C 1.703 176.266 174.600 -0.062 0.000 0.988 743 S CA 0.924 59.100 58.200 -0.040 0.000 0.944 743 S CB -0.411 62.766 63.200 -0.039 0.000 0.762 743 S HN 0.431 nan 8.310 nan 0.000 0.526 744 R N 0.718 121.139 120.500 -0.131 0.000 2.275 744 R HA 0.233 4.501 4.340 -0.121 0.000 0.199 744 R C 1.706 177.941 176.300 -0.109 0.000 0.989 744 R CA 0.309 56.313 56.100 -0.159 0.000 1.016 744 R CB -0.405 29.700 30.300 -0.324 0.000 0.918 744 R HN 0.468 nan 8.270 nan 0.000 0.473 745 I N 1.900 122.445 120.570 -0.043 0.000 2.113 745 I HA -0.270 3.828 4.170 -0.121 0.000 0.242 745 I C -0.806 175.335 176.117 0.040 0.000 1.057 745 I CA 1.631 62.948 61.300 0.029 0.000 1.314 745 I CB -0.916 37.149 38.000 0.109 0.000 1.022 745 I HN 0.188 nan 8.210 nan 0.000 0.408 746 P HA -0.152 nan 4.420 nan 0.000 0.220 746 P C 0.982 178.309 177.300 0.046 0.000 1.148 746 P CA 1.441 64.569 63.100 0.047 0.000 0.803 746 P CB -0.048 31.677 31.700 0.043 0.000 0.782 747 K N -0.537 119.886 120.400 0.038 0.000 2.361 747 K HA 0.105 4.353 4.320 -0.121 0.000 0.196 747 K C 1.826 178.485 176.600 0.098 0.000 1.039 747 K CA 0.593 56.925 56.287 0.074 0.000 1.001 747 K CB -0.418 32.151 32.500 0.114 0.000 0.795 747 K HN 0.265 nan 8.250 nan 0.000 0.495 748 I N -1.167 119.432 120.570 0.047 0.000 2.928 748 I HA -0.034 4.064 4.170 -0.121 0.000 0.266 748 I C 1.707 177.868 176.117 0.073 0.000 1.234 748 I CA 1.026 62.359 61.300 0.056 0.000 1.483 748 I CB -0.219 37.761 38.000 -0.033 0.000 1.097 748 I HN -0.091 nan 8.210 nan 0.000 0.455 749 D N 1.781 122.225 120.400 0.072 0.000 2.172 749 D HA -0.230 4.338 4.640 -0.121 0.000 0.196 749 D C 2.037 178.379 176.300 0.069 0.000 0.999 749 D CA 1.452 55.496 54.000 0.074 0.000 0.856 749 D CB 0.131 40.974 40.800 0.071 0.000 0.934 749 D HN 0.159 nan 8.370 nan 0.000 0.453 750 K N -0.092 120.350 120.400 0.069 0.000 2.262 750 K HA 0.073 4.321 4.320 -0.121 0.000 0.200 750 K C 0.635 177.270 176.600 0.058 0.000 1.049 750 K CA -0.191 56.132 56.287 0.059 0.000 0.979 750 K CB -0.015 32.518 32.500 0.056 0.000 0.773 750 K HN 0.281 nan 8.250 nan 0.000 0.474 751 I N 4.901 125.515 120.570 0.073 0.000 2.533 751 I HA 0.020 4.117 4.170 -0.121 0.000 0.284 751 I C -2.080 174.071 176.117 0.058 0.000 1.109 751 I CA -1.748 59.590 61.300 0.065 0.000 1.412 751 I CB 0.957 39.016 38.000 0.098 0.000 1.396 751 I HN -0.067 nan 8.210 nan 0.000 0.543 752 P HA 0.336 nan 4.420 nan 0.000 0.260 752 P C -0.955 176.399 177.300 0.089 0.000 1.651 752 P CA -0.147 62.988 63.100 0.058 0.000 1.139 752 P CB 0.442 32.168 31.700 0.044 0.000 1.756 753 A N 0.000 122.880 122.820 0.101 0.000 2.254 753 A HA 0.000 4.247 4.320 -0.121 0.000 0.244 753 A CA 0.000 52.152 52.037 0.192 0.000 0.836 753 A CB 0.000 19.035 19.000 0.058 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486