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 1ggk_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGHNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.285 176.300 -0.025 0.000 2.045 27 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 27 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 28 S N -0.193 115.488 115.700 -0.030 0.000 2.474 28 S HA 0.441 4.958 4.470 0.078 0.000 0.320 28 S C 1.057 175.622 174.600 -0.058 0.000 1.067 28 S CA -0.683 57.490 58.200 -0.044 0.000 1.127 28 S CB -0.255 62.921 63.200 -0.040 0.000 0.971 28 S HN 0.361 nan 8.310 nan 0.000 0.472 29 L N 3.148 124.329 121.223 -0.071 0.000 2.416 29 L HA 0.322 4.709 4.340 0.078 0.000 0.216 29 L C 1.471 178.266 176.870 -0.125 0.000 1.098 29 L CA 0.005 54.799 54.840 -0.077 0.000 0.840 29 L CB -0.435 41.589 42.059 -0.058 0.000 0.981 29 L HN 0.617 nan 8.230 nan 0.000 0.462 30 A N 1.359 124.055 122.820 -0.207 0.000 2.386 30 A HA 0.384 4.751 4.320 0.078 0.000 0.248 30 A C -2.050 175.380 177.584 -0.256 0.000 1.082 30 A CA -0.963 50.832 52.037 -0.403 0.000 0.789 30 A CB -0.534 17.962 19.000 -0.840 0.000 1.025 30 A HN -0.025 nan 8.150 nan 0.000 0.490 31 P HA 0.122 nan 4.420 nan 0.000 0.271 31 P C 0.133 177.412 177.300 -0.035 0.000 1.218 31 P CA -0.047 63.011 63.100 -0.070 0.000 0.780 31 P CB 0.883 32.582 31.700 -0.002 0.000 0.901 32 E N 1.656 121.849 120.200 -0.011 0.000 2.152 32 E HA -0.174 4.222 4.350 0.078 0.000 0.192 32 E C 1.201 177.820 176.600 0.031 0.000 0.983 32 E CA 1.459 57.862 56.400 0.005 0.000 0.818 32 E CB -0.643 29.056 29.700 -0.001 0.000 0.758 32 E HN 0.508 nan 8.360 nan 0.000 0.467 33 D N -1.106 119.316 120.400 0.037 0.000 2.350 33 D HA -0.034 4.652 4.640 0.078 0.000 0.216 33 D C 1.312 177.658 176.300 0.076 0.000 0.968 33 D CA 1.055 55.082 54.000 0.046 0.000 0.894 33 D CB -0.545 40.278 40.800 0.038 0.000 0.909 33 D HN 0.255 nan 8.370 nan 0.000 0.520 34 G N 0.063 108.944 108.800 0.136 0.000 2.143 34 G HA2 -0.337 3.669 3.960 0.078 0.000 0.248 34 G HA3 -0.337 3.669 3.960 0.078 0.000 0.248 34 G C 0.941 175.950 174.900 0.181 0.000 0.991 34 G CA 0.876 46.107 45.100 0.219 0.000 0.689 34 G HN 0.754 nan 8.290 nan 0.000 0.522 35 S N 0.547 116.350 115.700 0.172 0.000 2.607 35 S HA 0.005 4.522 4.470 0.078 0.000 0.224 35 S C 1.949 176.626 174.600 0.128 0.000 0.969 35 S CA 0.997 59.258 58.200 0.101 0.000 0.927 35 S CB -0.523 62.718 63.200 0.068 0.000 0.772 35 S HN 0.908 nan 8.310 nan 0.000 0.533 36 H N 0.774 119.851 119.070 0.013 0.000 2.491 36 H HA 0.243 4.846 4.556 0.077 0.000 0.290 36 H C 0.802 176.143 175.328 0.021 0.000 1.050 36 H CA 0.491 56.548 56.048 0.015 0.000 1.309 36 H CB -0.398 29.372 29.762 0.014 0.000 1.392 36 H HN 0.326 nan 8.280 nan 0.000 0.554 37 R N 2.256 122.533 120.500 -0.372 0.000 2.407 37 R HA 0.370 4.756 4.340 0.078 0.000 0.303 37 R C -2.414 173.816 176.300 -0.117 0.000 0.981 37 R CA -1.958 53.967 56.100 -0.290 0.000 0.905 37 R CB 1.107 31.136 30.300 -0.452 0.000 1.099 37 R HN 0.163 nan 8.270 nan 0.000 0.459 38 P HA 0.252 nan 4.420 nan 0.000 0.281 38 P C -1.230 176.063 177.300 -0.012 0.000 1.249 38 P CA -0.649 62.444 63.100 -0.011 0.000 0.810 38 P CB 1.255 32.969 31.700 0.024 0.000 1.008 39 A N 1.818 124.638 122.820 0.000 0.000 2.477 39 A HA 0.430 4.796 4.320 0.078 0.000 0.246 39 A C 0.931 178.524 177.584 0.015 0.000 1.078 39 A CA -0.070 51.969 52.037 0.003 0.000 0.770 39 A CB -0.451 18.553 19.000 0.007 0.000 1.011 39 A HN 0.568 nan 8.150 nan 0.000 0.494 40 A N 3.198 126.026 122.820 0.014 0.000 3.074 40 A HA 0.472 4.839 4.320 0.078 0.000 0.251 40 A C 0.357 177.957 177.584 0.027 0.000 1.695 40 A CA 0.085 52.136 52.037 0.023 0.000 1.343 40 A CB -0.911 18.100 19.000 0.019 0.000 1.078 40 A HN 0.850 nan 8.150 nan 0.000 0.644 41 E N -0.725 119.492 120.200 0.029 0.000 2.412 41 E HA 0.491 4.888 4.350 0.078 0.000 0.279 41 E C -3.244 173.375 176.600 0.032 0.000 0.984 41 E CA -2.715 53.703 56.400 0.031 0.000 0.788 41 E CB 0.662 30.376 29.700 0.023 0.000 1.277 41 E HN 0.036 nan 8.360 nan 0.000 0.455 42 P HA 0.033 nan 4.420 nan 0.000 0.263 42 P C -0.675 176.632 177.300 0.011 0.000 1.195 42 P CA 0.375 63.486 63.100 0.019 0.000 0.762 42 P CB 0.384 32.086 31.700 0.002 0.000 0.799 43 T N 0.915 115.472 114.554 0.004 0.000 2.900 43 T HA 0.687 5.084 4.350 0.078 0.000 0.303 43 T C -3.056 171.613 174.700 -0.051 0.000 1.142 43 T CA -2.619 59.477 62.100 -0.007 0.000 1.007 43 T CB 1.759 70.629 68.868 0.002 0.000 1.156 43 T HN 0.016 nan 8.240 nan 0.000 0.490 44 P HA 0.434 nan 4.420 nan 0.000 0.276 44 P C -2.816 174.362 177.300 -0.204 0.000 1.244 44 P CA -1.913 61.033 63.100 -0.257 0.000 0.801 44 P CB -0.949 30.622 31.700 -0.215 0.000 1.006 45 P HA 0.032 nan 4.420 nan 0.000 0.261 45 P C 1.093 178.352 177.300 -0.067 0.000 1.183 45 P CA 1.634 64.650 63.100 -0.141 0.000 0.761 45 P CB -0.387 31.223 31.700 -0.149 0.000 0.785 46 G N 3.163 111.949 108.800 -0.023 0.000 2.253 46 G HA2 -0.372 3.635 3.960 0.078 0.000 0.251 46 G HA3 -0.372 3.635 3.960 0.078 0.000 0.251 46 G C 1.264 176.164 174.900 -0.001 0.000 0.998 46 G CA 0.553 45.651 45.100 -0.002 0.000 0.621 46 G HN 0.653 nan 8.290 nan 0.000 0.524 47 A N -0.039 122.775 122.820 -0.010 0.000 1.865 47 A HA 0.270 4.637 4.320 0.078 0.000 0.217 47 A C 1.434 179.022 177.584 0.007 0.000 1.191 47 A CA 2.374 54.410 52.037 -0.002 0.000 0.623 47 A CB -0.257 18.738 19.000 -0.008 0.000 0.826 47 A HN 1.133 nan 8.150 nan 0.000 0.444 48 Q N -1.557 118.251 119.800 0.013 0.000 2.544 48 Q HA 0.552 4.938 4.340 0.078 0.000 0.291 48 Q C -3.080 172.938 176.000 0.030 0.000 1.068 48 Q CA -2.521 53.294 55.803 0.020 0.000 0.785 48 Q CB 0.382 29.131 28.738 0.019 0.000 1.481 48 Q HN 0.031 nan 8.270 nan 0.000 0.430 49 P HA 0.009 nan 4.420 nan 0.000 0.268 49 P C -0.319 177.017 177.300 0.060 0.000 1.204 49 P CA 0.210 63.329 63.100 0.032 0.000 0.768 49 P CB 0.321 32.038 31.700 0.028 0.000 0.842 50 T N 0.086 114.679 114.554 0.065 0.000 2.860 50 T HA 0.598 4.995 4.350 0.078 0.000 0.299 50 T C 0.048 174.847 174.700 0.166 0.000 1.045 50 T CA -0.464 61.729 62.100 0.155 0.000 1.071 50 T CB 0.758 69.680 68.868 0.090 0.000 0.985 50 T HN 0.558 nan 8.240 nan 0.000 0.537 51 A N 1.672 124.675 122.820 0.305 0.000 2.602 51 A HA 0.780 5.147 4.320 0.078 0.000 0.290 51 A C -3.051 174.776 177.584 0.404 0.000 1.114 51 A CA -2.003 50.188 52.037 0.256 0.000 0.683 51 A CB 0.427 19.525 19.000 0.164 0.000 1.281 51 A HN 0.656 nan 8.150 nan 0.000 0.416 52 P HA 0.124 nan 4.420 nan 0.000 0.264 52 P C 1.200 178.641 177.300 0.235 0.000 1.183 52 P CA 0.988 64.280 63.100 0.320 0.000 0.763 52 P CB 0.554 32.376 31.700 0.203 0.000 0.807 53 G N 2.352 111.260 108.800 0.181 0.000 2.475 53 G HA2 -0.283 3.724 3.960 0.078 0.000 0.220 53 G HA3 -0.283 3.724 3.960 0.078 0.000 0.220 53 G C 1.467 176.389 174.900 0.036 0.000 1.125 53 G CA 1.071 46.199 45.100 0.047 0.000 0.755 53 G HN 0.589 nan 8.290 nan 0.000 0.565 54 S N -0.266 115.462 115.700 0.046 0.000 2.522 54 S HA 0.205 4.722 4.470 0.078 0.000 0.227 54 S C 2.149 176.771 174.600 0.037 0.000 0.986 54 S CA 0.386 58.599 58.200 0.021 0.000 0.929 54 S CB -0.100 63.103 63.200 0.005 0.000 0.769 54 S HN 0.310 nan 8.310 nan 0.000 0.529 55 L N 0.079 121.338 121.223 0.060 0.000 2.202 55 L HA 0.269 4.656 4.340 0.078 0.000 0.205 55 L C 2.647 179.548 176.870 0.052 0.000 1.083 55 L CA 0.884 55.757 54.840 0.056 0.000 0.790 55 L CB -0.328 41.771 42.059 0.067 0.000 0.942 55 L HN 0.253 nan 8.230 nan 0.000 0.452 56 K N 1.337 121.778 120.400 0.068 0.000 2.116 56 K HA 0.036 4.403 4.320 0.078 0.000 0.203 56 K C 0.697 177.325 176.600 0.047 0.000 1.052 56 K CA 1.263 57.589 56.287 0.066 0.000 0.952 56 K CB 0.160 32.718 32.500 0.095 0.000 0.729 56 K HN 0.147 nan 8.250 nan 0.000 0.446 57 A N 0.875 123.715 122.820 0.034 0.000 3.317 57 A HA 0.345 4.711 4.320 0.078 0.000 0.307 57 A C -2.209 175.382 177.584 0.011 0.000 1.003 57 A CA -0.946 51.108 52.037 0.028 0.000 0.882 57 A CB 0.640 19.659 19.000 0.032 0.000 1.136 57 A HN 0.181 nan 8.150 nan 0.000 0.488 58 P HA -0.087 nan 4.420 nan 0.000 0.230 58 P C -0.020 177.276 177.300 -0.006 0.000 1.158 58 P CA 1.000 64.101 63.100 0.002 0.000 0.769 58 P CB 0.336 32.041 31.700 0.008 0.000 0.807 59 D N -0.975 119.425 120.400 0.000 0.000 2.360 59 D HA 0.021 4.707 4.640 0.078 0.000 0.210 59 D C 0.431 176.722 176.300 -0.015 0.000 1.047 59 D CA 0.403 54.400 54.000 -0.005 0.000 0.854 59 D CB -0.245 40.557 40.800 0.003 0.000 0.936 59 D HN 0.101 nan 8.370 nan 0.000 0.514 60 T N 2.798 117.342 114.554 -0.016 0.000 2.870 60 T HA 0.269 4.666 4.350 0.078 0.000 0.300 60 T C 0.583 175.245 174.700 -0.064 0.000 0.989 60 T CA -0.083 61.995 62.100 -0.038 0.000 1.139 60 T CB 1.085 69.929 68.868 -0.041 0.000 0.920 60 T HN 0.172 nan 8.240 nan 0.000 0.537 61 R N 1.944 122.397 120.500 -0.078 0.000 2.728 61 R HA 0.460 4.846 4.340 0.078 0.000 0.274 61 R C -1.750 174.494 176.300 -0.094 0.000 1.030 61 R CA -0.862 55.184 56.100 -0.090 0.000 0.876 61 R CB 0.969 31.222 30.300 -0.079 0.000 1.259 61 R HN 0.740 nan 8.270 nan 0.000 0.468 62 N N -1.626 117.020 118.700 -0.091 0.000 3.243 62 N HA 0.140 4.927 4.740 0.078 0.000 0.280 62 N C -0.047 175.418 175.510 -0.076 0.000 1.545 62 N CA -0.551 52.455 53.050 -0.072 0.000 0.854 62 N CB 0.504 38.977 38.487 -0.023 0.000 1.612 62 N HN 0.698 nan 8.380 nan 0.000 0.577 63 E N -0.629 119.538 120.200 -0.056 0.000 2.208 63 E HA -0.157 4.239 4.350 0.078 0.000 0.193 63 E C 0.942 177.469 176.600 -0.122 0.000 0.988 63 E CA 1.030 57.391 56.400 -0.064 0.000 0.828 63 E CB 0.124 29.810 29.700 -0.023 0.000 0.763 63 E HN 0.466 nan 8.360 nan 0.000 0.478 64 K N 0.783 121.074 120.400 -0.182 0.000 2.031 64 K HA -0.056 4.310 4.320 0.078 0.000 0.205 64 K C 2.075 178.520 176.600 -0.257 0.000 1.049 64 K CA 1.030 57.121 56.287 -0.327 0.000 0.939 64 K CB -0.382 31.779 32.500 -0.565 0.000 0.717 64 K HN 0.134 nan 8.250 nan 0.000 0.438 65 L N 0.965 122.048 121.223 -0.233 0.000 2.083 65 L HA -0.169 4.218 4.340 0.078 0.000 0.209 65 L C 1.767 178.536 176.870 -0.168 0.000 1.083 65 L CA 1.119 55.809 54.840 -0.251 0.000 0.752 65 L CB -0.549 41.341 42.059 -0.282 0.000 0.899 65 L HN 0.223 nan 8.230 nan 0.000 0.433 66 N N -0.447 118.174 118.700 -0.131 0.000 2.188 66 N HA -0.145 4.641 4.740 0.078 0.000 0.184 66 N C 2.030 177.487 175.510 -0.088 0.000 1.018 66 N CA 1.575 54.569 53.050 -0.094 0.000 0.858 66 N CB -0.341 38.101 38.487 -0.074 0.000 0.989 66 N HN 0.342 nan 8.380 nan 0.000 0.426 67 S N -0.012 115.625 115.700 -0.104 0.000 2.561 67 S HA 0.106 4.623 4.470 0.078 0.000 0.225 67 S C 1.636 176.180 174.600 -0.093 0.000 0.977 67 S CA 0.118 58.264 58.200 -0.091 0.000 0.926 67 S CB -0.326 62.817 63.200 -0.095 0.000 0.769 67 S HN 0.217 nan 8.310 nan 0.000 0.533 68 L N 0.700 121.857 121.223 -0.111 0.000 2.554 68 L HA 0.209 4.596 4.340 0.078 0.000 0.226 68 L C 2.569 179.398 176.870 -0.068 0.000 1.137 68 L CA 0.579 55.361 54.840 -0.096 0.000 0.863 68 L CB -0.337 41.652 42.059 -0.117 0.000 0.985 68 L HN 0.314 nan 8.230 nan 0.000 0.451 69 E N 1.072 121.235 120.200 -0.062 0.000 2.204 69 E HA -0.256 4.141 4.350 0.078 0.000 0.195 69 E C 1.701 178.283 176.600 -0.031 0.000 0.990 69 E CA 1.417 57.791 56.400 -0.042 0.000 0.821 69 E CB -0.028 29.649 29.700 -0.040 0.000 0.750 69 E HN 0.545 nan 8.360 nan 0.000 0.477 70 D N -0.492 119.888 120.400 -0.033 0.000 2.264 70 D HA -0.134 4.553 4.640 0.078 0.000 0.208 70 D C 1.574 177.860 176.300 -0.022 0.000 0.966 70 D CA 1.506 55.490 54.000 -0.025 0.000 0.864 70 D CB -0.192 40.592 40.800 -0.025 0.000 0.933 70 D HN 0.292 nan 8.370 nan 0.000 0.499 71 V N -3.249 116.650 119.914 -0.025 0.000 3.643 71 V HA 0.333 4.500 4.120 0.078 0.000 0.280 71 V C 0.932 177.019 176.094 -0.012 0.000 1.351 71 V CA -0.668 61.622 62.300 -0.017 0.000 1.073 71 V CB -0.531 31.282 31.823 -0.016 0.000 0.863 71 V HN -0.150 nan 8.190 nan 0.000 0.436 72 R N 2.172 122.664 120.500 -0.013 0.000 2.543 72 R HA 0.426 4.812 4.340 0.078 0.000 0.277 72 R C -0.508 175.788 176.300 -0.008 0.000 1.074 72 R CA -0.033 56.065 56.100 -0.003 0.000 1.076 72 R CB 0.490 30.789 30.300 -0.002 0.000 0.993 72 R HN 0.253 nan 8.270 nan 0.000 0.459 73 K N 1.236 121.633 120.400 -0.005 0.000 2.324 73 K HA 0.347 4.714 4.320 0.078 0.000 0.253 73 K C 0.197 176.795 176.600 -0.003 0.000 0.932 73 K CA -0.563 55.706 56.287 -0.031 0.000 0.799 73 K CB 2.265 34.731 32.500 -0.056 0.000 1.154 73 K HN 0.776 nan 8.250 nan 0.000 0.425 74 G N 0.260 109.061 108.800 0.002 0.000 2.666 74 G HA2 0.339 4.346 3.960 0.078 0.000 0.207 74 G HA3 0.339 4.346 3.960 0.078 0.000 0.207 74 G C 0.438 175.403 174.900 0.108 0.000 1.481 74 G CA 0.494 45.651 45.100 0.095 0.000 1.071 74 G HN 0.629 nan 8.290 nan 0.000 0.572 75 S N -2.848 113.021 115.700 0.281 0.000 1.962 75 S HA 0.046 4.562 4.470 0.078 0.000 0.193 75 S C 0.170 174.968 174.600 0.330 0.000 0.756 75 S CA -0.083 58.296 58.200 0.297 0.000 1.439 75 S CB -0.163 63.121 63.200 0.139 0.000 0.887 75 S HN 0.483 nan 8.310 nan 0.000 0.347 76 E N 2.890 123.203 120.200 0.189 0.000 2.452 76 E HA 0.271 4.668 4.350 0.078 0.000 0.261 76 E C -0.142 176.402 176.600 -0.093 0.000 0.987 76 E CA 0.359 56.796 56.400 0.061 0.000 0.926 76 E CB 0.065 29.785 29.700 0.033 0.000 0.934 76 E HN 0.409 nan 8.360 nan 0.000 0.452 77 N N 0.690 119.325 118.700 -0.108 0.000 2.909 77 N HA -0.217 4.569 4.740 0.078 0.000 0.242 77 N C -1.071 174.243 175.510 -0.327 0.000 0.975 77 N CA 1.119 54.036 53.050 -0.222 0.000 0.921 77 N CB -1.266 37.052 38.487 -0.281 0.000 1.112 77 N HN 0.377 nan 8.380 nan 0.000 0.581 78 Y N 0.692 120.999 120.300 0.012 0.000 2.376 78 Y HA 0.627 5.225 4.550 0.079 0.000 0.325 78 Y C 1.000 176.904 175.900 0.008 0.000 1.199 78 Y CA -0.383 57.723 58.100 0.010 0.000 1.206 78 Y CB 0.945 39.412 38.460 0.011 0.000 1.229 78 Y HN 0.107 nan 8.280 nan 0.000 0.480 79 A N 2.286 125.216 122.820 0.184 0.000 2.351 79 A HA 0.405 4.772 4.320 0.078 0.000 0.257 79 A C -0.728 176.912 177.584 0.092 0.000 1.087 79 A CA -0.553 51.546 52.037 0.103 0.000 0.798 79 A CB 0.135 19.181 19.000 0.077 0.000 1.033 79 A HN 0.704 nan 8.150 nan 0.000 0.488 80 L N 2.581 123.837 121.223 0.056 0.000 2.462 80 L HA 0.491 4.878 4.340 0.078 0.000 0.272 80 L C 0.606 177.492 176.870 0.025 0.000 1.166 80 L CA 1.393 56.252 54.840 0.033 0.000 0.880 80 L CB 0.046 42.115 42.059 0.017 0.000 1.142 80 L HN 0.952 nan 8.230 nan 0.000 0.473 81 T N 0.489 115.052 114.554 0.016 0.000 2.841 81 T HA 0.636 5.033 4.350 0.078 0.000 0.296 81 T C 0.159 174.868 174.700 0.015 0.000 1.166 81 T CA -0.196 61.916 62.100 0.021 0.000 1.007 81 T CB 0.901 69.785 68.868 0.026 0.000 1.253 81 T HN 0.826 nan 8.240 nan 0.000 0.511 82 T N 0.529 115.107 114.554 0.039 0.000 2.667 82 T HA 0.210 4.606 4.350 0.078 0.000 0.305 82 T C 1.031 175.752 174.700 0.035 0.000 1.022 82 T CA -0.340 61.791 62.100 0.053 0.000 0.995 82 T CB -0.106 68.835 68.868 0.121 0.000 1.026 82 T HN 0.578 nan 8.240 nan 0.000 0.527 83 N N 0.372 119.096 118.700 0.040 0.000 2.459 83 N HA -0.046 4.740 4.740 0.078 0.000 0.181 83 N C 1.620 177.152 175.510 0.036 0.000 1.046 83 N CA 0.530 53.597 53.050 0.028 0.000 0.904 83 N CB -0.150 38.365 38.487 0.046 0.000 0.964 83 N HN 0.536 nan 8.380 nan 0.000 0.444 84 Q N -0.618 119.214 119.800 0.052 0.000 2.360 84 Q HA 0.212 4.599 4.340 0.078 0.000 0.202 84 Q C 0.793 176.814 176.000 0.036 0.000 0.915 84 Q CA 0.193 56.021 55.803 0.042 0.000 0.943 84 Q CB 0.436 29.202 28.738 0.047 0.000 1.064 84 Q HN 0.377 nan 8.270 nan 0.000 0.511 85 G N 0.377 109.199 108.800 0.037 0.000 2.132 85 G HA2 -0.228 3.778 3.960 0.078 0.000 0.234 85 G HA3 -0.228 3.778 3.960 0.078 0.000 0.234 85 G C 0.051 174.980 174.900 0.048 0.000 0.989 85 G CA 0.147 45.266 45.100 0.032 0.000 0.676 85 G HN 0.207 nan 8.290 nan 0.000 0.522 86 V N 1.440 121.397 119.914 0.072 0.000 2.465 86 V HA 0.420 4.587 4.120 0.078 0.000 0.279 86 V C 1.250 177.390 176.094 0.075 0.000 1.045 86 V CA -0.658 61.696 62.300 0.089 0.000 0.938 86 V CB 1.282 33.197 31.823 0.154 0.000 0.986 86 V HN 0.394 nan 8.190 nan 0.000 0.467 87 R N 4.025 124.562 120.500 0.062 0.000 2.543 87 R HA 0.422 4.809 4.340 0.078 0.000 0.277 87 R C -0.610 175.711 176.300 0.035 0.000 1.074 87 R CA -0.142 55.985 56.100 0.045 0.000 1.076 87 R CB 0.608 30.933 30.300 0.042 0.000 0.993 87 R HN 0.574 nan 8.270 nan 0.000 0.459 88 I N 1.986 122.565 120.570 0.015 0.000 2.336 88 I HA 0.144 4.361 4.170 0.078 0.000 0.292 88 I C 0.915 177.027 176.117 -0.008 0.000 0.991 88 I CA -0.046 61.248 61.300 -0.010 0.000 1.227 88 I CB 1.917 39.900 38.000 -0.027 0.000 1.366 88 I HN 0.769 nan 8.210 nan 0.000 0.466 89 A N 4.034 126.846 122.820 -0.014 0.000 1.911 89 A HA 0.009 4.376 4.320 0.078 0.000 0.212 89 A C 0.666 178.238 177.584 -0.019 0.000 1.189 89 A CA 0.950 52.981 52.037 -0.011 0.000 0.639 89 A CB 0.045 19.041 19.000 -0.007 0.000 0.839 89 A HN 0.684 nan 8.150 nan 0.000 0.449 90 D N -0.543 119.838 120.400 -0.032 0.000 2.440 90 D HA 0.325 5.011 4.640 0.078 0.000 0.252 90 D C -1.388 174.884 176.300 -0.047 0.000 1.180 90 D CA -0.384 53.594 54.000 -0.036 0.000 0.894 90 D CB 1.176 41.955 40.800 -0.036 0.000 1.111 90 D HN 0.059 nan 8.370 nan 0.000 0.544 91 D N 2.151 122.527 120.400 -0.041 0.000 2.460 91 D HA 0.066 4.753 4.640 0.078 0.000 0.229 91 D C 0.596 176.868 176.300 -0.048 0.000 1.170 91 D CA 0.243 54.215 54.000 -0.048 0.000 0.827 91 D CB 0.478 41.255 40.800 -0.039 0.000 0.973 91 D HN 0.219 nan 8.370 nan 0.000 0.496 92 Q N -0.713 119.060 119.800 -0.045 0.000 2.316 92 Q HA 0.260 4.646 4.340 0.078 0.000 0.235 92 Q C -0.107 175.865 176.000 -0.046 0.000 0.863 92 Q CA 0.224 56.001 55.803 -0.044 0.000 0.939 92 Q CB 0.735 29.451 28.738 -0.035 0.000 1.108 92 Q HN 0.203 nan 8.270 nan 0.000 0.522 93 N N 0.069 118.739 118.700 -0.049 0.000 2.262 93 N HA 0.348 5.135 4.740 0.078 0.000 0.295 93 N C -0.898 174.579 175.510 -0.055 0.000 1.161 93 N CA -0.293 52.729 53.050 -0.047 0.000 0.767 93 N CB 2.049 40.513 38.487 -0.039 0.000 1.499 93 N HN -0.184 nan 8.380 nan 0.000 0.476 94 S N 0.658 116.329 115.700 -0.050 0.000 2.617 94 S HA 0.297 4.813 4.470 0.078 0.000 0.269 94 S C 0.098 174.672 174.600 -0.044 0.000 1.292 94 S CA -0.582 57.588 58.200 -0.051 0.000 1.010 94 S CB 0.745 63.921 63.200 -0.040 0.000 0.944 94 S HN 0.387 nan 8.310 nan 0.000 0.536 95 L N 3.643 124.838 121.223 -0.045 0.000 2.319 95 L HA 0.412 4.798 4.340 0.078 0.000 0.280 95 L C 0.102 176.962 176.870 -0.018 0.000 1.099 95 L CA 0.380 55.200 54.840 -0.032 0.000 0.828 95 L CB -0.084 41.956 42.059 -0.032 0.000 1.150 95 L HN 0.704 nan 8.230 nan 0.000 0.442 96 R N 4.180 124.673 120.500 -0.013 0.000 2.888 96 R HA 0.862 5.248 4.340 0.078 0.000 0.264 96 R C -1.071 175.227 176.300 -0.003 0.000 1.045 96 R CA -0.875 55.221 56.100 -0.008 0.000 0.962 96 R CB 1.080 31.374 30.300 -0.010 0.000 1.210 96 R HN 0.570 nan 8.270 nan 0.000 0.479 97 A N 1.047 123.867 122.820 -0.000 0.000 2.798 97 A HA 0.586 4.953 4.320 0.078 0.000 0.316 97 A C 0.492 178.076 177.584 -0.000 0.000 1.506 97 A CA 0.263 52.301 52.037 0.002 0.000 1.162 97 A CB -0.891 18.111 19.000 0.004 0.000 1.138 97 A HN 1.164 nan 8.150 nan 0.000 0.532 98 G N 0.806 109.605 108.800 -0.002 0.000 2.675 98 G HA2 0.066 4.073 3.960 0.078 0.000 0.686 98 G HA3 0.066 4.073 3.960 0.078 0.000 0.686 98 G C 0.606 175.503 174.900 -0.005 0.000 1.215 98 G CA 0.084 45.182 45.100 -0.003 0.000 0.777 98 G HN 1.749 nan 8.290 nan 0.000 0.638 99 S N -0.350 115.346 115.700 -0.006 0.000 2.561 99 S HA 0.072 4.589 4.470 0.078 0.000 0.225 99 S C 1.551 176.145 174.600 -0.009 0.000 0.977 99 S CA 1.324 59.518 58.200 -0.009 0.000 0.926 99 S CB 0.203 63.398 63.200 -0.009 0.000 0.769 99 S HN 0.748 nan 8.310 nan 0.000 0.533 100 R N 0.613 121.109 120.500 -0.007 0.000 2.613 100 R HA 0.357 4.744 4.340 0.078 0.000 0.361 100 R C 0.696 176.992 176.300 -0.006 0.000 1.072 100 R CA -0.047 56.049 56.100 -0.007 0.000 1.089 100 R CB 0.450 30.746 30.300 -0.006 0.000 1.343 100 R HN 0.475 nan 8.270 nan 0.000 0.571 101 G N 0.775 109.572 108.800 -0.006 0.000 2.552 101 G HA2 0.409 4.415 3.960 0.078 0.000 0.318 101 G HA3 0.409 4.415 3.960 0.078 0.000 0.318 101 G C -2.492 172.405 174.900 -0.004 0.000 1.240 101 G CA -1.133 43.964 45.100 -0.004 0.000 1.002 101 G HN -0.032 nan 8.290 nan 0.000 0.493 102 P HA 0.200 nan 4.420 nan 0.000 0.271 102 P C -0.039 177.260 177.300 -0.002 0.000 1.218 102 P CA -0.017 63.082 63.100 -0.001 0.000 0.780 102 P CB 0.717 32.418 31.700 0.002 0.000 0.901 103 T N 2.815 117.367 114.554 -0.003 0.000 2.918 103 T HA 0.260 4.656 4.350 0.078 0.000 0.302 103 T C 0.537 175.238 174.700 0.003 0.000 1.045 103 T CA -0.105 61.993 62.100 -0.004 0.000 1.114 103 T CB 0.066 68.930 68.868 -0.007 0.000 0.965 103 T HN 0.193 nan 8.240 nan 0.000 0.540 104 L N 3.040 124.266 121.223 0.005 0.000 2.343 104 L HA 0.363 4.750 4.340 0.078 0.000 0.275 104 L C 1.320 178.204 176.870 0.023 0.000 1.056 104 L CA -0.839 54.010 54.840 0.015 0.000 0.804 104 L CB 0.925 42.995 42.059 0.018 0.000 1.203 104 L HN 0.488 nan 8.230 nan 0.000 0.440 105 L N 1.773 123.015 121.223 0.030 0.000 2.201 105 L HA -0.165 4.221 4.340 0.078 0.000 0.212 105 L C 2.309 179.215 176.870 0.061 0.000 1.105 105 L CA 1.599 56.463 54.840 0.041 0.000 0.775 105 L CB -0.561 41.520 42.059 0.037 0.000 0.913 105 L HN 0.799 nan 8.230 nan 0.000 0.440 106 E N -1.464 118.777 120.200 0.068 0.000 2.516 106 E HA -0.179 4.218 4.350 0.078 0.000 0.199 106 E C 0.229 176.918 176.600 0.149 0.000 1.069 106 E CA 0.242 56.709 56.400 0.111 0.000 0.876 106 E CB -0.473 29.286 29.700 0.097 0.000 0.843 106 E HN 0.354 nan 8.360 nan 0.000 0.530 107 D N 1.175 121.617 120.400 0.070 0.000 2.455 107 D HA -0.053 4.633 4.640 0.078 0.000 0.234 107 D C 0.453 176.747 176.300 -0.011 0.000 1.224 107 D CA -0.458 53.532 54.000 -0.018 0.000 0.999 107 D CB -0.094 40.672 40.800 -0.056 0.000 1.072 107 D HN 0.296 nan 8.370 nan 0.000 0.514 108 F N 2.252 122.211 119.950 0.014 0.000 2.407 108 F HA 0.078 4.650 4.527 0.074 0.000 0.299 108 F C 1.617 177.429 175.800 0.020 0.000 1.097 108 F CA 0.115 58.126 58.000 0.019 0.000 1.422 108 F CB -0.665 38.346 39.000 0.018 0.000 1.067 108 F HN 0.201 nan 8.300 nan 0.000 0.539 109 I N 0.440 120.586 120.570 -0.706 0.000 2.233 109 I HA -0.194 4.023 4.170 0.078 0.000 0.243 109 I C 2.481 178.493 176.117 -0.175 0.000 1.093 109 I CA 1.043 62.075 61.300 -0.445 0.000 1.380 109 I CB -0.506 37.176 38.000 -0.530 0.000 1.067 109 I HN 0.278 nan 8.210 nan 0.000 0.413 110 L N 1.043 122.174 121.223 -0.153 0.000 2.017 110 L HA -0.184 4.203 4.340 0.078 0.000 0.208 110 L C 2.605 179.465 176.870 -0.017 0.000 1.073 110 L CA 1.840 56.635 54.840 -0.076 0.000 0.745 110 L CB -0.564 41.455 42.059 -0.067 0.000 0.894 110 L HN 0.051 nan 8.230 nan 0.000 0.432 111 R N -0.536 119.970 120.500 0.010 0.000 2.096 111 R HA -0.169 4.217 4.340 0.078 0.000 0.235 111 R C 2.291 178.645 176.300 0.089 0.000 1.127 111 R CA 1.491 57.626 56.100 0.058 0.000 0.968 111 R CB -0.369 29.978 30.300 0.079 0.000 0.861 111 R HN 0.622 nan 8.270 nan 0.000 0.440 112 E N 1.271 121.527 120.200 0.094 0.000 2.072 112 E HA -0.204 4.192 4.350 0.078 0.000 0.190 112 E C 1.855 178.533 176.600 0.129 0.000 0.982 112 E CA 1.032 57.506 56.400 0.123 0.000 0.803 112 E CB 0.123 29.899 29.700 0.128 0.000 0.755 112 E HN 0.136 nan 8.360 nan 0.000 0.453 113 K N 0.320 120.766 120.400 0.077 0.000 2.020 113 K HA -0.164 4.203 4.320 0.078 0.000 0.212 113 K C 2.148 178.819 176.600 0.118 0.000 1.050 113 K CA 1.716 58.044 56.287 0.068 0.000 0.929 113 K CB -0.074 32.426 32.500 -0.000 0.000 0.714 113 K HN 0.183 nan 8.250 nan 0.000 0.443 114 I N 0.993 121.619 120.570 0.094 0.000 2.353 114 I HA -0.169 4.047 4.170 0.078 0.000 0.248 114 I C 2.187 178.424 176.117 0.200 0.000 1.119 114 I CA 1.279 62.658 61.300 0.133 0.000 1.417 114 I CB -1.639 36.405 38.000 0.074 0.000 1.078 114 I HN 0.212 nan 8.210 nan 0.000 0.421 115 T N 0.024 114.686 114.554 0.181 0.000 2.684 115 T HA -0.235 4.162 4.350 0.078 0.000 0.267 115 T C 1.973 176.836 174.700 0.272 0.000 1.036 115 T CA 1.621 63.859 62.100 0.231 0.000 1.148 115 T CB -0.480 68.514 68.868 0.209 0.000 0.863 115 T HN 0.346 nan 8.240 nan 0.000 0.436 116 H N 0.001 119.173 119.070 0.169 0.000 2.353 116 H HA -0.064 4.535 4.556 0.071 0.000 0.300 116 H C 2.193 177.598 175.328 0.128 0.000 1.090 116 H CA 1.608 57.740 56.048 0.140 0.000 1.327 116 H CB -0.472 29.348 29.762 0.096 0.000 1.383 116 H HN 0.410 nan 8.280 nan 0.000 0.508 117 F N 2.072 122.101 119.950 0.131 0.000 2.126 117 F HA -0.211 4.286 4.527 -0.050 0.000 0.299 117 F C 1.971 177.741 175.800 -0.050 0.000 1.096 117 F CA 1.826 59.850 58.000 0.040 0.000 1.255 117 F CB -0.300 38.710 39.000 0.017 0.000 0.997 117 F HN 0.060 nan 8.300 nan 0.000 0.479 118 D N -1.085 119.274 120.400 -0.068 0.000 2.218 118 D HA -0.154 4.533 4.640 0.078 0.000 0.204 118 D C 1.192 177.168 176.300 -0.541 0.000 0.976 118 D CA 1.293 55.084 54.000 -0.348 0.000 0.853 118 D CB -0.441 40.147 40.800 -0.354 0.000 0.939 118 D HN 0.504 nan 8.370 nan 0.000 0.481 119 H N -0.022 118.942 119.070 -0.177 0.000 2.472 119 H HA 0.232 4.866 4.556 0.130 0.000 0.287 119 H C 0.916 176.096 175.328 -0.247 0.000 1.112 119 H CA -0.067 55.868 56.048 -0.188 0.000 1.021 119 H CB 0.489 30.153 29.762 -0.164 0.000 1.635 119 H HN 0.281 nan 8.280 nan 0.000 0.559 120 E N 0.616 120.682 120.200 -0.224 0.000 2.107 120 E HA -0.021 4.376 4.350 0.078 0.000 0.191 120 E C 0.517 176.979 176.600 -0.229 0.000 0.982 120 E CA 0.432 56.673 56.400 -0.264 0.000 0.809 120 E CB 0.494 30.018 29.700 -0.293 0.000 0.756 120 E HN 0.169 nan 8.360 nan 0.000 0.459 121 R N 1.401 121.811 120.500 -0.151 0.000 2.441 121 R HA 0.339 4.726 4.340 0.078 0.000 0.284 121 R C 0.434 176.755 176.300 0.036 0.000 1.070 121 R CA -0.197 55.875 56.100 -0.046 0.000 1.047 121 R CB 0.604 30.870 30.300 -0.055 0.000 1.016 121 R HN 0.184 nan 8.270 nan 0.000 0.477 122 I N -0.846 119.801 120.570 0.128 0.000 2.846 122 I HA 0.589 4.806 4.170 0.078 0.000 0.307 122 I C -2.242 173.933 176.117 0.097 0.000 1.053 122 I CA -2.895 58.481 61.300 0.127 0.000 1.050 122 I CB 1.925 40.032 38.000 0.178 0.000 1.239 122 I HN 0.261 nan 8.210 nan 0.000 0.439 123 P HA 0.144 nan 4.420 nan 0.000 0.268 123 P C -0.914 176.420 177.300 0.056 0.000 1.205 123 P CA -0.112 63.017 63.100 0.048 0.000 0.771 123 P CB 0.480 32.200 31.700 0.032 0.000 0.858 124 E N 2.417 122.652 120.200 0.058 0.000 2.369 124 E HA 0.242 4.638 4.350 0.078 0.000 0.255 124 E C -0.458 176.176 176.600 0.057 0.000 1.172 124 E CA -0.901 55.541 56.400 0.069 0.000 0.932 124 E CB 0.635 30.379 29.700 0.073 0.000 1.040 124 E HN 0.246 nan 8.360 nan 0.000 0.454 125 R N 0.467 121.009 120.500 0.070 0.000 2.590 125 R HA 0.048 4.435 4.340 0.078 0.000 0.274 125 R C 1.117 177.461 176.300 0.073 0.000 1.061 125 R CA -0.036 56.106 56.100 0.069 0.000 1.081 125 R CB 0.279 30.641 30.300 0.103 0.000 0.984 125 R HN 0.654 nan 8.270 nan 0.000 0.448 126 I N 2.931 123.539 120.570 0.063 0.000 2.264 126 I HA -0.184 4.033 4.170 0.078 0.000 0.248 126 I C 0.248 176.421 176.117 0.093 0.000 1.111 126 I CA 1.362 62.703 61.300 0.069 0.000 1.382 126 I CB 0.433 38.473 38.000 0.066 0.000 1.060 126 I HN 0.362 nan 8.210 nan 0.000 0.418 127 V N -2.589 117.416 119.914 0.151 0.000 2.876 127 V HA 0.490 4.656 4.120 0.078 0.000 0.312 127 V C -0.099 176.164 176.094 0.283 0.000 1.085 127 V CA -0.795 61.616 62.300 0.185 0.000 0.945 127 V CB 1.395 33.397 31.823 0.298 0.000 1.017 127 V HN 0.394 nan 8.190 nan 0.000 0.428 128 H N 0.797 119.943 119.070 0.125 0.000 2.941 128 H HA -0.198 4.405 4.556 0.077 0.000 0.279 128 H C 1.469 176.855 175.328 0.097 0.000 1.247 128 H CA 0.803 56.921 56.048 0.117 0.000 1.129 128 H CB -1.219 28.619 29.762 0.127 0.000 1.313 128 H HN 1.174 nan 8.280 nan 0.000 0.384 129 A N 0.706 123.623 122.820 0.161 0.000 1.969 129 A HA -0.089 4.277 4.320 0.078 0.000 0.218 129 A C 1.703 179.381 177.584 0.156 0.000 1.169 129 A CA 1.329 53.449 52.037 0.138 0.000 0.635 129 A CB -0.046 19.012 19.000 0.096 0.000 0.810 129 A HN 0.260 nan 8.150 nan 0.000 0.445 130 R N 0.214 120.805 120.500 0.152 0.000 2.196 130 R HA 0.502 4.889 4.340 0.078 0.000 0.340 130 R C -0.109 176.319 176.300 0.213 0.000 1.043 130 R CA 0.778 56.984 56.100 0.177 0.000 0.883 130 R CB 0.199 30.586 30.300 0.146 0.000 1.078 130 R HN 0.336 nan 8.270 nan 0.000 0.462 131 G N 0.854 109.801 108.800 0.245 0.000 2.677 131 G HA2 0.521 4.527 3.960 0.078 0.000 0.291 131 G HA3 0.521 4.527 3.960 0.078 0.000 0.291 131 G C -1.593 173.466 174.900 0.265 0.000 1.435 131 G CA -0.624 44.598 45.100 0.205 0.000 0.826 131 G HN 0.489 nan 8.290 nan 0.000 0.491 132 S N -1.039 114.767 115.700 0.177 0.000 2.538 132 S HA 0.878 5.394 4.470 0.078 0.000 0.288 132 S C -0.108 174.498 174.600 0.010 0.000 1.108 132 S CA -0.171 58.176 58.200 0.245 0.000 0.971 132 S CB 1.732 65.180 63.200 0.413 0.000 1.041 132 S HN 1.480 nan 8.310 nan 0.000 0.483 133 A N 1.553 124.341 122.820 -0.054 0.000 2.479 133 A HA 1.044 5.410 4.320 0.078 0.000 0.296 133 A C -0.861 176.529 177.584 -0.324 0.000 1.121 133 A CA -0.745 51.066 52.037 -0.377 0.000 0.743 133 A CB 1.591 20.232 19.000 -0.599 0.000 1.323 133 A HN 1.361 nan 8.150 nan 0.000 0.415 134 A N 0.194 122.661 122.820 -0.588 0.000 2.612 134 A HA 0.712 5.078 4.320 0.078 0.000 0.293 134 A C -1.103 176.236 177.584 -0.408 0.000 1.075 134 A CA -0.654 51.175 52.037 -0.346 0.000 0.680 134 A CB 0.727 19.620 19.000 -0.178 0.000 1.279 134 A HN 0.878 nan 8.150 nan 0.000 0.411 135 H N -0.410 118.626 119.070 -0.057 0.000 2.488 135 H HA 0.725 5.327 4.556 0.077 0.000 0.347 135 H C 0.598 175.904 175.328 -0.037 0.000 1.174 135 H CA 0.701 56.782 56.048 0.055 0.000 1.307 135 H CB 1.878 31.701 29.762 0.102 0.000 1.517 135 H HN 1.166 nan 8.280 nan 0.000 0.554 136 G N 0.200 109.080 108.800 0.133 0.000 2.500 136 G HA2 0.344 4.351 3.960 0.078 0.000 0.299 136 G HA3 0.344 4.351 3.960 0.078 0.000 0.299 136 G C -2.076 172.934 174.900 0.184 0.000 1.242 136 G CA -0.655 44.487 45.100 0.070 0.000 0.859 136 G HN 0.623 nan 8.290 nan 0.000 0.481 137 Y N -1.498 118.829 120.300 0.044 0.000 2.588 137 Y HA 0.850 5.446 4.550 0.077 0.000 0.343 137 Y C -1.701 174.326 175.900 0.212 0.000 1.065 137 Y CA -2.063 56.108 58.100 0.118 0.000 1.038 137 Y CB 1.987 40.493 38.460 0.076 0.000 1.297 137 Y HN 0.791 nan 8.280 nan 0.000 0.467 138 F N 2.326 122.401 119.950 0.209 0.000 2.563 138 F HA 0.699 5.273 4.527 0.078 0.000 0.316 138 F C -1.220 174.772 175.800 0.321 0.000 1.076 138 F CA -0.618 57.524 58.000 0.237 0.000 0.921 138 F CB 2.324 41.603 39.000 0.464 0.000 1.209 138 F HN 0.788 nan 8.300 nan 0.000 0.462 139 Q N 7.014 126.227 119.800 -0.979 0.000 2.284 139 Q HA 0.465 4.851 4.340 0.078 0.000 0.269 139 Q C -2.962 172.409 176.000 -1.049 0.000 1.026 139 Q CA -2.308 53.075 55.803 -0.699 0.000 0.831 139 Q CB 2.979 31.627 28.738 -0.149 0.000 1.322 139 Q HN 0.363 nan 8.270 nan 0.000 0.419 140 P HA 0.053 nan 4.420 nan 0.000 0.277 140 P C -0.491 176.692 177.300 -0.194 0.000 1.240 140 P CA 0.086 62.960 63.100 -0.376 0.000 0.798 140 P CB 0.606 32.256 31.700 -0.083 0.000 0.979 141 Y N 0.831 121.081 120.300 -0.084 0.000 2.395 141 Y HA -0.038 4.558 4.550 0.078 0.000 0.293 141 Y C 1.412 177.288 175.900 -0.040 0.000 1.123 141 Y CA 0.381 58.450 58.100 -0.053 0.000 1.227 141 Y CB 0.303 38.738 38.460 -0.040 0.000 1.012 141 Y HN 0.382 nan 8.280 nan 0.000 0.552 142 K N -1.229 119.232 120.400 0.100 0.000 2.615 142 K HA 0.343 4.710 4.320 0.078 0.000 0.291 142 K C -1.024 175.585 176.600 0.014 0.000 1.017 142 K CA -0.945 55.373 56.287 0.052 0.000 0.882 142 K CB 1.279 33.809 32.500 0.051 0.000 1.522 142 K HN -0.227 nan 8.250 nan 0.000 0.412 143 S N 0.904 116.608 115.700 0.007 0.000 2.531 143 S HA 0.203 4.720 4.470 0.078 0.000 0.279 143 S C 0.313 174.904 174.600 -0.016 0.000 1.305 143 S CA -0.704 57.492 58.200 -0.007 0.000 1.058 143 S CB -0.191 63.007 63.200 -0.003 0.000 0.899 143 S HN 0.558 nan 8.310 nan 0.000 0.493 144 L N 4.822 126.026 121.223 -0.032 0.000 2.928 144 L HA 0.174 4.561 4.340 0.078 0.000 0.246 144 L C 2.023 178.879 176.870 -0.024 0.000 1.239 144 L CA -0.102 54.724 54.840 -0.024 0.000 1.035 144 L CB -0.205 41.842 42.059 -0.020 0.000 1.360 144 L HN 0.861 nan 8.230 nan 0.000 0.529 145 S N -1.615 114.069 115.700 -0.026 0.000 2.465 145 S HA -0.184 4.333 4.470 0.078 0.000 0.241 145 S C 1.251 175.836 174.600 -0.024 0.000 1.000 145 S CA 1.155 59.338 58.200 -0.028 0.000 0.964 145 S CB -0.175 63.012 63.200 -0.021 0.000 0.763 145 S HN 0.426 nan 8.310 nan 0.000 0.512 146 D N 2.145 122.535 120.400 -0.016 0.000 2.183 146 D HA 0.024 4.711 4.640 0.078 0.000 0.203 146 D C 1.915 178.202 176.300 -0.022 0.000 0.969 146 D CA 1.400 55.390 54.000 -0.016 0.000 0.842 146 D CB -0.235 40.559 40.800 -0.008 0.000 0.957 146 D HN 0.780 nan 8.370 nan 0.000 0.484 147 I N -3.248 117.312 120.570 -0.016 0.000 3.708 147 I HA 0.185 4.402 4.170 0.078 0.000 0.302 147 I C 0.486 176.571 176.117 -0.054 0.000 1.255 147 I CA 0.171 61.456 61.300 -0.026 0.000 1.362 147 I CB 0.913 38.922 38.000 0.015 0.000 1.100 147 I HN -0.251 nan 8.210 nan 0.000 0.434 148 T N 1.658 116.181 114.554 -0.051 0.000 3.041 148 T HA 0.291 4.688 4.350 0.078 0.000 0.321 148 T C -0.003 174.649 174.700 -0.081 0.000 1.184 148 T CA -0.768 61.282 62.100 -0.083 0.000 1.050 148 T CB 1.681 70.490 68.868 -0.098 0.000 1.159 148 T HN 0.437 nan 8.240 nan 0.000 0.469 149 K N 2.736 123.085 120.400 -0.085 0.000 2.437 149 K HA 0.553 4.920 4.320 0.078 0.000 0.198 149 K C 0.675 177.236 176.600 -0.064 0.000 1.024 149 K CA -0.335 55.912 56.287 -0.066 0.000 1.148 149 K CB 0.214 32.681 32.500 -0.055 0.000 0.860 149 K HN 0.481 nan 8.250 nan 0.000 0.515 150 A N 2.035 124.795 122.820 -0.100 0.000 2.522 150 A HA -0.041 4.325 4.320 0.078 0.000 0.256 150 A C 0.560 178.108 177.584 -0.061 0.000 1.086 150 A CA 0.044 52.030 52.037 -0.084 0.000 0.763 150 A CB 0.054 18.937 19.000 -0.195 0.000 1.024 150 A HN 0.498 nan 8.150 nan 0.000 0.502 151 D N 2.332 122.765 120.400 0.056 0.000 2.133 151 D HA -0.268 4.419 4.640 0.078 0.000 0.195 151 D C 1.367 177.743 176.300 0.126 0.000 0.997 151 D CA 2.439 56.491 54.000 0.087 0.000 0.840 151 D CB -0.258 40.615 40.800 0.121 0.000 0.947 151 D HN 0.759 nan 8.370 nan 0.000 0.452 152 F N -0.721 119.252 119.950 0.039 0.000 2.641 152 F HA 0.128 4.702 4.527 0.078 0.000 0.298 152 F C 1.079 176.962 175.800 0.138 0.000 1.146 152 F CA 0.390 58.451 58.000 0.102 0.000 1.464 152 F CB -0.164 38.896 39.000 0.100 0.000 1.101 152 F HN -0.023 nan 8.300 nan 0.000 0.585 153 L N 0.567 121.503 121.223 -0.477 0.000 2.808 153 L HA 0.163 4.550 4.340 0.078 0.000 0.246 153 L C 2.013 178.804 176.870 -0.131 0.000 1.153 153 L CA 0.391 55.025 54.840 -0.345 0.000 0.956 153 L CB 0.014 41.767 42.059 -0.510 0.000 1.270 153 L HN 0.304 nan 8.230 nan 0.000 0.528 154 S N -2.096 113.561 115.700 -0.072 0.000 2.603 154 S HA 0.018 4.535 4.470 0.078 0.000 0.220 154 S C 0.345 174.944 174.600 -0.001 0.000 0.967 154 S CA -0.041 58.141 58.200 -0.030 0.000 0.920 154 S CB -0.031 63.163 63.200 -0.011 0.000 0.773 154 S HN 0.364 nan 8.310 nan 0.000 0.529 155 D N 0.416 120.825 120.400 0.014 0.000 2.937 155 D HA 0.322 5.009 4.640 0.078 0.000 0.215 155 D C -2.700 173.617 176.300 0.029 0.000 1.274 155 D CA -1.784 52.231 54.000 0.025 0.000 0.869 155 D CB 2.121 42.943 40.800 0.037 0.000 1.675 155 D HN -0.154 nan 8.370 nan 0.000 0.538 156 P HA 0.029 nan 4.420 nan 0.000 0.233 156 P C 0.509 177.828 177.300 0.032 0.000 1.167 156 P CA 0.467 63.583 63.100 0.026 0.000 0.770 156 P CB 0.434 32.157 31.700 0.038 0.000 0.837 157 N N -0.226 118.496 118.700 0.037 0.000 2.422 157 N HA -0.017 4.770 4.740 0.078 0.000 0.181 157 N C 0.735 176.277 175.510 0.053 0.000 1.080 157 N CA 0.317 53.390 53.050 0.039 0.000 0.893 157 N CB 0.128 38.635 38.487 0.032 0.000 0.973 157 N HN 0.258 nan 8.380 nan 0.000 0.456 158 K N 1.687 122.129 120.400 0.070 0.000 2.349 158 K HA 0.152 4.518 4.320 0.078 0.000 0.289 158 K C -0.447 176.241 176.600 0.146 0.000 1.064 158 K CA -0.334 56.018 56.287 0.109 0.000 0.947 158 K CB 0.369 32.947 32.500 0.130 0.000 1.007 158 K HN 0.009 nan 8.250 nan 0.000 0.478 159 I N 2.093 122.753 120.570 0.150 0.000 2.377 159 I HA 0.302 4.519 4.170 0.078 0.000 0.293 159 I C -0.986 175.295 176.117 0.273 0.000 0.987 159 I CA 0.252 61.672 61.300 0.200 0.000 1.185 159 I CB 2.104 40.176 38.000 0.120 0.000 1.341 159 I HN 0.384 nan 8.210 nan 0.000 0.455 160 T N 8.477 123.280 114.554 0.415 0.000 2.786 160 T HA 0.527 4.924 4.350 0.078 0.000 0.283 160 T C -2.641 172.313 174.700 0.423 0.000 0.992 160 T CA -1.122 61.244 62.100 0.442 0.000 0.954 160 T CB 1.321 70.553 68.868 0.606 0.000 0.934 160 T HN 0.463 nan 8.240 nan 0.000 0.440 161 P HA 0.367 nan 4.420 nan 0.000 0.271 161 P C -0.696 176.827 177.300 0.372 0.000 1.218 161 P CA -0.463 62.819 63.100 0.303 0.000 0.780 161 P CB 0.637 32.436 31.700 0.165 0.000 0.901 162 V N -0.674 119.403 119.914 0.272 0.000 3.078 162 V HA 0.734 4.900 4.120 0.078 0.000 0.311 162 V C -1.482 174.756 176.094 0.240 0.000 1.138 162 V CA -1.038 61.329 62.300 0.111 0.000 1.007 162 V CB 2.274 33.923 31.823 -0.290 0.000 1.045 162 V HN 0.367 nan 8.190 nan 0.000 0.432 163 F N 2.288 122.220 119.950 -0.031 0.000 2.536 163 F HA 0.839 5.412 4.527 0.077 0.000 0.322 163 F C -0.869 174.842 175.800 -0.148 0.000 1.144 163 F CA -0.586 57.354 58.000 -0.099 0.000 0.924 163 F CB 1.880 40.840 39.000 -0.066 0.000 1.181 163 F HN 0.541 nan 8.300 nan 0.000 0.438 164 V N 6.636 126.121 119.914 -0.715 0.000 2.513 164 V HA 0.585 4.751 4.120 0.078 0.000 0.299 164 V C -0.578 174.907 176.094 -1.015 0.000 1.035 164 V CA -0.837 60.990 62.300 -0.789 0.000 0.889 164 V CB 1.872 33.171 31.823 -0.872 0.000 0.988 164 V HN 0.752 nan 8.190 nan 0.000 0.440 165 R N 3.185 123.097 120.500 -0.979 0.000 2.513 165 R HA 0.619 5.005 4.340 0.078 0.000 0.301 165 R C -1.799 173.938 176.300 -0.939 0.000 0.968 165 R CA -0.463 55.137 56.100 -0.833 0.000 0.872 165 R CB 1.334 31.339 30.300 -0.492 0.000 1.177 165 R HN 0.574 nan 8.270 nan 0.000 0.444 166 F N 2.083 121.670 119.950 -0.605 0.000 2.450 166 F HA 0.512 5.085 4.527 0.077 0.000 0.332 166 F C 0.483 175.988 175.800 -0.492 0.000 1.093 166 F CA -0.264 57.280 58.000 -0.759 0.000 1.003 166 F CB 2.189 40.246 39.000 -1.571 0.000 1.151 166 F HN 0.608 nan 8.300 nan 0.000 0.474 167 S N -0.547 115.136 115.700 -0.029 0.000 2.688 167 S HA 0.757 5.274 4.470 0.078 0.000 0.275 167 S C -0.615 174.133 174.600 0.247 0.000 1.175 167 S CA -0.785 57.514 58.200 0.167 0.000 0.818 167 S CB 1.600 64.949 63.200 0.248 0.000 1.157 167 S HN 0.674 nan 8.310 nan 0.000 0.482 168 T N -1.971 112.703 114.554 0.200 0.000 2.876 168 T HA 0.735 5.131 4.350 0.078 0.000 0.277 168 T C 0.705 175.332 174.700 -0.121 0.000 0.997 168 T CA -0.309 61.852 62.100 0.101 0.000 0.966 168 T CB 0.688 69.626 68.868 0.116 0.000 1.312 168 T HN 0.536 nan 8.240 nan 0.000 0.598 169 V N -0.010 119.783 119.914 -0.202 0.000 2.743 169 V HA 0.089 4.255 4.120 0.078 0.000 0.237 169 V C 2.809 178.802 176.094 -0.169 0.000 1.113 169 V CA 0.452 62.514 62.300 -0.396 0.000 1.141 169 V CB -0.429 31.245 31.823 -0.247 0.000 0.873 169 V HN 0.868 nan 8.190 nan 0.000 0.486 170 Q N 1.032 120.769 119.800 -0.104 0.000 2.020 170 Q HA 0.012 4.398 4.340 0.078 0.000 0.198 170 Q C 1.334 177.300 176.000 -0.057 0.000 0.974 170 Q CA 1.491 57.240 55.803 -0.090 0.000 0.829 170 Q CB -0.492 28.177 28.738 -0.115 0.000 0.894 170 Q HN 0.592 nan 8.270 nan 0.000 0.433 171 G N -0.167 108.614 108.800 -0.032 0.000 2.636 171 G HA2 0.335 4.341 3.960 0.078 0.000 0.246 171 G HA3 0.335 4.341 3.960 0.078 0.000 0.246 171 G C 0.184 175.086 174.900 0.003 0.000 1.216 171 G CA 0.090 45.180 45.100 -0.017 0.000 0.854 171 G HN 0.360 nan 8.290 nan 0.000 0.572 172 G N -1.062 107.737 108.800 -0.001 0.000 2.653 172 G HA2 0.480 4.487 3.960 0.078 0.000 0.265 172 G HA3 0.480 4.487 3.960 0.078 0.000 0.265 172 G C 1.299 176.225 174.900 0.043 0.000 1.237 172 G CA 0.409 45.518 45.100 0.015 0.000 0.946 172 G HN 1.083 nan 8.290 nan 0.000 0.522 173 A N -0.918 121.938 122.820 0.060 0.000 2.067 173 A HA 0.178 4.544 4.320 0.078 0.000 0.219 173 A C 2.162 179.782 177.584 0.060 0.000 1.158 173 A CA 1.851 53.941 52.037 0.089 0.000 0.661 173 A CB -0.275 18.793 19.000 0.114 0.000 0.801 173 A HN 1.084 nan 8.150 nan 0.000 0.452 174 G N -0.114 108.703 108.800 0.028 0.000 3.337 174 G HA2 0.329 4.336 3.960 0.078 0.000 0.246 174 G HA3 0.329 4.336 3.960 0.078 0.000 0.246 174 G C 0.669 175.570 174.900 0.002 0.000 1.131 174 G CA 0.637 45.740 45.100 0.005 0.000 0.773 174 G HN 0.636 nan 8.290 nan 0.000 0.544 175 S N -0.136 115.573 115.700 0.015 0.000 2.624 175 S HA 0.724 5.240 4.470 0.078 0.000 0.263 175 S C 0.504 175.117 174.600 0.022 0.000 1.287 175 S CA -0.022 58.184 58.200 0.009 0.000 0.990 175 S CB 1.668 64.873 63.200 0.009 0.000 0.950 175 S HN 0.569 nan 8.310 nan 0.000 0.561 176 A N 0.423 123.250 122.820 0.012 0.000 2.286 176 A HA 0.445 4.812 4.320 0.078 0.000 0.286 176 A C 0.619 178.224 177.584 0.035 0.000 1.097 176 A CA -0.583 51.460 52.037 0.010 0.000 0.821 176 A CB -0.016 18.972 19.000 -0.020 0.000 1.076 176 A HN 0.890 nan 8.150 nan 0.000 0.490 177 D N 0.186 120.599 120.400 0.022 0.000 2.149 177 D HA -0.047 4.639 4.640 0.078 0.000 0.206 177 D C 1.542 177.837 176.300 -0.009 0.000 0.967 177 D CA 2.188 56.218 54.000 0.049 0.000 0.848 177 D CB -0.260 40.544 40.800 0.007 0.000 0.998 177 D HN 0.667 nan 8.370 nan 0.000 0.474 178 T N 0.010 114.480 114.554 -0.141 0.000 3.418 178 T HA 0.294 4.691 4.350 0.078 0.000 0.239 178 T C 0.784 175.477 174.700 -0.013 0.000 0.905 178 T CA -0.571 61.441 62.100 -0.147 0.000 0.929 178 T CB -0.974 67.716 68.868 -0.296 0.000 1.121 178 T HN -0.083 nan 8.240 nan 0.000 0.608 179 V N -1.397 118.558 119.914 0.067 0.000 3.214 179 V HA 0.525 4.692 4.120 0.078 0.000 0.306 179 V C 0.607 176.828 176.094 0.211 0.000 1.078 179 V CA -1.574 60.808 62.300 0.137 0.000 1.077 179 V CB 0.717 32.604 31.823 0.107 0.000 1.121 179 V HN 0.538 nan 8.190 nan 0.000 0.468 180 R N 1.365 122.030 120.500 0.275 0.000 2.234 180 R HA 0.520 4.907 4.340 0.078 0.000 0.324 180 R C -1.008 175.346 176.300 0.090 0.000 1.054 180 R CA -0.046 56.167 56.100 0.188 0.000 0.912 180 R CB 0.357 30.695 30.300 0.064 0.000 1.030 180 R HN 1.077 nan 8.270 nan 0.000 0.455 181 D N 3.091 123.548 120.400 0.094 0.000 2.807 181 D HA 0.136 4.822 4.640 0.078 0.000 0.279 181 D C -0.818 175.538 176.300 0.094 0.000 1.247 181 D CA -0.608 53.428 54.000 0.061 0.000 0.749 181 D CB 0.991 41.820 40.800 0.048 0.000 1.264 181 D HN 0.232 nan 8.370 nan 0.000 0.421 182 I N 1.209 121.827 120.570 0.080 0.000 2.882 182 I HA 0.283 4.500 4.170 0.078 0.000 0.286 182 I C 0.778 176.911 176.117 0.027 0.000 1.139 182 I CA -0.053 61.272 61.300 0.042 0.000 1.379 182 I CB 0.099 38.094 38.000 -0.010 0.000 1.410 182 I HN 0.259 nan 8.210 nan 0.000 0.594 183 R N 2.726 123.267 120.500 0.068 0.000 2.494 183 R HA 0.546 4.933 4.340 0.078 0.000 0.305 183 R C -0.046 176.373 176.300 0.198 0.000 0.959 183 R CA -0.701 55.496 56.100 0.161 0.000 0.864 183 R CB 1.515 31.963 30.300 0.247 0.000 1.159 183 R HN 0.821 nan 8.270 nan 0.000 0.446 184 G N 1.064 110.051 108.800 0.311 0.000 2.476 184 G HA2 0.502 4.508 3.960 0.078 0.000 0.286 184 G HA3 0.502 4.508 3.960 0.078 0.000 0.286 184 G C -1.250 173.809 174.900 0.265 0.000 1.177 184 G CA -0.022 45.321 45.100 0.406 0.000 0.870 184 G HN 0.360 nan 8.290 nan 0.000 0.528 185 F N 1.119 121.048 119.950 -0.035 0.000 3.287 185 F HA 0.606 5.179 4.527 0.078 0.000 0.379 185 F C -0.390 175.174 175.800 -0.394 0.000 1.268 185 F CA -1.731 56.135 58.000 -0.224 0.000 1.220 185 F CB 0.966 39.951 39.000 -0.025 0.000 1.687 185 F HN 0.701 nan 8.300 nan 0.000 0.648 186 A N 3.478 126.075 122.820 -0.372 0.000 2.303 186 A HA 0.807 5.173 4.320 0.078 0.000 0.320 186 A C -0.642 176.573 177.584 -0.614 0.000 1.192 186 A CA -0.452 51.206 52.037 -0.632 0.000 0.821 186 A CB 0.928 19.170 19.000 -1.263 0.000 1.188 186 A HN 0.542 nan 8.150 nan 0.000 0.492 187 T N 2.239 116.563 114.554 -0.383 0.000 2.812 187 T HA 0.427 4.823 4.350 0.078 0.000 0.282 187 T C -0.401 174.137 174.700 -0.270 0.000 0.990 187 T CA -0.493 61.387 62.100 -0.368 0.000 0.960 187 T CB 1.162 69.767 68.868 -0.438 0.000 0.948 187 T HN 0.619 nan 8.240 nan 0.000 0.438 188 K N 3.393 123.667 120.400 -0.209 0.000 2.316 188 K HA 0.477 4.843 4.320 0.078 0.000 0.267 188 K C -1.358 174.934 176.600 -0.513 0.000 1.025 188 K CA -0.631 55.474 56.287 -0.304 0.000 0.896 188 K CB 0.395 32.675 32.500 -0.368 0.000 1.124 188 K HN 0.380 nan 8.250 nan 0.000 0.451 189 F N 4.022 123.693 119.950 -0.465 0.000 2.405 189 F HA 0.255 4.829 4.527 0.078 0.000 0.355 189 F C -0.333 175.256 175.800 -0.352 0.000 1.121 189 F CA -0.640 57.151 58.000 -0.348 0.000 1.112 189 F CB 0.724 39.459 39.000 -0.441 0.000 1.126 189 F HN 0.419 nan 8.300 nan 0.000 0.481 190 Y N 1.576 121.934 120.300 0.097 0.000 2.636 190 Y HA 0.207 4.803 4.550 0.077 0.000 0.334 190 Y C 1.123 177.077 175.900 0.090 0.000 1.286 190 Y CA -0.905 57.233 58.100 0.064 0.000 1.688 190 Y CB -0.482 38.005 38.460 0.045 0.000 1.662 190 Y HN 0.567 nan 8.280 nan 0.000 0.465 191 T N -2.718 111.925 114.554 0.149 0.000 2.828 191 T HA 0.104 4.500 4.350 0.078 0.000 0.290 191 T C 1.065 175.855 174.700 0.151 0.000 1.019 191 T CA -0.573 61.617 62.100 0.150 0.000 1.031 191 T CB 1.015 69.933 68.868 0.082 0.000 1.001 191 T HN 0.647 nan 8.240 nan 0.000 0.531 192 E N 0.140 120.435 120.200 0.158 0.000 2.347 192 E HA -0.047 4.350 4.350 0.078 0.000 0.196 192 E C 1.075 177.741 176.600 0.110 0.000 1.008 192 E CA 0.737 57.214 56.400 0.128 0.000 0.852 192 E CB 0.124 29.896 29.700 0.121 0.000 0.783 192 E HN 0.733 nan 8.360 nan 0.000 0.505 193 E N 0.155 120.422 120.200 0.111 0.000 2.585 193 E HA 0.267 4.664 4.350 0.078 0.000 0.206 193 E C 0.023 176.670 176.600 0.079 0.000 1.007 193 E CA -0.256 56.202 56.400 0.095 0.000 1.028 193 E CB 1.204 30.963 29.700 0.098 0.000 1.087 193 E HN 0.178 nan 8.360 nan 0.000 0.455 194 G N 1.064 109.904 108.800 0.068 0.000 2.459 194 G HA2 -0.118 3.889 3.960 0.078 0.000 0.685 194 G HA3 -0.118 3.889 3.960 0.078 0.000 0.685 194 G C -0.793 174.113 174.900 0.010 0.000 1.303 194 G CA -1.106 44.012 45.100 0.030 0.000 0.907 194 G HN 0.102 nan 8.290 nan 0.000 0.632 195 I N 0.479 121.021 120.570 -0.047 0.000 2.474 195 I HA 0.493 4.710 4.170 0.078 0.000 0.287 195 I C -0.035 176.089 176.117 0.011 0.000 1.048 195 I CA -0.291 60.957 61.300 -0.086 0.000 1.383 195 I CB 1.039 38.919 38.000 -0.200 0.000 1.412 195 I HN 0.483 nan 8.210 nan 0.000 0.531 196 F N 6.304 126.152 119.950 -0.169 0.000 2.460 196 F HA 0.437 5.011 4.527 0.078 0.000 0.341 196 F C -0.980 174.792 175.800 -0.048 0.000 1.130 196 F CA -1.165 56.736 58.000 -0.163 0.000 0.962 196 F CB 0.806 39.569 39.000 -0.395 0.000 1.171 196 F HN 0.302 nan 8.300 nan 0.000 0.436 197 D N 6.767 126.985 120.400 -0.303 0.000 2.280 197 D HA 0.276 4.963 4.640 0.078 0.000 0.236 197 D C -0.688 175.188 176.300 -0.707 0.000 1.082 197 D CA 0.057 53.831 54.000 -0.375 0.000 0.834 197 D CB 2.363 43.123 40.800 -0.068 0.000 1.100 197 D HN 0.638 nan 8.370 nan 0.000 0.486 198 L N 3.168 123.957 121.223 -0.723 0.000 2.272 198 L HA 0.272 4.658 4.340 0.078 0.000 0.284 198 L C -0.947 175.717 176.870 -0.343 0.000 1.045 198 L CA -0.638 53.832 54.840 -0.617 0.000 0.842 198 L CB 0.741 42.461 42.059 -0.564 0.000 1.224 198 L HN 0.064 nan 8.230 nan 0.000 0.430 199 V N 5.093 124.831 119.914 -0.293 0.000 2.288 199 V HA 0.550 4.716 4.120 0.078 0.000 0.266 199 V C 0.752 176.718 176.094 -0.213 0.000 1.048 199 V CA -0.285 61.847 62.300 -0.279 0.000 0.842 199 V CB 0.539 32.157 31.823 -0.340 0.000 1.064 199 V HN 0.806 nan 8.190 nan 0.000 0.472 200 G N 2.784 111.490 108.800 -0.155 0.000 3.108 200 G HA2 0.707 4.714 3.960 0.078 0.000 0.268 200 G HA3 0.707 4.714 3.960 0.078 0.000 0.268 200 G C -1.086 173.904 174.900 0.150 0.000 1.361 200 G CA -0.540 44.519 45.100 -0.068 0.000 1.047 200 G HN 0.621 nan 8.290 nan 0.000 0.540 201 H N -1.109 118.023 119.070 0.103 0.000 2.908 201 H HA 0.231 4.834 4.556 0.077 0.000 0.350 201 H C 0.052 175.544 175.328 0.274 0.000 1.217 201 H CA -0.809 55.356 56.048 0.196 0.000 1.168 201 H CB 2.230 32.085 29.762 0.154 0.000 1.891 201 H HN 0.517 nan 8.280 nan 0.000 0.566 202 N N 0.138 119.069 118.700 0.385 0.000 2.276 202 N HA -0.021 4.765 4.740 0.078 0.000 0.212 202 N C -0.323 175.441 175.510 0.424 0.000 1.127 202 N CA -0.051 53.257 53.050 0.429 0.000 0.834 202 N CB 0.357 39.052 38.487 0.346 0.000 1.014 202 N HN 0.531 nan 8.380 nan 0.000 0.491 203 T N -3.252 111.371 114.554 0.115 0.000 2.900 203 T HA 0.455 4.852 4.350 0.078 0.000 0.295 203 T C -2.551 171.559 174.700 -0.983 0.000 1.044 203 T CA -1.617 60.118 62.100 -0.608 0.000 0.995 203 T CB 3.101 71.510 68.868 -0.765 0.000 1.072 203 T HN -0.246 nan 8.240 nan 0.000 0.473 204 P HA 0.194 nan 4.420 nan 0.000 0.245 204 P C 0.532 177.342 177.300 -0.816 0.000 1.206 204 P CA 0.126 62.358 63.100 -1.447 0.000 0.781 204 P CB -0.003 30.755 31.700 -1.570 0.000 0.994 205 I N -4.516 115.557 120.570 -0.829 0.000 3.145 205 I HA 0.546 4.762 4.170 0.078 0.000 0.313 205 I C -1.260 174.607 176.117 -0.417 0.000 1.122 205 I CA -1.845 59.110 61.300 -0.574 0.000 0.987 205 I CB 1.634 39.258 38.000 -0.628 0.000 1.236 205 I HN -0.245 nan 8.210 nan 0.000 0.453 206 F N 0.809 120.495 119.950 -0.440 0.000 2.572 206 F HA 0.496 5.070 4.527 0.077 0.000 0.342 206 F C 0.377 175.963 175.800 -0.358 0.000 1.064 206 F CA -0.752 57.039 58.000 -0.348 0.000 1.008 206 F CB 1.817 40.721 39.000 -0.160 0.000 1.303 206 F HN 0.391 nan 8.300 nan 0.000 0.492 207 F N 2.200 121.517 119.950 -1.055 0.000 2.325 207 F HA 0.063 4.636 4.527 0.078 0.000 0.299 207 F C 0.600 176.140 175.800 -0.432 0.000 1.090 207 F CA 0.699 58.212 58.000 -0.812 0.000 1.392 207 F CB -0.171 38.030 39.000 -1.332 0.000 1.053 207 F HN 0.119 nan 8.300 nan 0.000 0.521 208 I N -3.585 116.969 120.570 -0.026 0.000 3.042 208 I HA 0.386 4.602 4.170 0.078 0.000 0.310 208 I C 0.231 176.476 176.117 0.212 0.000 1.117 208 I CA -0.867 60.510 61.300 0.128 0.000 1.003 208 I CB 1.982 40.097 38.000 0.193 0.000 1.228 208 I HN -0.203 nan 8.210 nan 0.000 0.443 209 Q N 0.255 120.183 119.800 0.213 0.000 2.349 209 Q HA 0.159 4.545 4.340 0.078 0.000 0.209 209 Q C -0.325 175.831 176.000 0.260 0.000 0.920 209 Q CA 0.603 56.565 55.803 0.265 0.000 0.901 209 Q CB 0.514 29.474 28.738 0.370 0.000 1.021 209 Q HN 0.618 nan 8.270 nan 0.000 0.519 210 D N -1.089 119.445 120.400 0.223 0.000 2.505 210 D HA 0.317 5.004 4.640 0.078 0.000 0.249 210 D C -0.025 176.399 176.300 0.208 0.000 1.082 210 D CA -0.242 53.867 54.000 0.181 0.000 0.839 210 D CB 1.830 42.715 40.800 0.142 0.000 1.317 210 D HN 0.055 nan 8.370 nan 0.000 0.497 211 A N 3.296 126.211 122.820 0.158 0.000 2.076 211 A HA -0.232 4.135 4.320 0.078 0.000 0.220 211 A C 1.782 179.479 177.584 0.188 0.000 1.160 211 A CA 1.663 53.784 52.037 0.140 0.000 0.653 211 A CB -0.737 18.291 19.000 0.046 0.000 0.801 211 A HN 0.815 nan 8.150 nan 0.000 0.455 212 H N 0.104 119.234 119.070 0.099 0.000 2.422 212 H HA -0.018 4.585 4.556 0.078 0.000 0.298 212 H C 1.513 176.918 175.328 0.129 0.000 1.098 212 H CA 1.900 58.000 56.048 0.086 0.000 1.315 212 H CB 0.082 29.873 29.762 0.049 0.000 1.382 212 H HN 0.383 nan 8.280 nan 0.000 0.523 213 K N -0.458 120.073 120.400 0.218 0.000 2.444 213 K HA -0.038 4.329 4.320 0.078 0.000 0.193 213 K C 1.337 178.085 176.600 0.247 0.000 1.024 213 K CA -0.048 56.369 56.287 0.217 0.000 1.077 213 K CB 0.060 32.732 32.500 0.287 0.000 0.833 213 K HN 0.301 nan 8.250 nan 0.000 0.517 214 F N 2.825 122.833 119.950 0.097 0.000 2.069 214 F HA -0.167 4.406 4.527 0.077 0.000 0.298 214 F C -0.908 174.921 175.800 0.049 0.000 1.113 214 F CA 1.493 59.574 58.000 0.136 0.000 1.214 214 F CB -0.524 38.547 39.000 0.119 0.000 0.978 214 F HN 0.030 nan 8.300 nan 0.000 0.474 215 P HA -0.163 nan 4.420 nan 0.000 0.216 215 P C 0.989 178.015 177.300 -0.456 0.000 1.150 215 P CA 1.904 64.799 63.100 -0.341 0.000 0.837 215 P CB -0.066 31.455 31.700 -0.299 0.000 0.786 216 D N -1.393 118.878 120.400 -0.216 0.000 2.084 216 D HA -0.143 4.544 4.640 0.078 0.000 0.196 216 D C 1.803 177.909 176.300 -0.322 0.000 0.985 216 D CA 1.056 54.979 54.000 -0.128 0.000 0.826 216 D CB -0.820 40.056 40.800 0.126 0.000 0.978 216 D HN 0.171 nan 8.370 nan 0.000 0.456 217 F N 1.869 121.487 119.950 -0.552 0.000 2.186 217 F HA -0.171 4.402 4.527 0.078 0.000 0.299 217 F C 2.094 177.530 175.800 -0.607 0.000 1.090 217 F CA 0.911 58.360 58.000 -0.919 0.000 1.307 217 F CB -0.132 38.467 39.000 -0.668 0.000 1.019 217 F HN -0.258 nan 8.300 nan 0.000 0.489 218 V N 0.426 119.974 119.914 -0.610 0.000 2.358 218 V HA -0.298 3.868 4.120 0.078 0.000 0.246 218 V C 2.293 178.192 176.094 -0.325 0.000 1.047 218 V CA 2.335 64.285 62.300 -0.582 0.000 1.035 218 V CB -1.071 30.445 31.823 -0.513 0.000 0.658 218 V HN 0.463 nan 8.190 nan 0.000 0.452 219 H N 0.004 118.873 119.070 -0.335 0.000 2.352 219 H HA -0.157 4.445 4.556 0.078 0.000 0.299 219 H C 2.347 177.538 175.328 -0.228 0.000 1.097 219 H CA 1.116 57.037 56.048 -0.212 0.000 1.311 219 H CB 0.016 29.705 29.762 -0.121 0.000 1.377 219 H HN 0.486 nan 8.280 nan 0.000 0.504 220 A N 0.461 123.138 122.820 -0.239 0.000 1.933 220 A HA -0.121 4.246 4.320 0.078 0.000 0.218 220 A C 2.537 179.994 177.584 -0.211 0.000 1.175 220 A CA 1.471 53.370 52.037 -0.230 0.000 0.628 220 A CB -0.741 18.032 19.000 -0.380 0.000 0.814 220 A HN 0.305 nan 8.150 nan 0.000 0.444 221 V N -0.149 119.510 119.914 -0.426 0.000 2.535 221 V HA -0.018 4.148 4.120 0.078 0.000 0.246 221 V C 0.959 176.994 176.094 -0.098 0.000 1.045 221 V CA 0.904 62.993 62.300 -0.353 0.000 1.058 221 V CB -0.482 30.913 31.823 -0.714 0.000 0.689 221 V HN 0.356 nan 8.190 nan 0.000 0.461 222 K N 1.026 121.339 120.400 -0.145 0.000 2.188 222 K HA 0.158 4.525 4.320 0.078 0.000 0.246 222 K C -2.254 174.296 176.600 -0.084 0.000 1.026 222 K CA -1.392 54.833 56.287 -0.103 0.000 0.871 222 K CB -0.693 31.743 32.500 -0.107 0.000 1.042 222 K HN 0.204 nan 8.250 nan 0.000 0.509 223 P HA -0.011 nan 4.420 nan 0.000 0.265 223 P C -0.588 176.652 177.300 -0.099 0.000 1.193 223 P CA 0.382 63.355 63.100 -0.212 0.000 0.765 223 P CB 0.278 31.854 31.700 -0.207 0.000 0.823 224 E N 5.778 125.956 120.200 -0.036 0.000 2.392 224 E HA -0.004 4.393 4.350 0.078 0.000 0.264 224 E C -1.268 175.403 176.600 0.118 0.000 1.024 224 E CA -1.350 55.136 56.400 0.143 0.000 0.903 224 E CB 0.094 29.998 29.700 0.341 0.000 0.963 224 E HN 0.431 nan 8.360 nan 0.000 0.432 225 P HA -0.210 nan 4.420 nan 0.000 0.221 225 P C 0.975 178.348 177.300 0.123 0.000 1.150 225 P CA 1.396 64.543 63.100 0.078 0.000 0.800 225 P CB 0.043 31.764 31.700 0.035 0.000 0.787 226 H N -0.683 118.421 119.070 0.057 0.000 2.299 226 H HA -0.082 4.521 4.556 0.078 0.000 0.302 226 H C 1.524 176.947 175.328 0.159 0.000 1.078 226 H CA 1.477 57.543 56.048 0.030 0.000 1.323 226 H CB -1.429 28.273 29.762 -0.100 0.000 1.381 226 H HN 0.320 nan 8.280 nan 0.000 0.498 227 W N 0.003 120.982 121.300 -0.534 0.000 2.870 227 W HA 0.702 5.409 4.660 0.078 0.000 0.358 227 W C 0.443 176.799 176.519 -0.272 0.000 1.043 227 W CA -1.181 55.950 57.345 -0.357 0.000 1.692 227 W CB -0.739 28.475 29.460 -0.409 0.000 1.100 227 W HN 0.441 nan 8.180 nan 0.000 0.557 228 A N 1.432 124.232 122.820 -0.033 0.000 2.610 228 A HA -0.154 4.213 4.320 0.078 0.000 0.299 228 A C -0.389 176.961 177.584 -0.390 0.000 1.487 228 A CA 1.446 53.378 52.037 -0.175 0.000 0.743 228 A CB -2.389 16.540 19.000 -0.118 0.000 1.070 228 A HN 0.469 nan 8.150 nan 0.000 0.439 229 I N 0.653 120.826 120.570 -0.662 0.000 2.582 229 I HA 0.550 4.767 4.170 0.078 0.000 0.292 229 I C -2.468 173.304 176.117 -0.575 0.000 1.066 229 I CA -2.252 58.553 61.300 -0.824 0.000 1.053 229 I CB 2.989 39.985 38.000 -1.673 0.000 1.241 229 I HN 0.238 nan 8.210 nan 0.000 0.421 230 P HA 0.335 nan 4.420 nan 0.000 0.292 230 P C -1.638 175.496 177.300 -0.276 0.000 1.308 230 P CA -0.915 61.955 63.100 -0.383 0.000 0.933 230 P CB 1.782 33.327 31.700 -0.259 0.000 1.217 231 Q N 0.504 120.188 119.800 -0.193 0.000 2.274 231 Q HA 0.501 4.887 4.340 0.078 0.000 0.256 231 Q C 0.988 176.944 176.000 -0.074 0.000 0.927 231 Q CA 0.806 56.531 55.803 -0.131 0.000 0.939 231 Q CB -0.370 28.299 28.738 -0.116 0.000 1.201 231 Q HN 0.816 nan 8.270 nan 0.000 0.426 232 G N 3.450 112.214 108.800 -0.061 0.000 2.225 232 G HA2 -0.291 3.715 3.960 0.078 0.000 0.267 232 G HA3 -0.291 3.715 3.960 0.078 0.000 0.267 232 G C -0.395 174.504 174.900 -0.002 0.000 1.024 232 G CA 0.548 45.633 45.100 -0.025 0.000 0.784 232 G HN 0.550 nan 8.290 nan 0.000 0.507 233 Q N -1.069 118.721 119.800 -0.018 0.000 2.315 233 Q HA 0.547 4.933 4.340 0.078 0.000 0.273 233 Q C 0.804 176.806 176.000 0.004 0.000 1.053 233 Q CA -0.126 55.694 55.803 0.030 0.000 0.817 233 Q CB 1.779 30.578 28.738 0.102 0.000 1.326 233 Q HN 0.465 nan 8.270 nan 0.000 0.423 234 S N -0.438 115.175 115.700 -0.146 0.000 2.593 234 S HA 0.189 4.706 4.470 0.078 0.000 0.217 234 S C 0.839 175.369 174.600 -0.116 0.000 0.966 234 S CA 0.000 57.913 58.200 -0.479 0.000 0.914 234 S CB 0.305 62.763 63.200 -1.236 0.000 0.776 234 S HN 0.582 nan 8.310 nan 0.000 0.523 235 A N 2.322 125.261 122.820 0.198 0.000 3.037 235 A HA 0.553 4.919 4.320 0.078 0.000 0.272 235 A C 0.077 177.886 177.584 0.375 0.000 1.723 235 A CA -0.586 51.655 52.037 0.340 0.000 1.413 235 A CB -1.158 17.994 19.000 0.254 0.000 1.112 235 A HN 0.903 nan 8.150 nan 0.000 0.606 236 H N -3.128 116.114 119.070 0.287 0.000 3.014 236 H HA 0.490 5.093 4.556 0.078 0.000 0.337 236 H C -0.285 175.223 175.328 0.301 0.000 1.320 236 H CA -0.679 55.510 56.048 0.236 0.000 1.128 236 H CB 0.212 30.075 29.762 0.169 0.000 1.862 236 H HN 0.084 nan 8.280 nan 0.000 0.536 237 D N 0.101 120.651 120.400 0.250 0.000 2.116 237 D HA -0.199 4.488 4.640 0.078 0.000 0.193 237 D C 2.069 178.419 176.300 0.083 0.000 0.998 237 D CA 3.048 57.142 54.000 0.156 0.000 0.836 237 D CB -0.395 40.481 40.800 0.127 0.000 0.951 237 D HN 0.785 nan 8.370 nan 0.000 0.449 238 T N -1.752 112.843 114.554 0.069 0.000 2.915 238 T HA -0.172 4.224 4.350 0.078 0.000 0.269 238 T C 1.848 176.496 174.700 -0.086 0.000 1.071 238 T CA 0.493 62.611 62.100 0.030 0.000 1.132 238 T CB -0.580 68.358 68.868 0.116 0.000 0.878 238 T HN 0.110 nan 8.240 nan 0.000 0.479 239 F N 1.077 120.749 119.950 -0.464 0.000 2.051 239 F HA 0.086 4.660 4.527 0.078 0.000 0.296 239 F C 1.884 177.434 175.800 -0.416 0.000 1.122 239 F CA 0.631 58.275 58.000 -0.593 0.000 1.201 239 F CB -0.767 37.687 39.000 -0.910 0.000 0.978 239 F HN 0.152 nan 8.300 nan 0.000 0.472 240 W N 0.649 121.863 121.300 -0.143 0.000 2.425 240 W HA -0.134 4.573 4.660 0.078 0.000 0.277 240 W C 2.344 178.776 176.519 -0.146 0.000 1.231 240 W CA 1.061 58.308 57.345 -0.163 0.000 1.248 240 W CB -0.710 28.737 29.460 -0.021 0.000 1.117 240 W HN 0.099 nan 8.180 nan 0.000 0.568 241 D N -0.480 119.956 120.400 0.060 0.000 2.092 241 D HA -0.302 4.384 4.640 0.078 0.000 0.193 241 D C 1.895 178.197 176.300 0.004 0.000 0.994 241 D CA 1.550 55.568 54.000 0.031 0.000 0.828 241 D CB -0.614 40.212 40.800 0.045 0.000 0.963 241 D HN 0.178 nan 8.370 nan 0.000 0.450 242 Y N 0.386 120.588 120.300 -0.163 0.000 2.181 242 Y HA -0.171 4.426 4.550 0.078 0.000 0.288 242 Y C 2.204 177.975 175.900 -0.216 0.000 1.146 242 Y CA 1.295 59.288 58.100 -0.179 0.000 1.164 242 Y CB -0.378 37.961 38.460 -0.201 0.000 0.982 242 Y HN -0.095 nan 8.280 nan 0.000 0.515 243 V N -0.038 119.771 119.914 -0.174 0.000 2.407 243 V HA -0.286 3.880 4.120 0.078 0.000 0.248 243 V C 2.585 178.636 176.094 -0.072 0.000 1.055 243 V CA 2.050 64.241 62.300 -0.181 0.000 1.049 243 V CB -1.055 30.547 31.823 -0.369 0.000 0.662 243 V HN 0.649 nan 8.190 nan 0.000 0.455 244 S N -0.366 115.323 115.700 -0.018 0.000 2.423 244 S HA -0.037 4.480 4.470 0.078 0.000 0.231 244 S C 1.751 176.313 174.600 -0.062 0.000 1.014 244 S CA 1.194 59.396 58.200 0.004 0.000 0.965 244 S CB -0.387 62.839 63.200 0.042 0.000 0.785 244 S HN 0.546 nan 8.310 nan 0.000 0.495 245 L N 0.090 121.233 121.223 -0.134 0.000 2.529 245 L HA 0.293 4.680 4.340 0.078 0.000 0.223 245 L C 0.514 177.224 176.870 -0.267 0.000 1.113 245 L CA 0.218 54.953 54.840 -0.176 0.000 0.861 245 L CB 0.033 41.984 42.059 -0.180 0.000 1.012 245 L HN 0.279 nan 8.230 nan 0.000 0.461 246 Q N 0.414 120.018 119.800 -0.326 0.000 2.932 246 Q HA 0.232 4.618 4.340 0.078 0.000 0.248 246 Q C -1.934 173.875 176.000 -0.319 0.000 0.982 246 Q CA -1.515 54.066 55.803 -0.369 0.000 0.730 246 Q CB 1.488 29.935 28.738 -0.484 0.000 1.249 246 Q HN -0.003 nan 8.270 nan 0.000 0.476 247 P HA -0.226 nan 4.420 nan 0.000 0.226 247 P C 0.935 177.934 177.300 -0.501 0.000 1.146 247 P CA 1.127 63.984 63.100 -0.406 0.000 0.773 247 P CB 0.274 31.684 31.700 -0.484 0.000 0.772 248 E N 0.684 120.520 120.200 -0.607 0.000 2.204 248 E HA -0.160 4.237 4.350 0.078 0.000 0.195 248 E C 1.569 178.139 176.600 -0.049 0.000 0.990 248 E CA 1.763 58.026 56.400 -0.228 0.000 0.821 248 E CB -1.246 28.387 29.700 -0.113 0.000 0.750 248 E HN 0.269 nan 8.360 nan 0.000 0.477 249 T N -0.650 113.883 114.554 -0.035 0.000 3.072 249 T HA 0.027 4.423 4.350 0.078 0.000 0.266 249 T C 1.918 176.704 174.700 0.143 0.000 1.127 249 T CA 0.385 62.535 62.100 0.084 0.000 1.107 249 T CB -0.315 68.629 68.868 0.127 0.000 0.910 249 T HN 0.162 nan 8.240 nan 0.000 0.513 250 L N -0.085 121.220 121.223 0.137 0.000 2.141 250 L HA -0.032 4.355 4.340 0.078 0.000 0.209 250 L C 2.842 179.882 176.870 0.284 0.000 1.094 250 L CA 1.635 56.620 54.840 0.242 0.000 0.763 250 L CB -0.810 41.402 42.059 0.254 0.000 0.908 250 L HN 0.476 nan 8.230 nan 0.000 0.437 251 H N 0.312 119.436 119.070 0.089 0.000 2.293 251 H HA -0.208 4.395 4.556 0.078 0.000 0.300 251 H C 2.124 177.458 175.328 0.010 0.000 1.082 251 H CA 1.855 57.949 56.048 0.077 0.000 1.308 251 H CB 0.227 30.005 29.762 0.028 0.000 1.375 251 H HN 0.374 nan 8.280 nan 0.000 0.495 252 N N -0.228 118.304 118.700 -0.280 0.000 2.244 252 N HA -0.127 4.659 4.740 0.078 0.000 0.183 252 N C 1.940 177.298 175.510 -0.253 0.000 1.016 252 N CA 0.728 53.410 53.050 -0.613 0.000 0.866 252 N CB 0.281 37.929 38.487 -1.398 0.000 0.980 252 N HN 0.115 nan 8.380 nan 0.000 0.430 253 V N 1.562 121.545 119.914 0.114 0.000 2.343 253 V HA -0.255 3.912 4.120 0.078 0.000 0.247 253 V C 2.452 178.668 176.094 0.203 0.000 1.051 253 V CA 1.255 63.747 62.300 0.321 0.000 1.036 253 V CB -0.358 31.725 31.823 0.434 0.000 0.654 253 V HN 0.406 nan 8.190 nan 0.000 0.451 254 M N -1.583 118.164 119.600 0.245 0.000 2.080 254 M HA -0.203 4.323 4.480 0.078 0.000 0.260 254 M C 2.101 178.389 176.300 -0.020 0.000 1.068 254 M CA 1.903 57.337 55.300 0.223 0.000 1.109 254 M CB -1.233 31.523 32.600 0.259 0.000 1.342 254 M HN 0.461 nan 8.290 nan 0.000 0.405 255 W N 0.482 121.525 121.300 -0.428 0.000 2.358 255 W HA -0.099 4.608 4.660 0.078 0.000 0.303 255 W C 2.751 179.195 176.519 -0.124 0.000 1.208 255 W CA 1.856 58.929 57.345 -0.453 0.000 1.274 255 W CB -0.838 28.290 29.460 -0.554 0.000 1.138 255 W HN 0.289 nan 8.180 nan 0.000 0.515 256 A N -0.918 121.979 122.820 0.128 0.000 2.014 256 A HA -0.116 4.251 4.320 0.078 0.000 0.218 256 A C 1.884 179.504 177.584 0.060 0.000 1.163 256 A CA 1.267 53.374 52.037 0.117 0.000 0.652 256 A CB -0.461 18.633 19.000 0.158 0.000 0.808 256 A HN 0.088 nan 8.150 nan 0.000 0.449 257 M N 0.522 120.115 119.600 -0.011 0.000 2.506 257 M HA 0.045 4.572 4.480 0.078 0.000 0.260 257 M C 1.435 177.753 176.300 0.029 0.000 1.104 257 M CA 0.686 55.919 55.300 -0.113 0.000 1.112 257 M CB -1.206 31.104 32.600 -0.483 0.000 1.401 257 M HN 0.527 nan 8.290 nan 0.000 0.473 258 S N 0.299 116.080 115.700 0.135 0.000 2.641 258 S HA 0.097 4.613 4.470 0.078 0.000 0.261 258 S C 0.709 175.430 174.600 0.202 0.000 1.257 258 S CA -0.374 57.955 58.200 0.214 0.000 0.983 258 S CB 0.963 64.341 63.200 0.297 0.000 0.990 258 S HN 0.171 nan 8.310 nan 0.000 0.572 259 D N 0.200 120.743 120.400 0.238 0.000 2.378 259 D HA 0.025 4.711 4.640 0.078 0.000 0.222 259 D C 1.882 178.322 176.300 0.233 0.000 0.980 259 D CA 0.361 54.520 54.000 0.265 0.000 0.907 259 D CB -0.165 40.860 40.800 0.375 0.000 0.899 259 D HN 0.378 nan 8.370 nan 0.000 0.527 260 R N 0.224 120.860 120.500 0.228 0.000 2.127 260 R HA -0.058 4.329 4.340 0.078 0.000 0.238 260 R C 2.100 178.544 176.300 0.239 0.000 1.134 260 R CA 1.060 57.317 56.100 0.262 0.000 0.975 260 R CB -0.814 29.716 30.300 0.384 0.000 0.865 260 R HN 0.198 nan 8.270 nan 0.000 0.447 261 G N 1.347 110.272 108.800 0.209 0.000 2.679 261 G HA2 -0.053 3.954 3.960 0.078 0.000 0.212 261 G HA3 -0.053 3.954 3.960 0.078 0.000 0.212 261 G C 1.020 176.039 174.900 0.199 0.000 1.137 261 G CA 0.216 45.424 45.100 0.180 0.000 0.787 261 G HN 0.424 nan 8.290 nan 0.000 0.534 262 I N -2.042 118.660 120.570 0.219 0.000 2.917 262 I HA 0.344 4.560 4.170 0.078 0.000 0.292 262 I C -2.856 173.399 176.117 0.230 0.000 1.510 262 I CA -2.541 58.898 61.300 0.231 0.000 0.858 262 I CB 1.786 39.933 38.000 0.245 0.000 1.862 262 I HN -0.252 nan 8.210 nan 0.000 0.615 263 P HA 0.075 nan 4.420 nan 0.000 0.271 263 P C 0.500 177.940 177.300 0.233 0.000 1.218 263 P CA -0.166 63.034 63.100 0.166 0.000 0.780 263 P CB 1.430 33.167 31.700 0.063 0.000 0.901 264 R N 1.835 122.451 120.500 0.193 0.000 2.115 264 R HA 0.031 4.417 4.340 0.078 0.000 0.230 264 R C 0.472 176.933 176.300 0.269 0.000 1.111 264 R CA 1.373 57.630 56.100 0.262 0.000 0.976 264 R CB -0.379 30.038 30.300 0.195 0.000 0.870 264 R HN 0.553 nan 8.270 nan 0.000 0.445 265 S N -3.179 112.496 115.700 -0.041 0.000 2.578 265 S HA 0.219 4.735 4.470 0.078 0.000 0.272 265 S C -0.519 173.805 174.600 -0.461 0.000 1.145 265 S CA -0.843 57.171 58.200 -0.309 0.000 0.835 265 S CB 0.026 63.166 63.200 -0.100 0.000 1.104 265 S HN 0.093 nan 8.310 nan 0.000 0.458 266 Y N 1.880 121.840 120.300 -0.567 0.000 2.352 266 Y HA 0.112 4.708 4.550 0.077 0.000 0.292 266 Y C 2.370 177.924 175.900 -0.577 0.000 1.136 266 Y CA 1.066 58.685 58.100 -0.803 0.000 1.227 266 Y CB -0.271 37.429 38.460 -1.266 0.000 0.991 266 Y HN 0.541 nan 8.280 nan 0.000 0.545 267 R N -0.533 119.849 120.500 -0.196 0.000 2.189 267 R HA -0.038 4.349 4.340 0.078 0.000 0.218 267 R C 0.926 177.174 176.300 -0.087 0.000 1.074 267 R CA 1.490 57.512 56.100 -0.130 0.000 0.991 267 R CB -0.344 29.886 30.300 -0.118 0.000 0.883 267 R HN 0.287 nan 8.270 nan 0.000 0.457 268 T N -1.119 113.401 114.554 -0.058 0.000 3.327 268 T HA 0.440 4.836 4.350 0.078 0.000 0.244 268 T C 0.019 174.745 174.700 0.043 0.000 1.074 268 T CA -0.707 61.389 62.100 -0.008 0.000 1.156 268 T CB -0.162 68.693 68.868 -0.022 0.000 1.087 268 T HN 0.085 nan 8.240 nan 0.000 0.575 269 M N -1.234 118.433 119.600 0.111 0.000 2.569 269 M HA 0.713 5.240 4.480 0.078 0.000 0.279 269 M C -1.429 175.030 176.300 0.266 0.000 1.253 269 M CA -0.915 54.488 55.300 0.172 0.000 0.867 269 M CB 2.051 34.742 32.600 0.151 0.000 1.727 269 M HN -0.072 nan 8.290 nan 0.000 0.467 270 E N 0.491 120.848 120.200 0.263 0.000 2.312 270 E HA 0.723 5.119 4.350 0.078 0.000 0.259 270 E C -0.244 176.439 176.600 0.139 0.000 1.122 270 E CA -0.815 55.680 56.400 0.158 0.000 0.922 270 E CB 1.629 31.303 29.700 -0.042 0.000 1.109 270 E HN 0.846 nan 8.360 nan 0.000 0.442 271 G N 0.543 109.278 108.800 -0.107 0.000 2.524 271 G HA2 0.643 4.649 3.960 0.078 0.000 0.310 271 G HA3 0.643 4.649 3.960 0.078 0.000 0.310 271 G C -1.488 173.108 174.900 -0.507 0.000 1.279 271 G CA -0.482 44.539 45.100 -0.132 0.000 0.974 271 G HN 0.287 nan 8.290 nan 0.000 0.484 272 F N -0.420 119.488 119.950 -0.070 0.000 2.608 272 F HA 0.500 5.073 4.527 0.077 0.000 0.309 272 F C 0.978 176.697 175.800 -0.135 0.000 1.103 272 F CA -0.552 57.334 58.000 -0.189 0.000 0.954 272 F CB 2.572 41.416 39.000 -0.261 0.000 1.267 272 F HN 0.616 nan 8.300 nan 0.000 0.444 273 G N 0.978 109.837 108.800 0.099 0.000 2.880 273 G HA2 0.191 4.198 3.960 0.078 0.000 0.209 273 G HA3 0.191 4.198 3.960 0.078 0.000 0.209 273 G C 1.197 176.138 174.900 0.069 0.000 1.157 273 G CA 0.672 45.861 45.100 0.148 0.000 0.779 273 G HN 0.795 nan 8.290 nan 0.000 0.539 274 I N -0.853 119.689 120.570 -0.047 0.000 4.608 274 I HA -0.339 3.878 4.170 0.078 0.000 0.051 274 I C 0.646 176.617 176.117 -0.244 0.000 0.619 274 I CA 1.589 62.741 61.300 -0.247 0.000 0.844 274 I CB -1.259 36.472 38.000 -0.449 0.000 0.772 274 I HN 0.267 nan 8.210 nan 0.000 0.161 275 H N 2.304 121.350 119.070 -0.040 0.000 2.679 275 H HA 0.230 4.832 4.556 0.077 0.000 0.369 275 H C 0.150 175.388 175.328 -0.149 0.000 1.178 275 H CA 0.586 56.531 56.048 -0.173 0.000 1.419 275 H CB 0.352 29.871 29.762 -0.405 0.000 1.458 275 H HN 0.211 nan 8.280 nan 0.000 0.605 276 T N 3.477 117.993 114.554 -0.064 0.000 2.851 276 T HA 0.238 4.635 4.350 0.078 0.000 0.298 276 T C 0.294 174.931 174.700 -0.106 0.000 0.977 276 T CA -0.027 62.036 62.100 -0.061 0.000 1.126 276 T CB 0.005 68.806 68.868 -0.111 0.000 0.916 276 T HN 0.237 nan 8.240 nan 0.000 0.529 277 F N 1.045 120.976 119.950 -0.032 0.000 2.629 277 F HA 0.652 5.225 4.527 0.077 0.000 0.386 277 F C 1.046 176.818 175.800 -0.046 0.000 1.135 277 F CA -1.319 56.683 58.000 0.004 0.000 1.116 277 F CB 1.338 40.343 39.000 0.008 0.000 1.426 277 F HN 0.191 nan 8.300 nan 0.000 0.501 278 R N 0.552 121.127 120.500 0.124 0.000 2.670 278 R HA 0.640 5.026 4.340 0.078 0.000 0.289 278 R C -1.641 174.551 176.300 -0.179 0.000 0.965 278 R CA -0.829 55.202 56.100 -0.115 0.000 0.899 278 R CB 1.937 32.104 30.300 -0.223 0.000 1.173 278 R HN 0.446 nan 8.270 nan 0.000 0.456 279 L N 3.912 124.981 121.223 -0.257 0.000 2.317 279 L HA 0.549 4.935 4.340 0.078 0.000 0.281 279 L C -0.627 176.099 176.870 -0.240 0.000 1.024 279 L CA -0.887 53.808 54.840 -0.243 0.000 0.810 279 L CB 1.516 43.432 42.059 -0.239 0.000 1.240 279 L HN 0.389 nan 8.230 nan 0.000 0.427 280 I N 2.754 123.205 120.570 -0.199 0.000 2.447 280 I HA 0.282 4.499 4.170 0.078 0.000 0.287 280 I C -0.318 175.722 176.117 -0.128 0.000 1.023 280 I CA -0.762 60.429 61.300 -0.181 0.000 1.083 280 I CB 1.434 39.333 38.000 -0.169 0.000 1.245 280 I HN 0.599 nan 8.210 nan 0.000 0.434 281 N N 4.731 123.369 118.700 -0.104 0.000 2.448 281 N HA 0.383 5.169 4.740 0.078 0.000 0.274 281 N C 0.866 176.340 175.510 -0.060 0.000 1.239 281 N CA -0.322 52.683 53.050 -0.074 0.000 0.982 281 N CB 0.687 39.139 38.487 -0.059 0.000 1.199 281 N HN 0.549 nan 8.380 nan 0.000 0.576 282 A N -0.514 122.278 122.820 -0.047 0.000 2.024 282 A HA -0.132 4.234 4.320 0.078 0.000 0.220 282 A C 1.440 179.005 177.584 -0.032 0.000 1.164 282 A CA 1.413 53.428 52.037 -0.038 0.000 0.643 282 A CB -0.678 18.305 19.000 -0.028 0.000 0.806 282 A HN 0.707 nan 8.150 nan 0.000 0.451 283 E N -1.481 118.702 120.200 -0.028 0.000 2.489 283 E HA 0.293 4.690 4.350 0.078 0.000 0.193 283 E C 1.116 177.707 176.600 -0.015 0.000 1.057 283 E CA 0.625 57.013 56.400 -0.020 0.000 0.866 283 E CB -0.107 29.582 29.700 -0.017 0.000 0.916 283 E HN 0.747 nan 8.360 nan 0.000 0.500 284 G N 1.531 110.320 108.800 -0.018 0.000 2.132 284 G HA2 -0.335 3.672 3.960 0.078 0.000 0.228 284 G HA3 -0.335 3.672 3.960 0.078 0.000 0.228 284 G C 0.187 175.107 174.900 0.032 0.000 1.000 284 G CA 0.348 45.453 45.100 0.009 0.000 0.693 284 G HN 0.285 nan 8.290 nan 0.000 0.515 285 K N 0.410 120.796 120.400 -0.023 0.000 2.205 285 K HA 0.731 5.098 4.320 0.078 0.000 0.279 285 K C 0.546 177.048 176.600 -0.162 0.000 1.027 285 K CA 0.050 56.308 56.287 -0.048 0.000 0.932 285 K CB 0.921 33.391 32.500 -0.050 0.000 1.032 285 K HN 0.687 nan 8.250 nan 0.000 0.466 286 A N 3.181 125.825 122.820 -0.293 0.000 2.306 286 A HA 0.451 4.817 4.320 0.078 0.000 0.314 286 A C -0.823 176.488 177.584 -0.453 0.000 1.164 286 A CA -0.535 51.166 52.037 -0.559 0.000 0.822 286 A CB 1.069 19.353 19.000 -1.192 0.000 1.130 286 A HN 0.750 nan 8.150 nan 0.000 0.496 287 T N 2.461 116.764 114.554 -0.419 0.000 2.881 287 T HA 0.463 4.860 4.350 0.078 0.000 0.291 287 T C -0.683 173.837 174.700 -0.300 0.000 0.990 287 T CA -0.149 61.762 62.100 -0.315 0.000 0.976 287 T CB 0.205 68.972 68.868 -0.168 0.000 0.970 287 T HN 0.347 nan 8.240 nan 0.000 0.438 288 F N 2.414 122.274 119.950 -0.151 0.000 2.572 288 F HA 0.419 4.993 4.527 0.077 0.000 0.370 288 F C 0.671 176.362 175.800 -0.180 0.000 1.103 288 F CA -0.137 57.774 58.000 -0.148 0.000 1.286 288 F CB 0.442 39.378 39.000 -0.107 0.000 1.105 288 F HN 0.218 nan 8.300 nan 0.000 0.583 289 V N 5.004 124.894 119.914 -0.041 0.000 2.888 289 V HA 0.597 4.764 4.120 0.078 0.000 0.309 289 V C -0.940 174.951 176.094 -0.339 0.000 1.114 289 V CA -0.816 61.314 62.300 -0.282 0.000 0.940 289 V CB 2.136 33.567 31.823 -0.653 0.000 1.021 289 V HN 0.770 nan 8.190 nan 0.000 0.426 290 R N 4.486 124.827 120.500 -0.264 0.000 2.562 290 R HA 0.575 4.961 4.340 0.078 0.000 0.298 290 R C -1.615 174.573 176.300 -0.187 0.000 0.961 290 R CA -0.482 55.502 56.100 -0.193 0.000 0.881 290 R CB 2.044 32.338 30.300 -0.010 0.000 1.159 290 R HN 0.594 nan 8.270 nan 0.000 0.450 291 F N 2.277 122.266 119.950 0.066 0.000 2.394 291 F HA 0.342 4.916 4.527 0.078 0.000 0.340 291 F C 0.901 176.646 175.800 -0.092 0.000 1.105 291 F CA -0.039 57.956 58.000 -0.009 0.000 1.124 291 F CB 0.890 39.786 39.000 -0.174 0.000 1.145 291 F HN 0.215 nan 8.300 nan 0.000 0.505 292 H N 1.249 120.326 119.070 0.011 0.000 2.768 292 H HA 0.257 4.860 4.556 0.078 0.000 0.371 292 H C -1.538 173.599 175.328 -0.319 0.000 1.151 292 H CA -0.994 54.966 56.048 -0.146 0.000 1.165 292 H CB 1.963 31.712 29.762 -0.022 0.000 1.722 292 H HN 0.662 nan 8.280 nan 0.000 0.543 293 W N 2.468 123.702 121.300 -0.111 0.000 2.538 293 W HA 0.307 5.014 4.660 0.078 0.000 0.322 293 W C -0.116 176.443 176.519 0.066 0.000 1.028 293 W CA -0.728 56.583 57.345 -0.057 0.000 1.228 293 W CB 1.716 30.984 29.460 -0.321 0.000 1.356 293 W HN 0.236 nan 8.180 nan 0.000 0.452 294 K N 5.984 126.652 120.400 0.445 0.000 2.307 294 K HA 0.397 4.763 4.320 0.078 0.000 0.263 294 K C -2.521 174.304 176.600 0.375 0.000 0.973 294 K CA -1.866 54.620 56.287 0.331 0.000 0.846 294 K CB 1.724 34.366 32.500 0.236 0.000 1.100 294 K HN 0.073 nan 8.250 nan 0.000 0.438 295 P HA 0.062 nan 4.420 nan 0.000 0.276 295 P C 0.485 177.805 177.300 0.033 0.000 1.243 295 P CA -0.167 63.013 63.100 0.132 0.000 0.768 295 P CB 0.918 32.699 31.700 0.135 0.000 0.856 296 L N 2.790 123.974 121.223 -0.066 0.000 2.395 296 L HA -0.049 4.337 4.340 0.078 0.000 0.218 296 L C 2.194 179.045 176.870 -0.031 0.000 1.130 296 L CA 1.085 55.914 54.840 -0.018 0.000 0.826 296 L CB -0.437 41.611 42.059 -0.017 0.000 0.941 296 L HN 0.373 nan 8.230 nan 0.000 0.451 297 A N -0.172 122.603 122.820 -0.076 0.000 2.251 297 A HA 0.415 4.781 4.320 0.078 0.000 0.209 297 A C 1.206 178.787 177.584 -0.006 0.000 1.187 297 A CA 0.653 52.662 52.037 -0.046 0.000 0.823 297 A CB -0.340 18.615 19.000 -0.074 0.000 0.846 297 A HN 0.440 nan 8.150 nan 0.000 0.486 298 G N -0.568 108.241 108.800 0.016 0.000 2.757 298 G HA2 -0.132 3.874 3.960 0.078 0.000 0.638 298 G HA3 -0.132 3.874 3.960 0.078 0.000 0.638 298 G C -0.657 174.268 174.900 0.040 0.000 1.344 298 G CA -0.441 44.686 45.100 0.045 0.000 0.855 298 G HN 0.442 nan 8.290 nan 0.000 0.537 299 K N 0.279 120.706 120.400 0.044 0.000 2.240 299 K HA 0.709 5.076 4.320 0.078 0.000 0.271 299 K C 0.181 176.760 176.600 -0.036 0.000 1.018 299 K CA 0.196 56.490 56.287 0.011 0.000 0.874 299 K CB 1.729 34.223 32.500 -0.009 0.000 1.098 299 K HN 1.320 nan 8.250 nan 0.000 0.458 300 A N 1.888 124.676 122.820 -0.054 0.000 2.574 300 A HA 0.697 5.064 4.320 0.078 0.000 0.297 300 A C -1.062 176.539 177.584 0.027 0.000 1.062 300 A CA -0.661 51.298 52.037 -0.130 0.000 0.686 300 A CB 1.820 20.507 19.000 -0.523 0.000 1.285 300 A HN 0.524 nan 8.150 nan 0.000 0.403 301 S N -0.064 115.787 115.700 0.252 0.000 2.667 301 S HA 0.765 5.282 4.470 0.078 0.000 0.292 301 S C -0.282 174.603 174.600 0.476 0.000 1.126 301 S CA -0.562 57.844 58.200 0.344 0.000 0.881 301 S CB 1.207 64.615 63.200 0.347 0.000 1.132 301 S HN 0.639 nan 8.310 nan 0.000 0.492 302 L N 1.082 122.491 121.223 0.309 0.000 2.567 302 L HA 0.662 5.048 4.340 0.078 0.000 0.238 302 L C -0.262 176.715 176.870 0.179 0.000 1.168 302 L CA -0.904 54.048 54.840 0.186 0.000 0.817 302 L CB 0.321 42.396 42.059 0.026 0.000 1.409 302 L HN 0.489 nan 8.230 nan 0.000 0.502 303 V N -3.490 116.429 119.914 0.009 0.000 2.815 303 V HA 0.203 4.369 4.120 0.078 0.000 0.314 303 V C 0.664 176.711 176.094 -0.078 0.000 1.064 303 V CA -0.861 61.426 62.300 -0.022 0.000 0.952 303 V CB 1.599 33.379 31.823 -0.071 0.000 1.020 303 V HN 0.922 nan 8.190 nan 0.000 0.439 304 W N 2.211 123.380 121.300 -0.219 0.000 2.289 304 W HA -0.313 4.393 4.660 0.077 0.000 0.331 304 W C 1.913 178.275 176.519 -0.263 0.000 1.283 304 W CA 2.841 60.049 57.345 -0.229 0.000 1.252 304 W CB -0.189 29.124 29.460 -0.246 0.000 1.153 304 W HN 1.014 nan 8.180 nan 0.000 0.467 305 D N 0.013 120.138 120.400 -0.457 0.000 2.149 305 D HA -0.312 4.374 4.640 0.078 0.000 0.194 305 D C 2.127 178.081 176.300 -0.577 0.000 1.001 305 D CA 2.361 56.052 54.000 -0.515 0.000 0.849 305 D CB -0.558 40.161 40.800 -0.135 0.000 0.939 305 D HN 0.407 nan 8.370 nan 0.000 0.449 306 E N -0.684 119.089 120.200 -0.713 0.000 2.047 306 E HA -0.163 4.234 4.350 0.078 0.000 0.191 306 E C 2.033 178.315 176.600 -0.531 0.000 0.987 306 E CA 0.908 56.849 56.400 -0.765 0.000 0.799 306 E CB -0.193 28.935 29.700 -0.953 0.000 0.752 306 E HN 0.327 nan 8.360 nan 0.000 0.449 307 A N 1.288 123.812 122.820 -0.494 0.000 1.858 307 A HA -0.262 4.104 4.320 0.078 0.000 0.216 307 A C 2.188 179.458 177.584 -0.523 0.000 1.190 307 A CA 1.817 53.611 52.037 -0.405 0.000 0.617 307 A CB -0.770 18.107 19.000 -0.205 0.000 0.827 307 A HN 0.411 nan 8.150 nan 0.000 0.443 308 Q N -0.609 118.656 119.800 -0.891 0.000 2.084 308 Q HA -0.196 4.191 4.340 0.078 0.000 0.202 308 Q C 2.152 177.875 176.000 -0.462 0.000 0.978 308 Q CA 1.741 57.057 55.803 -0.812 0.000 0.844 308 Q CB -0.141 27.811 28.738 -1.311 0.000 0.898 308 Q HN 0.612 nan 8.270 nan 0.000 0.426 309 K N 0.130 120.281 120.400 -0.414 0.000 2.148 309 K HA -0.142 4.225 4.320 0.078 0.000 0.204 309 K C 2.014 178.480 176.600 -0.224 0.000 1.050 309 K CA 0.585 56.720 56.287 -0.254 0.000 0.942 309 K CB -0.023 32.365 32.500 -0.187 0.000 0.724 309 K HN 0.188 nan 8.250 nan 0.000 0.446 310 L N 1.354 122.406 121.223 -0.286 0.000 2.217 310 L HA -0.121 4.265 4.340 0.078 0.000 0.211 310 L C 2.258 179.001 176.870 -0.211 0.000 1.107 310 L CA 1.988 56.660 54.840 -0.281 0.000 0.783 310 L CB -0.984 40.825 42.059 -0.417 0.000 0.919 310 L HN 0.269 nan 8.230 nan 0.000 0.442 311 T N -4.220 110.213 114.554 -0.201 0.000 2.803 311 T HA -0.097 4.299 4.350 0.078 0.000 0.269 311 T C 1.860 176.499 174.700 -0.102 0.000 1.052 311 T CA 1.115 63.134 62.100 -0.134 0.000 1.136 311 T CB -0.973 67.825 68.868 -0.117 0.000 0.864 311 T HN 0.367 nan 8.240 nan 0.000 0.467 312 G N 1.106 109.841 108.800 -0.109 0.000 2.437 312 G HA2 0.006 4.012 3.960 0.078 0.000 0.212 312 G HA3 0.006 4.012 3.960 0.078 0.000 0.212 312 G C 1.925 176.784 174.900 -0.067 0.000 1.174 312 G CA -0.213 44.839 45.100 -0.080 0.000 0.811 312 G HN 0.317 nan 8.290 nan 0.000 0.537 313 R N 0.354 120.807 120.500 -0.079 0.000 2.075 313 R HA 0.010 4.397 4.340 0.078 0.000 0.232 313 R C -0.078 176.201 176.300 -0.035 0.000 1.126 313 R CA 1.046 57.112 56.100 -0.056 0.000 0.963 313 R CB -0.282 29.977 30.300 -0.070 0.000 0.858 313 R HN 0.341 nan 8.270 nan 0.000 0.435 314 D N -0.539 119.837 120.400 -0.041 0.000 2.381 314 D HA 0.159 4.846 4.640 0.078 0.000 0.245 314 D C -2.078 174.226 176.300 0.006 0.000 1.297 314 D CA -1.912 52.095 54.000 0.011 0.000 0.931 314 D CB 1.292 42.149 40.800 0.096 0.000 1.334 314 D HN -0.167 nan 8.370 nan 0.000 0.535 315 P HA -0.036 nan 4.420 nan 0.000 0.221 315 P C 0.025 177.329 177.300 0.007 0.000 1.145 315 P CA 0.828 63.917 63.100 -0.018 0.000 0.795 315 P CB 0.424 32.110 31.700 -0.023 0.000 0.775 316 D N -1.507 118.908 120.400 0.024 0.000 2.587 316 D HA 0.080 4.766 4.640 0.078 0.000 0.233 316 D C 1.102 177.441 176.300 0.065 0.000 1.213 316 D CA -0.456 53.566 54.000 0.037 0.000 0.827 316 D CB -0.515 40.287 40.800 0.002 0.000 1.006 316 D HN 0.108 nan 8.370 nan 0.000 0.490 317 F N 1.214 121.105 119.950 -0.099 0.000 2.095 317 F HA -0.216 4.357 4.527 0.077 0.000 0.298 317 F C 2.057 177.812 175.800 -0.075 0.000 1.104 317 F CA 1.838 59.770 58.000 -0.113 0.000 1.232 317 F CB 0.051 38.938 39.000 -0.188 0.000 0.987 317 F HN 0.116 nan 8.300 nan 0.000 0.475 318 H N -1.180 117.874 119.070 -0.028 0.000 2.389 318 H HA -0.090 4.513 4.556 0.077 0.000 0.299 318 H C 2.379 177.648 175.328 -0.098 0.000 1.081 318 H CA 1.031 56.922 56.048 -0.262 0.000 1.345 318 H CB -0.114 29.274 29.762 -0.622 0.000 1.393 318 H HN 0.176 nan 8.280 nan 0.000 0.520 319 R N 1.181 121.797 120.500 0.192 0.000 2.081 319 R HA -0.119 4.267 4.340 0.078 0.000 0.235 319 R C 2.425 178.839 176.300 0.190 0.000 1.131 319 R CA 1.200 57.457 56.100 0.262 0.000 0.960 319 R CB -0.015 30.421 30.300 0.226 0.000 0.856 319 R HN 0.200 nan 8.270 nan 0.000 0.436 320 R N 0.370 120.903 120.500 0.056 0.000 2.073 320 R HA -0.149 4.238 4.340 0.078 0.000 0.234 320 R C 2.170 178.471 176.300 0.001 0.000 1.134 320 R CA 1.675 57.781 56.100 0.009 0.000 0.952 320 R CB -0.231 30.027 30.300 -0.069 0.000 0.850 320 R HN 0.249 nan 8.270 nan 0.000 0.433 321 E N 0.706 120.812 120.200 -0.157 0.000 2.077 321 E HA -0.209 4.188 4.350 0.078 0.000 0.193 321 E C 2.003 178.592 176.600 -0.019 0.000 0.989 321 E CA 1.191 57.473 56.400 -0.198 0.000 0.800 321 E CB -0.093 29.340 29.700 -0.444 0.000 0.746 321 E HN 0.281 nan 8.360 nan 0.000 0.452 322 L N 0.545 121.809 121.223 0.069 0.000 2.056 322 L HA -0.108 4.279 4.340 0.078 0.000 0.207 322 L C 2.248 179.224 176.870 0.177 0.000 1.078 322 L CA 1.631 56.551 54.840 0.135 0.000 0.749 322 L CB -0.738 41.462 42.059 0.235 0.000 0.901 322 L HN 0.271 nan 8.230 nan 0.000 0.433 323 W N 0.968 122.308 121.300 0.066 0.000 2.355 323 W HA -0.184 4.523 4.660 0.079 0.000 0.309 323 W C 2.169 178.718 176.519 0.050 0.000 1.206 323 W CA 2.094 59.485 57.345 0.076 0.000 1.284 323 W CB -0.086 29.421 29.460 0.079 0.000 1.145 323 W HN 0.338 nan 8.180 nan 0.000 0.502 324 E N 0.055 120.427 120.200 0.286 0.000 2.106 324 E HA -0.144 4.252 4.350 0.078 0.000 0.192 324 E C 2.347 178.983 176.600 0.061 0.000 0.984 324 E CA 1.125 57.616 56.400 0.152 0.000 0.806 324 E CB -0.386 29.357 29.700 0.070 0.000 0.750 324 E HN 0.177 nan 8.360 nan 0.000 0.458 325 A N 1.352 124.206 122.820 0.055 0.000 1.902 325 A HA -0.176 4.190 4.320 0.078 0.000 0.217 325 A C 2.156 179.769 177.584 0.048 0.000 1.181 325 A CA 1.118 53.181 52.037 0.044 0.000 0.623 325 A CB -0.527 18.500 19.000 0.044 0.000 0.818 325 A HN 0.138 nan 8.150 nan 0.000 0.443 326 I N -0.697 119.915 120.570 0.069 0.000 2.353 326 I HA -0.185 4.031 4.170 0.078 0.000 0.248 326 I C 2.400 178.574 176.117 0.094 0.000 1.119 326 I CA 1.103 62.485 61.300 0.137 0.000 1.417 326 I CB -0.363 37.654 38.000 0.029 0.000 1.078 326 I HN 0.420 nan 8.210 nan 0.000 0.421 327 E N 0.993 121.201 120.200 0.013 0.000 2.150 327 E HA -0.175 4.222 4.350 0.078 0.000 0.193 327 E C 2.194 178.807 176.600 0.022 0.000 0.985 327 E CA 1.248 57.669 56.400 0.035 0.000 0.814 327 E CB -0.064 29.686 29.700 0.083 0.000 0.752 327 E HN 0.485 nan 8.360 nan 0.000 0.466 328 A N 0.068 122.881 122.820 -0.012 0.000 2.169 328 A HA 0.193 4.559 4.320 0.078 0.000 0.212 328 A C 1.753 179.279 177.584 -0.096 0.000 1.153 328 A CA 1.013 53.024 52.037 -0.044 0.000 0.756 328 A CB -0.048 18.913 19.000 -0.066 0.000 0.813 328 A HN 0.342 nan 8.150 nan 0.000 0.471 329 G N -0.601 108.072 108.800 -0.212 0.000 2.141 329 G HA2 -0.169 3.838 3.960 0.078 0.000 0.231 329 G HA3 -0.169 3.838 3.960 0.078 0.000 0.231 329 G C -0.248 174.216 174.900 -0.726 0.000 0.984 329 G CA 0.197 44.901 45.100 -0.660 0.000 0.660 329 G HN 0.426 nan 8.290 nan 0.000 0.525 330 D N 0.946 121.156 120.400 -0.318 0.000 3.134 330 D HA 0.243 4.929 4.640 0.078 0.000 0.248 330 D C 0.782 177.038 176.300 -0.073 0.000 1.273 330 D CA -0.281 53.613 54.000 -0.176 0.000 0.904 330 D CB -0.650 40.138 40.800 -0.021 0.000 1.089 330 D HN 0.458 nan 8.370 nan 0.000 0.478 331 F N 1.535 121.487 119.950 0.002 0.000 2.580 331 F HA 0.014 4.587 4.527 0.077 0.000 0.398 331 F C -1.357 174.416 175.800 -0.044 0.000 1.023 331 F CA -1.666 56.328 58.000 -0.011 0.000 1.188 331 F CB -0.215 38.788 39.000 0.005 0.000 1.005 331 F HN -0.115 nan 8.300 nan 0.000 0.546 332 P HA -0.001 nan 4.420 nan 0.000 0.261 332 P C -0.990 176.262 177.300 -0.080 0.000 1.183 332 P CA 0.501 63.591 63.100 -0.016 0.000 0.761 332 P CB 0.453 32.214 31.700 0.101 0.000 0.785 333 E N 2.511 122.526 120.200 -0.309 0.000 2.256 333 E HA 0.460 4.856 4.350 0.078 0.000 0.268 333 E C -1.078 175.265 176.600 -0.428 0.000 0.877 333 E CA -0.560 55.711 56.400 -0.215 0.000 0.757 333 E CB 1.523 31.191 29.700 -0.054 0.000 1.183 333 E HN 0.380 nan 8.360 nan 0.000 0.418 334 Y N 0.222 120.594 120.300 0.119 0.000 2.524 334 Y HA 0.317 4.914 4.550 0.078 0.000 0.347 334 Y C -0.314 175.787 175.900 0.334 0.000 1.005 334 Y CA -0.997 57.238 58.100 0.225 0.000 1.025 334 Y CB 2.123 40.715 38.460 0.221 0.000 1.275 334 Y HN 0.434 nan 8.280 nan 0.000 0.460 335 E N 1.877 122.398 120.200 0.536 0.000 2.166 335 E HA 0.447 4.844 4.350 0.078 0.000 0.275 335 E C -1.616 175.266 176.600 0.471 0.000 0.941 335 E CA -1.009 55.656 56.400 0.441 0.000 0.784 335 E CB 1.320 31.216 29.700 0.326 0.000 1.115 335 E HN 0.559 nan 8.360 nan 0.000 0.399 336 L N 3.799 125.224 121.223 0.337 0.000 2.367 336 L HA 0.531 4.917 4.340 0.078 0.000 0.275 336 L C -0.098 176.750 176.870 -0.037 0.000 1.129 336 L CA 0.505 55.310 54.840 -0.059 0.000 0.839 336 L CB 1.061 43.031 42.059 -0.148 0.000 1.133 336 L HN 0.555 nan 8.230 nan 0.000 0.453 337 G N 4.462 113.259 108.800 -0.006 0.000 2.571 337 G HA2 0.556 4.563 3.960 0.078 0.000 0.304 337 G HA3 0.556 4.563 3.960 0.078 0.000 0.304 337 G C -1.496 173.547 174.900 0.238 0.000 1.314 337 G CA -0.523 44.594 45.100 0.028 0.000 0.975 337 G HN 0.467 nan 8.290 nan 0.000 0.485 338 F N 0.049 120.002 119.950 0.005 0.000 2.469 338 F HA 0.421 4.995 4.527 0.077 0.000 0.332 338 F C 0.464 176.240 175.800 -0.040 0.000 1.103 338 F CA -0.958 57.034 58.000 -0.013 0.000 0.979 338 F CB 2.571 41.549 39.000 -0.036 0.000 1.137 338 F HN 0.110 nan 8.300 nan 0.000 0.463 339 Q N 4.127 124.023 119.800 0.160 0.000 2.398 339 Q HA 0.456 4.842 4.340 0.078 0.000 0.251 339 Q C -1.139 174.896 176.000 0.059 0.000 0.999 339 Q CA -0.449 55.404 55.803 0.082 0.000 0.874 339 Q CB 1.697 30.491 28.738 0.095 0.000 1.215 339 Q HN 0.545 nan 8.270 nan 0.000 0.470 340 L N 4.304 125.575 121.223 0.080 0.000 2.307 340 L HA 0.591 4.978 4.340 0.078 0.000 0.284 340 L C -0.661 176.261 176.870 0.087 0.000 1.023 340 L CA -0.723 54.155 54.840 0.064 0.000 0.810 340 L CB 1.232 43.341 42.059 0.084 0.000 1.231 340 L HN 0.500 nan 8.230 nan 0.000 0.423 341 I N 4.372 125.008 120.570 0.110 0.000 2.478 341 I HA 0.378 4.595 4.170 0.078 0.000 0.287 341 I C -2.296 173.924 176.117 0.171 0.000 1.042 341 I CA -1.750 59.650 61.300 0.166 0.000 1.067 341 I CB 2.110 40.236 38.000 0.210 0.000 1.233 341 I HN 0.318 nan 8.210 nan 0.000 0.431 342 P HA 0.001 nan 4.420 nan 0.000 0.267 342 P C 0.654 178.019 177.300 0.107 0.000 1.200 342 P CA -0.031 63.106 63.100 0.061 0.000 0.772 342 P CB 0.749 32.475 31.700 0.044 0.000 0.855 343 E N 2.508 122.695 120.200 -0.022 0.000 2.118 343 E HA -0.254 4.142 4.350 0.078 0.000 0.195 343 E C 1.361 178.024 176.600 0.106 0.000 0.992 343 E CA 1.128 57.502 56.400 -0.043 0.000 0.804 343 E CB -0.050 29.537 29.700 -0.188 0.000 0.741 343 E HN 0.446 nan 8.360 nan 0.000 0.458 344 E N 0.407 120.646 120.200 0.064 0.000 2.409 344 E HA -0.167 4.230 4.350 0.078 0.000 0.198 344 E C 0.416 177.057 176.600 0.068 0.000 1.024 344 E CA 0.784 57.228 56.400 0.073 0.000 0.861 344 E CB -0.062 29.667 29.700 0.049 0.000 0.788 344 E HN 0.282 nan 8.360 nan 0.000 0.521 345 D N 1.134 121.572 120.400 0.064 0.000 2.342 345 D HA 0.009 4.696 4.640 0.078 0.000 0.221 345 D C 1.321 177.598 176.300 -0.039 0.000 1.101 345 D CA 0.021 54.025 54.000 0.006 0.000 0.837 345 D CB 0.137 40.942 40.800 0.009 0.000 0.938 345 D HN 0.381 nan 8.370 nan 0.000 0.508 346 E N -0.237 119.911 120.200 -0.088 0.000 2.130 346 E HA -0.195 4.201 4.350 0.078 0.000 0.196 346 E C 0.422 176.679 176.600 -0.572 0.000 0.998 346 E CA 1.045 57.195 56.400 -0.417 0.000 0.806 346 E CB 0.022 29.314 29.700 -0.680 0.000 0.738 346 E HN 0.295 nan 8.360 nan 0.000 0.459 347 F N -0.633 119.305 119.950 -0.021 0.000 2.668 347 F HA 0.227 4.801 4.527 0.078 0.000 0.297 347 F C 1.286 177.004 175.800 -0.137 0.000 1.124 347 F CA -0.410 57.556 58.000 -0.057 0.000 1.353 347 F CB 0.567 39.550 39.000 -0.029 0.000 0.992 347 F HN -0.201 nan 8.300 nan 0.000 0.524 348 K N 0.111 120.407 120.400 -0.175 0.000 2.426 348 K HA 0.158 4.525 4.320 0.078 0.000 0.193 348 K C -0.077 176.126 176.600 -0.662 0.000 1.028 348 K CA 0.342 56.376 56.287 -0.422 0.000 1.047 348 K CB -0.123 32.020 32.500 -0.595 0.000 0.821 348 K HN 0.094 nan 8.250 nan 0.000 0.513 349 F N -0.406 119.392 119.950 -0.254 0.000 2.461 349 F HA 0.185 4.759 4.527 0.078 0.000 0.337 349 F C 1.399 176.993 175.800 -0.343 0.000 1.079 349 F CA -0.795 56.950 58.000 -0.425 0.000 1.032 349 F CB 0.718 39.142 39.000 -0.961 0.000 1.327 349 F HN -0.181 nan 8.300 nan 0.000 0.491 350 D N -0.075 120.270 120.400 -0.091 0.000 2.347 350 D HA 0.019 4.705 4.640 0.078 0.000 0.215 350 D C -0.257 176.096 176.300 0.088 0.000 0.976 350 D CA 0.950 54.979 54.000 0.048 0.000 0.884 350 D CB -0.066 40.866 40.800 0.220 0.000 0.915 350 D HN 0.234 nan 8.370 nan 0.000 0.526 351 F N -1.156 118.872 119.950 0.130 0.000 2.631 351 F HA 0.483 5.057 4.527 0.078 0.000 0.328 351 F C 0.010 175.814 175.800 0.006 0.000 1.067 351 F CA -1.570 56.435 58.000 0.008 0.000 0.969 351 F CB 0.670 39.613 39.000 -0.096 0.000 1.332 351 F HN -0.413 nan 8.300 nan 0.000 0.490 352 D N 1.258 121.722 120.400 0.107 0.000 2.308 352 D HA 0.203 4.889 4.640 0.078 0.000 0.251 352 D C 0.959 177.262 176.300 0.004 0.000 1.127 352 D CA -0.036 53.979 54.000 0.025 0.000 0.876 352 D CB 1.542 42.364 40.800 0.038 0.000 1.176 352 D HN 0.699 nan 8.370 nan 0.000 0.446 353 L N 3.419 124.579 121.223 -0.104 0.000 2.275 353 L HA -0.113 4.273 4.340 0.078 0.000 0.215 353 L C 1.959 178.724 176.870 -0.174 0.000 1.119 353 L CA 0.652 55.396 54.840 -0.161 0.000 0.790 353 L CB -0.042 41.779 42.059 -0.396 0.000 0.919 353 L HN 0.442 nan 8.230 nan 0.000 0.443 354 L N -1.021 120.127 121.223 -0.126 0.000 2.599 354 L HA 0.038 4.424 4.340 0.078 0.000 0.230 354 L C 0.479 177.281 176.870 -0.114 0.000 1.141 354 L CA -0.067 54.756 54.840 -0.029 0.000 0.877 354 L CB -0.358 41.796 42.059 0.158 0.000 1.009 354 L HN 0.098 nan 8.230 nan 0.000 0.447 355 D N 1.930 122.060 120.400 -0.450 0.000 2.347 355 D HA 0.126 4.812 4.640 0.078 0.000 0.235 355 D C -1.673 174.399 176.300 -0.379 0.000 1.149 355 D CA -2.267 51.251 54.000 -0.803 0.000 0.850 355 D CB 1.638 41.729 40.800 -1.181 0.000 1.061 355 D HN -0.071 nan 8.370 nan 0.000 0.487 356 P HA 0.003 nan 4.420 nan 0.000 0.245 356 P C 0.759 177.945 177.300 -0.190 0.000 1.212 356 P CA 0.440 63.441 63.100 -0.165 0.000 0.774 356 P CB -0.035 31.640 31.700 -0.043 0.000 0.999 357 T N -4.455 109.975 114.554 -0.207 0.000 3.086 357 T HA 0.185 4.581 4.350 0.078 0.000 0.250 357 T C 0.681 175.266 174.700 -0.192 0.000 1.074 357 T CA -0.148 61.850 62.100 -0.171 0.000 0.988 357 T CB -0.103 68.714 68.868 -0.085 0.000 0.988 357 T HN -0.151 nan 8.240 nan 0.000 0.530 358 K N 2.103 122.288 120.400 -0.358 0.000 2.270 358 K HA 0.591 4.957 4.320 0.078 0.000 0.255 358 K C -0.460 175.900 176.600 -0.399 0.000 0.936 358 K CA -0.831 55.091 56.287 -0.607 0.000 0.809 358 K CB 2.305 34.282 32.500 -0.873 0.000 1.131 358 K HN 0.269 nan 8.250 nan 0.000 0.427 359 L N -0.344 120.781 121.223 -0.164 0.000 2.365 359 L HA 0.685 5.072 4.340 0.078 0.000 0.267 359 L C -0.115 176.628 176.870 -0.212 0.000 1.033 359 L CA -0.558 54.195 54.840 -0.145 0.000 0.802 359 L CB 0.352 42.412 42.059 0.003 0.000 1.267 359 L HN 0.461 nan 8.230 nan 0.000 0.457 360 I N 1.084 121.604 120.570 -0.085 0.000 2.354 360 I HA 0.397 4.613 4.170 0.078 0.000 0.286 360 I C -2.185 173.961 176.117 0.049 0.000 1.007 360 I CA -1.766 59.518 61.300 -0.027 0.000 1.167 360 I CB 1.392 39.368 38.000 -0.040 0.000 1.320 360 I HN 0.449 nan 8.210 nan 0.000 0.458 361 P HA -0.006 nan 4.420 nan 0.000 0.262 361 P C 0.403 177.766 177.300 0.104 0.000 1.182 361 P CA 0.206 63.359 63.100 0.089 0.000 0.761 361 P CB 0.586 32.332 31.700 0.077 0.000 0.795 362 E N 1.806 122.078 120.200 0.120 0.000 2.265 362 E HA -0.209 4.188 4.350 0.078 0.000 0.196 362 E C 1.456 178.105 176.600 0.082 0.000 0.996 362 E CA 0.775 57.231 56.400 0.094 0.000 0.832 362 E CB 0.007 29.766 29.700 0.099 0.000 0.756 362 E HN 0.508 nan 8.360 nan 0.000 0.491 363 E N 0.324 120.575 120.200 0.084 0.000 2.153 363 E HA -0.158 4.238 4.350 0.078 0.000 0.194 363 E C 2.045 178.703 176.600 0.096 0.000 0.988 363 E CA 0.893 57.340 56.400 0.078 0.000 0.811 363 E CB 0.066 29.807 29.700 0.068 0.000 0.746 363 E HN 0.362 nan 8.360 nan 0.000 0.466 364 L N -0.636 120.662 121.223 0.125 0.000 2.253 364 L HA 0.074 4.461 4.340 0.078 0.000 0.205 364 L C 0.622 177.592 176.870 0.166 0.000 1.078 364 L CA 0.272 55.216 54.840 0.173 0.000 0.805 364 L CB 0.520 42.748 42.059 0.281 0.000 0.963 364 L HN -0.224 nan 8.230 nan 0.000 0.459 365 V N 1.811 121.800 119.914 0.126 0.000 2.385 365 V HA 0.305 4.472 4.120 0.078 0.000 0.277 365 V C -2.333 173.800 176.094 0.064 0.000 1.012 365 V CA -1.447 60.917 62.300 0.107 0.000 0.832 365 V CB 1.280 33.162 31.823 0.098 0.000 1.028 365 V HN -0.037 nan 8.190 nan 0.000 0.436 366 P HA 0.149 nan 4.420 nan 0.000 0.269 366 P C -0.272 177.025 177.300 -0.006 0.000 1.215 366 P CA 0.086 63.202 63.100 0.027 0.000 0.780 366 P CB 1.290 33.011 31.700 0.035 0.000 0.898 367 V N 3.002 122.883 119.914 -0.056 0.000 2.488 367 V HA 0.114 4.280 4.120 0.078 0.000 0.277 367 V C 0.849 176.927 176.094 -0.027 0.000 1.046 367 V CA -0.027 62.208 62.300 -0.108 0.000 0.986 367 V CB 0.353 32.035 31.823 -0.235 0.000 0.989 367 V HN 0.586 nan 8.190 nan 0.000 0.475 368 Q N 6.397 126.197 119.800 0.000 0.000 2.303 368 Q HA 0.378 4.764 4.340 0.078 0.000 0.257 368 Q C 0.273 176.256 176.000 -0.028 0.000 0.941 368 Q CA -0.734 55.069 55.803 0.000 0.000 0.931 368 Q CB 0.861 29.607 28.738 0.013 0.000 1.215 368 Q HN 0.803 nan 8.270 nan 0.000 0.437 369 R N 2.568 123.085 120.500 0.028 0.000 2.491 369 R HA 0.141 4.528 4.340 0.078 0.000 0.283 369 R C -0.840 175.504 176.300 0.073 0.000 1.072 369 R CA -0.207 55.952 56.100 0.099 0.000 1.048 369 R CB 0.996 31.426 30.300 0.217 0.000 0.983 369 R HN 0.581 nan 8.270 nan 0.000 0.450 370 V N 1.904 121.774 119.914 -0.074 0.000 3.426 370 V HA 0.325 4.492 4.120 0.078 0.000 0.271 370 V C 0.445 176.306 176.094 -0.388 0.000 1.530 370 V CA 0.846 63.007 62.300 -0.232 0.000 1.021 370 V CB 0.957 32.416 31.823 -0.608 0.000 0.824 370 V HN 1.080 nan 8.190 nan 0.000 0.432 371 G N 0.166 108.578 108.800 -0.647 0.000 2.349 371 G HA2 0.479 4.486 3.960 0.078 0.000 0.294 371 G HA3 0.479 4.486 3.960 0.078 0.000 0.294 371 G C -1.807 172.780 174.900 -0.522 0.000 1.380 371 G CA -0.449 44.099 45.100 -0.920 0.000 0.811 371 G HN 0.108 nan 8.290 nan 0.000 0.519 372 K N -0.889 119.275 120.400 -0.393 0.000 2.422 372 K HA 0.782 5.149 4.320 0.078 0.000 0.251 372 K C -0.935 175.724 176.600 0.098 0.000 0.933 372 K CA -0.877 55.420 56.287 0.016 0.000 0.798 372 K CB 2.207 34.738 32.500 0.053 0.000 1.238 372 K HN 0.700 nan 8.250 nan 0.000 0.428 373 M N 4.515 124.270 119.600 0.257 0.000 2.321 373 M HA 0.447 4.973 4.480 0.078 0.000 0.315 373 M C -1.882 174.398 176.300 -0.034 0.000 1.052 373 M CA -0.691 54.699 55.300 0.150 0.000 0.936 373 M CB 1.908 34.640 32.600 0.220 0.000 1.639 373 M HN 0.400 nan 8.290 nan 0.000 0.433 374 V N 5.420 125.155 119.914 -0.298 0.000 2.540 374 V HA 0.496 4.662 4.120 0.078 0.000 0.302 374 V C -1.022 174.942 176.094 -0.217 0.000 1.035 374 V CA -0.812 61.333 62.300 -0.258 0.000 0.873 374 V CB 1.874 33.438 31.823 -0.433 0.000 0.992 374 V HN 0.693 nan 8.190 nan 0.000 0.428 375 L N 5.603 126.770 121.223 -0.094 0.000 2.264 375 L HA 0.481 4.867 4.340 0.078 0.000 0.287 375 L C 0.614 177.372 176.870 -0.186 0.000 1.039 375 L CA 0.058 54.842 54.840 -0.093 0.000 0.829 375 L CB 0.882 42.935 42.059 -0.010 0.000 1.211 375 L HN 0.871 nan 8.230 nan 0.000 0.427 376 N N 1.937 120.439 118.700 -0.330 0.000 2.197 376 N HA 0.164 4.950 4.740 0.078 0.000 0.228 376 N C 0.089 175.414 175.510 -0.308 0.000 1.212 376 N CA -0.254 52.368 53.050 -0.713 0.000 0.883 376 N CB 0.696 38.412 38.487 -1.286 0.000 1.107 376 N HN 0.363 nan 8.380 nan 0.000 0.519 377 R N 0.178 120.598 120.500 -0.134 0.000 2.535 377 R HA 0.317 4.704 4.340 0.078 0.000 0.274 377 R C -1.333 174.924 176.300 -0.072 0.000 1.090 377 R CA -0.574 55.472 56.100 -0.091 0.000 0.930 377 R CB 1.274 31.529 30.300 -0.074 0.000 1.223 377 R HN 0.065 nan 8.270 nan 0.000 0.441 378 N N 2.978 121.525 118.700 -0.254 0.000 2.513 378 N HA 0.306 5.093 4.740 0.078 0.000 0.274 378 N C -2.343 173.118 175.510 -0.081 0.000 1.189 378 N CA -1.380 51.392 53.050 -0.463 0.000 0.975 378 N CB 0.794 38.408 38.487 -1.454 0.000 1.157 378 N HN 0.275 nan 8.380 nan 0.000 0.465 379 P HA 0.121 nan 4.420 nan 0.000 0.274 379 P C 0.265 177.755 177.300 0.317 0.000 1.260 379 P CA -0.115 63.184 63.100 0.333 0.000 0.793 379 P CB 0.975 32.907 31.700 0.387 0.000 1.048 380 D N -1.192 119.369 120.400 0.267 0.000 2.269 380 D HA -0.011 4.676 4.640 0.078 0.000 0.220 380 D C 0.301 176.765 176.300 0.274 0.000 0.962 380 D CA 1.242 55.387 54.000 0.242 0.000 0.884 380 D CB 0.183 41.070 40.800 0.146 0.000 1.023 380 D HN 0.344 nan 8.370 nan 0.000 0.484 381 N N -0.039 118.815 118.700 0.255 0.000 2.399 381 N HA 0.018 4.804 4.740 0.078 0.000 0.284 381 N C 0.106 175.811 175.510 0.324 0.000 1.025 381 N CA -0.362 52.852 53.050 0.274 0.000 0.885 381 N CB 1.810 40.430 38.487 0.222 0.000 1.339 381 N HN -0.140 nan 8.380 nan 0.000 0.487 382 F N 4.429 124.516 119.950 0.229 0.000 2.069 382 F HA -0.182 4.390 4.527 0.076 0.000 0.298 382 F C 1.698 177.619 175.800 0.203 0.000 1.113 382 F CA 1.522 59.657 58.000 0.225 0.000 1.214 382 F CB -0.143 38.965 39.000 0.180 0.000 0.978 382 F HN 0.610 nan 8.300 nan 0.000 0.474 383 F N 0.910 121.087 119.950 0.379 0.000 2.069 383 F HA -0.165 4.416 4.527 0.091 0.000 0.298 383 F C 2.339 178.192 175.800 0.088 0.000 1.113 383 F CA 1.914 60.057 58.000 0.239 0.000 1.214 383 F CB -1.007 38.114 39.000 0.201 0.000 0.978 383 F HN 0.003 nan 8.300 nan 0.000 0.474 384 A N -0.265 122.652 122.820 0.161 0.000 1.902 384 A HA -0.180 4.187 4.320 0.078 0.000 0.217 384 A C 2.093 179.594 177.584 -0.138 0.000 1.181 384 A CA 2.044 54.086 52.037 0.008 0.000 0.623 384 A CB -0.730 18.344 19.000 0.123 0.000 0.818 384 A HN 0.616 nan 8.150 nan 0.000 0.443 385 E N -1.241 118.899 120.200 -0.100 0.000 2.099 385 E HA -0.081 4.316 4.350 0.078 0.000 0.191 385 E C 1.990 178.467 176.600 -0.206 0.000 0.962 385 E CA 0.601 56.884 56.400 -0.196 0.000 0.826 385 E CB -0.161 29.500 29.700 -0.065 0.000 0.788 385 E HN 0.592 nan 8.360 nan 0.000 0.461 386 N N 1.344 119.936 118.700 -0.180 0.000 2.182 386 N HA -0.159 4.628 4.740 0.078 0.000 0.186 386 N C 1.818 177.171 175.510 -0.262 0.000 1.036 386 N CA 1.345 54.264 53.050 -0.218 0.000 0.850 386 N CB 0.035 38.098 38.487 -0.706 0.000 1.010 386 N HN -0.075 nan 8.380 nan 0.000 0.432 387 E N 0.879 120.860 120.200 -0.364 0.000 2.058 387 E HA -0.113 4.284 4.350 0.078 0.000 0.194 387 E C 1.741 178.165 176.600 -0.294 0.000 0.997 387 E CA 1.547 57.791 56.400 -0.260 0.000 0.801 387 E CB -0.229 29.313 29.700 -0.264 0.000 0.746 387 E HN 0.511 nan 8.360 nan 0.000 0.450 388 Q N -0.265 119.282 119.800 -0.420 0.000 2.451 388 Q HA 0.209 4.596 4.340 0.078 0.000 0.206 388 Q C 0.102 175.970 176.000 -0.220 0.000 0.947 388 Q CA 0.241 55.850 55.803 -0.323 0.000 0.937 388 Q CB 0.296 28.821 28.738 -0.356 0.000 1.025 388 Q HN 0.216 nan 8.270 nan 0.000 0.511 389 A N 1.137 123.835 122.820 -0.204 0.000 2.498 389 A HA 0.453 4.820 4.320 0.078 0.000 0.239 389 A C -0.144 177.314 177.584 -0.210 0.000 1.068 389 A CA 0.225 52.110 52.037 -0.253 0.000 0.766 389 A CB 0.263 19.144 19.000 -0.198 0.000 1.003 389 A HN 0.273 nan 8.150 nan 0.000 0.497 390 A N 1.939 124.577 122.820 -0.304 0.000 2.335 390 A HA 0.720 5.086 4.320 0.078 0.000 0.304 390 A C -0.859 176.584 177.584 -0.236 0.000 1.118 390 A CA -0.416 51.510 52.037 -0.186 0.000 0.757 390 A CB 0.466 19.346 19.000 -0.200 0.000 1.188 390 A HN 0.659 nan 8.150 nan 0.000 0.460 391 F N 0.929 120.863 119.950 -0.026 0.000 2.480 391 F HA 0.663 5.236 4.527 0.077 0.000 0.329 391 F C 0.226 175.949 175.800 -0.128 0.000 1.091 391 F CA -0.209 57.749 58.000 -0.069 0.000 0.972 391 F CB 2.174 41.098 39.000 -0.127 0.000 1.150 391 F HN 0.765 nan 8.300 nan 0.000 0.467 392 H N 3.278 122.155 119.070 -0.321 0.000 3.042 392 H HA 0.294 4.896 4.556 0.078 0.000 0.345 392 H C -2.441 172.496 175.328 -0.653 0.000 1.052 392 H CA -1.797 53.828 56.048 -0.706 0.000 1.311 392 H CB 2.835 32.107 29.762 -0.817 0.000 1.810 392 H HN 0.204 nan 8.280 nan 0.000 0.505 393 P HA 0.002 nan 4.420 nan 0.000 0.230 393 P C 0.999 178.122 177.300 -0.295 0.000 1.158 393 P CA 1.233 63.996 63.100 -0.561 0.000 0.769 393 P CB 0.177 31.576 31.700 -0.502 0.000 0.807 394 G N -1.166 107.290 108.800 -0.573 0.000 2.712 394 G HA2 -0.108 3.899 3.960 0.078 0.000 0.212 394 G HA3 -0.108 3.899 3.960 0.078 0.000 0.212 394 G C 0.436 175.556 174.900 0.366 0.000 1.142 394 G CA -0.091 45.051 45.100 0.070 0.000 0.789 394 G HN 0.419 nan 8.290 nan 0.000 0.535 395 H N 0.940 120.140 119.070 0.218 0.000 3.291 395 H HA 0.311 4.913 4.556 0.077 0.000 0.256 395 H C 0.437 175.866 175.328 0.169 0.000 1.315 395 H CA -0.621 55.516 56.048 0.149 0.000 1.521 395 H CB -0.116 29.701 29.762 0.091 0.000 1.621 395 H HN 0.355 nan 8.280 nan 0.000 0.498 396 I N -0.074 120.617 120.570 0.202 0.000 3.133 396 I HA 0.675 4.892 4.170 0.078 0.000 0.311 396 I C -0.143 175.971 176.117 -0.005 0.000 1.072 396 I CA -1.492 59.852 61.300 0.074 0.000 1.015 396 I CB 1.954 39.892 38.000 -0.103 0.000 1.233 396 I HN 0.130 nan 8.210 nan 0.000 0.473 397 V N -1.994 117.881 119.914 -0.065 0.000 3.074 397 V HA 0.686 4.853 4.120 0.078 0.000 0.314 397 V C -2.809 173.347 176.094 0.103 0.000 1.117 397 V CA -2.585 59.734 62.300 0.031 0.000 1.014 397 V CB 0.994 32.821 31.823 0.005 0.000 1.057 397 V HN 0.634 nan 8.190 nan 0.000 0.438 398 P HA 0.353 nan 4.420 nan 0.000 0.262 398 P C 0.906 178.192 177.300 -0.023 0.000 1.182 398 P CA 1.908 65.053 63.100 0.076 0.000 0.761 398 P CB 0.612 32.346 31.700 0.058 0.000 0.795 399 G N 1.503 110.249 108.800 -0.089 0.000 2.218 399 G HA2 -0.156 3.851 3.960 0.078 0.000 0.216 399 G HA3 -0.156 3.851 3.960 0.078 0.000 0.216 399 G C -0.276 174.531 174.900 -0.154 0.000 0.994 399 G CA -0.389 44.640 45.100 -0.119 0.000 0.637 399 G HN 0.456 nan 8.290 nan 0.000 0.505 400 L N -0.011 121.125 121.223 -0.145 0.000 2.333 400 L HA 0.945 5.331 4.340 0.078 0.000 0.263 400 L C -0.572 176.213 176.870 -0.140 0.000 1.014 400 L CA -1.076 53.653 54.840 -0.185 0.000 0.820 400 L CB 2.181 44.056 42.059 -0.306 0.000 1.352 400 L HN 0.091 nan 8.230 nan 0.000 0.421 401 D N -0.684 119.616 120.400 -0.167 0.000 2.671 401 D HA 0.447 5.134 4.640 0.078 0.000 0.273 401 D C -1.331 174.884 176.300 -0.141 0.000 1.264 401 D CA -0.361 53.505 54.000 -0.223 0.000 0.788 401 D CB 1.781 42.539 40.800 -0.070 0.000 1.324 401 D HN 0.140 nan 8.370 nan 0.000 0.424 402 F N -0.180 119.887 119.950 0.194 0.000 2.321 402 F HA 0.604 5.177 4.527 0.077 0.000 0.318 402 F C 1.404 177.230 175.800 0.045 0.000 1.129 402 F CA -0.274 57.782 58.000 0.095 0.000 1.074 402 F CB 1.262 40.289 39.000 0.044 0.000 1.432 402 F HN 0.224 nan 8.300 nan 0.000 0.502 403 T N -3.177 111.494 114.554 0.195 0.000 2.838 403 T HA 0.300 4.697 4.350 0.078 0.000 0.292 403 T C -0.234 174.505 174.700 0.065 0.000 1.113 403 T CA -1.035 61.148 62.100 0.138 0.000 1.008 403 T CB 1.270 70.204 68.868 0.110 0.000 1.259 403 T HN 0.344 nan 8.240 nan 0.000 0.520 404 N N 1.366 120.112 118.700 0.077 0.000 2.485 404 N HA 0.055 4.841 4.740 0.078 0.000 0.199 404 N C 0.013 175.537 175.510 0.024 0.000 1.236 404 N CA 0.104 53.180 53.050 0.043 0.000 0.852 404 N CB -0.496 38.031 38.487 0.067 0.000 1.018 404 N HN 0.692 nan 8.380 nan 0.000 0.457 405 D N 1.921 122.318 120.400 -0.005 0.000 2.502 405 D HA -0.050 4.637 4.640 0.078 0.000 0.249 405 D C -1.333 174.962 176.300 -0.008 0.000 1.188 405 D CA -1.272 52.746 54.000 0.030 0.000 0.890 405 D CB 1.265 42.049 40.800 -0.027 0.000 1.140 405 D HN 0.116 nan 8.370 nan 0.000 0.505 406 P HA -0.144 nan 4.420 nan 0.000 0.220 406 P C 1.606 178.917 177.300 0.018 0.000 1.148 406 P CA 0.377 63.496 63.100 0.032 0.000 0.803 406 P CB 0.312 32.039 31.700 0.045 0.000 0.782 407 L N -0.682 120.571 121.223 0.049 0.000 2.068 407 L HA -0.043 4.344 4.340 0.078 0.000 0.204 407 L C 2.362 179.147 176.870 -0.143 0.000 1.076 407 L CA 1.324 56.184 54.840 0.032 0.000 0.753 407 L CB -1.551 40.607 42.059 0.165 0.000 0.910 407 L HN -0.171 nan 8.230 nan 0.000 0.439 408 L N -0.355 120.628 121.223 -0.400 0.000 1.990 408 L HA -0.258 4.129 4.340 0.078 0.000 0.213 408 L C 2.488 179.098 176.870 -0.434 0.000 1.072 408 L CA 1.896 56.272 54.840 -0.773 0.000 0.755 408 L CB -1.129 40.274 42.059 -1.094 0.000 0.889 408 L HN 0.404 nan 8.230 nan 0.000 0.432 409 Q N -0.240 119.377 119.800 -0.305 0.000 2.112 409 Q HA -0.192 4.194 4.340 0.078 0.000 0.206 409 Q C 2.076 177.986 176.000 -0.149 0.000 0.987 409 Q CA 1.891 57.561 55.803 -0.222 0.000 0.858 409 Q CB -0.836 27.824 28.738 -0.129 0.000 0.905 409 Q HN 0.729 nan 8.270 nan 0.000 0.420 410 G N 0.388 109.130 108.800 -0.098 0.000 2.464 410 G HA2 -0.195 3.812 3.960 0.078 0.000 0.217 410 G HA3 -0.195 3.812 3.960 0.078 0.000 0.217 410 G C 1.511 176.410 174.900 -0.002 0.000 1.138 410 G CA 0.141 45.226 45.100 -0.026 0.000 0.793 410 G HN 0.244 nan 8.290 nan 0.000 0.539 411 R N 0.005 120.456 120.500 -0.082 0.000 2.096 411 R HA 0.024 4.411 4.340 0.078 0.000 0.235 411 R C 2.502 178.846 176.300 0.073 0.000 1.127 411 R CA 0.940 57.040 56.100 0.001 0.000 0.968 411 R CB -0.515 29.745 30.300 -0.068 0.000 0.861 411 R HN 0.340 nan 8.270 nan 0.000 0.440 412 L N -0.306 120.865 121.223 -0.088 0.000 2.129 412 L HA -0.222 4.165 4.340 0.078 0.000 0.212 412 L C 2.307 179.316 176.870 0.231 0.000 1.087 412 L CA 1.234 56.056 54.840 -0.031 0.000 0.757 412 L CB -0.541 41.390 42.059 -0.214 0.000 0.896 412 L HN 0.160 nan 8.230 nan 0.000 0.434 413 F N 0.257 120.243 119.950 0.061 0.000 2.163 413 F HA -0.166 4.408 4.527 0.078 0.000 0.297 413 F C 2.801 178.657 175.800 0.092 0.000 1.094 413 F CA 1.530 59.568 58.000 0.063 0.000 1.290 413 F CB -0.221 38.792 39.000 0.022 0.000 1.017 413 F HN -0.053 nan 8.300 nan 0.000 0.483 414 S N -0.728 115.053 115.700 0.136 0.000 2.368 414 S HA -0.211 4.306 4.470 0.078 0.000 0.224 414 S C 2.069 176.606 174.600 -0.105 0.000 1.029 414 S CA 1.471 59.640 58.200 -0.052 0.000 0.988 414 S CB -0.767 62.416 63.200 -0.029 0.000 0.838 414 S HN 0.542 nan 8.310 nan 0.000 0.462 415 Y N 1.556 121.889 120.300 0.056 0.000 2.242 415 Y HA -0.076 4.520 4.550 0.078 0.000 0.291 415 Y C 2.993 178.695 175.900 -0.329 0.000 1.137 415 Y CA 1.452 59.582 58.100 0.049 0.000 1.181 415 Y CB -0.930 37.987 38.460 0.761 0.000 0.989 415 Y HN 0.247 nan 8.280 nan 0.000 0.527 416 T N -0.382 113.924 114.554 -0.413 0.000 2.643 416 T HA -0.232 4.164 4.350 0.078 0.000 0.264 416 T C 1.472 176.005 174.700 -0.279 0.000 1.045 416 T CA 1.761 63.635 62.100 -0.378 0.000 1.155 416 T CB -0.557 68.123 68.868 -0.313 0.000 0.863 416 T HN 0.361 nan 8.240 nan 0.000 0.420 417 D N 0.447 120.640 120.400 -0.345 0.000 2.116 417 D HA -0.139 4.548 4.640 0.078 0.000 0.193 417 D C 2.227 178.401 176.300 -0.210 0.000 0.998 417 D CA 1.782 55.586 54.000 -0.326 0.000 0.836 417 D CB -0.499 39.947 40.800 -0.591 0.000 0.951 417 D HN 0.302 nan 8.370 nan 0.000 0.449 418 T N -1.389 113.043 114.554 -0.202 0.000 3.035 418 T HA -0.081 4.315 4.350 0.078 0.000 0.268 418 T C 1.739 176.342 174.700 -0.163 0.000 1.109 418 T CA 1.124 63.135 62.100 -0.148 0.000 1.119 418 T CB -0.160 68.624 68.868 -0.140 0.000 0.900 418 T HN 0.223 nan 8.240 nan 0.000 0.503 419 Q N -0.099 119.546 119.800 -0.258 0.000 2.245 419 Q HA 0.061 4.447 4.340 0.078 0.000 0.201 419 Q C 2.086 177.971 176.000 -0.193 0.000 0.955 419 Q CA 0.703 56.290 55.803 -0.360 0.000 0.870 419 Q CB 0.003 28.253 28.738 -0.814 0.000 0.945 419 Q HN 0.428 nan 8.270 nan 0.000 0.461 420 I N 0.709 121.230 120.570 -0.082 0.000 2.264 420 I HA -0.269 3.947 4.170 0.078 0.000 0.248 420 I C 2.296 178.423 176.117 0.018 0.000 1.111 420 I CA 1.781 63.102 61.300 0.035 0.000 1.382 420 I CB -1.300 36.717 38.000 0.028 0.000 1.060 420 I HN 0.218 nan 8.210 nan 0.000 0.418 421 S N -0.042 115.650 115.700 -0.014 0.000 2.427 421 S HA -0.036 4.480 4.470 0.078 0.000 0.224 421 S C 2.134 176.732 174.600 -0.004 0.000 1.047 421 S CA 0.096 58.296 58.200 0.001 0.000 0.953 421 S CB -0.364 62.837 63.200 0.002 0.000 0.824 421 S HN 0.281 nan 8.310 nan 0.000 0.502 422 R N 1.051 121.533 120.500 -0.029 0.000 2.083 422 R HA 0.093 4.479 4.340 0.078 0.000 0.237 422 R C 1.494 177.785 176.300 -0.015 0.000 1.137 422 R CA 1.590 57.675 56.100 -0.025 0.000 0.951 422 R CB -0.331 29.937 30.300 -0.054 0.000 0.851 422 R HN 0.443 nan 8.270 nan 0.000 0.434 423 L N -0.895 120.311 121.223 -0.028 0.000 2.700 423 L HA 0.294 4.680 4.340 0.078 0.000 0.234 423 L C 0.949 177.844 176.870 0.042 0.000 1.156 423 L CA 0.343 55.182 54.840 -0.000 0.000 0.946 423 L CB 1.002 43.054 42.059 -0.012 0.000 1.216 423 L HN 0.637 nan 8.230 nan 0.000 0.493 424 G N -0.110 108.715 108.800 0.043 0.000 2.176 424 G HA2 -0.154 3.852 3.960 0.078 0.000 0.253 424 G HA3 -0.154 3.852 3.960 0.078 0.000 0.253 424 G C 0.452 175.397 174.900 0.075 0.000 0.979 424 G CA -0.032 45.099 45.100 0.052 0.000 0.641 424 G HN 0.743 nan 8.290 nan 0.000 0.530 425 G N -1.478 107.391 108.800 0.115 0.000 2.327 425 G HA2 0.625 4.632 3.960 0.078 0.000 0.291 425 G HA3 0.625 4.632 3.960 0.078 0.000 0.291 425 G C -2.287 172.725 174.900 0.187 0.000 1.290 425 G CA 0.438 45.609 45.100 0.118 0.000 0.857 425 G HN 0.472 nan 8.290 nan 0.000 0.520 426 P HA 0.131 nan 4.420 nan 0.000 0.255 426 P C 0.116 177.358 177.300 -0.098 0.000 1.248 426 P CA 0.296 63.434 63.100 0.064 0.000 0.807 426 P CB 0.234 31.958 31.700 0.039 0.000 1.150 427 N N 0.553 119.224 118.700 -0.048 0.000 2.327 427 N HA 0.062 4.848 4.740 0.078 0.000 0.231 427 N C 1.050 176.406 175.510 -0.258 0.000 1.130 427 N CA -0.163 52.789 53.050 -0.162 0.000 0.845 427 N CB -0.621 37.810 38.487 -0.094 0.000 1.073 427 N HN 0.270 nan 8.380 nan 0.000 0.496 428 F N 0.830 120.780 119.950 0.000 0.000 2.333 428 F HA -0.090 4.483 4.527 0.076 0.000 0.300 428 F C 2.242 177.992 175.800 -0.082 0.000 1.083 428 F CA 0.746 58.714 58.000 -0.052 0.000 1.395 428 F CB -0.868 38.114 39.000 -0.030 0.000 1.056 428 F HN 0.179 nan 8.300 nan 0.000 0.529 429 H N 0.533 119.326 119.070 -0.462 0.000 2.561 429 H HA 0.057 4.660 4.556 0.078 0.000 0.278 429 H C 0.790 175.985 175.328 -0.221 0.000 1.014 429 H CA 1.307 57.167 56.048 -0.314 0.000 1.211 429 H CB -0.784 28.661 29.762 -0.529 0.000 1.365 429 H HN 0.536 nan 8.280 nan 0.000 0.594 430 E N 0.882 120.678 120.200 -0.674 0.000 2.474 430 E HA 0.177 4.573 4.350 0.078 0.000 0.194 430 E C 0.279 176.769 176.600 -0.184 0.000 1.041 430 E CA -0.287 55.865 56.400 -0.412 0.000 0.874 430 E CB 0.515 29.996 29.700 -0.364 0.000 0.914 430 E HN 0.419 nan 8.360 nan 0.000 0.498 431 I N 2.910 123.393 120.570 -0.144 0.000 2.598 431 I HA -0.050 4.166 4.170 0.078 0.000 0.284 431 I C -1.496 174.562 176.117 -0.098 0.000 1.140 431 I CA -1.528 59.715 61.300 -0.096 0.000 1.420 431 I CB 0.598 38.552 38.000 -0.077 0.000 1.387 431 I HN -0.162 nan 8.210 nan 0.000 0.553 432 P HA -0.272 nan 4.420 nan 0.000 0.217 432 P C 1.729 178.957 177.300 -0.118 0.000 1.162 432 P CA 1.414 64.461 63.100 -0.089 0.000 0.901 432 P CB 0.153 31.810 31.700 -0.072 0.000 0.793 433 I N -0.710 119.760 120.570 -0.168 0.000 2.335 433 I HA -0.210 4.006 4.170 0.078 0.000 0.251 433 I C 1.407 177.432 176.117 -0.152 0.000 1.129 433 I CA 1.722 62.873 61.300 -0.248 0.000 1.402 433 I CB -0.652 37.079 38.000 -0.448 0.000 1.069 433 I HN -0.107 nan 8.210 nan 0.000 0.424 434 N N 0.732 119.363 118.700 -0.116 0.000 2.463 434 N HA 0.011 4.798 4.740 0.078 0.000 0.181 434 N C 0.275 175.791 175.510 0.010 0.000 1.078 434 N CA 0.234 53.248 53.050 -0.060 0.000 0.902 434 N CB -0.185 38.288 38.487 -0.023 0.000 0.970 434 N HN 0.389 nan 8.380 nan 0.000 0.451 435 R N 1.857 122.358 120.500 0.003 0.000 2.522 435 R HA 0.133 4.520 4.340 0.078 0.000 0.284 435 R C -2.191 174.173 176.300 0.107 0.000 1.032 435 R CA -1.190 54.918 56.100 0.014 0.000 1.049 435 R CB -0.131 30.162 30.300 -0.012 0.000 0.956 435 R HN 0.058 nan 8.270 nan 0.000 0.422 436 P HA -0.029 nan 4.420 nan 0.000 0.269 436 P C 0.514 177.885 177.300 0.118 0.000 1.215 436 P CA 0.027 63.207 63.100 0.135 0.000 0.780 436 P CB 0.657 32.393 31.700 0.060 0.000 0.898 437 T N -2.451 112.179 114.554 0.128 0.000 3.057 437 T HA 0.061 4.458 4.350 0.078 0.000 0.254 437 T C 0.970 175.713 174.700 0.072 0.000 1.094 437 T CA 0.042 62.176 62.100 0.057 0.000 1.088 437 T CB -0.978 67.904 68.868 0.023 0.000 0.934 437 T HN 0.603 nan 8.240 nan 0.000 0.497 438 C N 1.989 121.347 119.300 0.098 0.000 2.396 438 C HA 0.766 5.272 4.460 0.078 0.000 0.359 438 C C -2.102 172.950 174.990 0.104 0.000 1.307 438 C CA -2.429 56.645 59.018 0.094 0.000 2.392 438 C CB 0.513 28.312 27.740 0.099 0.000 2.245 438 C HN 0.283 nan 8.230 nan 0.000 0.615 439 P HA 0.275 nan 4.420 nan 0.000 0.275 439 P C -1.454 175.916 177.300 0.117 0.000 1.228 439 P CA 0.410 63.577 63.100 0.111 0.000 0.786 439 P CB 0.359 32.176 31.700 0.196 0.000 0.927 440 Y N 0.438 120.614 120.300 -0.207 0.000 2.332 440 Y HA 0.609 5.205 4.550 0.077 0.000 0.325 440 Y C -1.530 174.087 175.900 -0.471 0.000 1.054 440 Y CA -0.960 57.020 58.100 -0.201 0.000 1.119 440 Y CB 1.180 39.552 38.460 -0.147 0.000 1.168 440 Y HN 0.368 nan 8.280 nan 0.000 0.439 441 H N 3.797 122.774 119.070 -0.155 0.000 2.679 441 H HA 0.626 5.229 4.556 0.078 0.000 0.360 441 H C -1.000 174.215 175.328 -0.189 0.000 1.105 441 H CA -0.699 55.187 56.048 -0.271 0.000 1.196 441 H CB 1.790 31.417 29.762 -0.225 0.000 1.636 441 H HN 0.892 nan 8.280 nan 0.000 0.531 442 N N 0.302 118.896 118.700 -0.178 0.000 3.378 442 N HA 0.147 4.934 4.740 0.078 0.000 0.294 442 N C -1.208 174.063 175.510 -0.398 0.000 1.544 442 N CA -0.903 51.999 53.050 -0.246 0.000 0.872 442 N CB 0.541 39.023 38.487 -0.009 0.000 1.670 442 N HN 0.314 nan 8.380 nan 0.000 0.551 443 F N -0.279 119.708 119.950 0.061 0.000 2.693 443 F HA 0.327 4.900 4.527 0.077 0.000 0.303 443 F C 0.490 176.327 175.800 0.061 0.000 1.097 443 F CA -0.342 57.691 58.000 0.055 0.000 1.330 443 F CB 0.091 39.120 39.000 0.049 0.000 1.067 443 F HN 0.145 nan 8.300 nan 0.000 0.565 444 Q N 1.552 121.446 119.800 0.156 0.000 2.352 444 Q HA 0.372 4.759 4.340 0.078 0.000 0.260 444 Q C 0.075 176.138 176.000 0.106 0.000 0.976 444 Q CA 0.027 55.901 55.803 0.119 0.000 0.881 444 Q CB 0.978 29.761 28.738 0.075 0.000 1.235 444 Q HN 0.100 nan 8.270 nan 0.000 0.419 445 R N 1.458 122.015 120.500 0.095 0.000 2.817 445 R HA 0.350 4.736 4.340 0.078 0.000 0.268 445 R C -0.662 175.676 176.300 0.063 0.000 1.027 445 R CA -0.695 55.453 56.100 0.080 0.000 0.928 445 R CB 1.061 31.412 30.300 0.085 0.000 1.228 445 R HN 0.707 nan 8.270 nan 0.000 0.469 446 D N -0.248 120.182 120.400 0.049 0.000 3.582 446 D HA -0.151 4.536 4.640 0.078 0.000 0.258 446 D C 0.381 176.704 176.300 0.039 0.000 1.930 446 D CA 2.137 56.159 54.000 0.037 0.000 1.144 446 D CB -0.890 39.932 40.800 0.037 0.000 0.858 446 D HN 0.892 nan 8.370 nan 0.000 1.045 447 G N -1.780 107.041 108.800 0.036 0.000 2.690 447 G HA2 0.203 4.210 3.960 0.078 0.000 0.686 447 G HA3 0.203 4.210 3.960 0.078 0.000 0.686 447 G C -0.314 174.612 174.900 0.044 0.000 1.277 447 G CA -0.055 45.070 45.100 0.041 0.000 0.799 447 G HN 0.780 nan 8.290 nan 0.000 0.613 448 M N 1.237 120.871 119.600 0.057 0.000 2.260 448 M HA 0.440 4.967 4.480 0.078 0.000 0.348 448 M C 1.061 177.438 176.300 0.129 0.000 1.342 448 M CA 1.375 56.721 55.300 0.077 0.000 1.040 448 M CB -0.567 32.082 32.600 0.082 0.000 1.810 448 M HN 1.611 nan 8.290 nan 0.000 0.453 449 H N 1.062 120.133 119.070 0.002 0.000 2.756 449 H HA -0.170 4.431 4.556 0.076 0.000 0.315 449 H C -0.720 174.596 175.328 -0.020 0.000 1.210 449 H CA 0.719 56.763 56.048 -0.006 0.000 1.150 449 H CB -0.709 29.051 29.762 -0.004 0.000 1.463 449 H HN 0.645 nan 8.280 nan 0.000 0.427 450 R N 1.296 121.775 120.500 -0.035 0.000 2.421 450 R HA 0.055 4.442 4.340 0.078 0.000 0.305 450 R C 0.976 177.238 176.300 -0.062 0.000 1.039 450 R CA 0.101 56.186 56.100 -0.025 0.000 1.003 450 R CB 0.228 30.521 30.300 -0.012 0.000 0.959 450 R HN 0.387 nan 8.270 nan 0.000 0.427 451 M N 2.528 122.112 119.600 -0.026 0.000 2.398 451 M HA 0.213 4.740 4.480 0.078 0.000 0.261 451 M C 0.999 177.283 176.300 -0.026 0.000 1.125 451 M CA 1.118 56.402 55.300 -0.027 0.000 1.183 451 M CB -1.030 31.571 32.600 0.001 0.000 1.322 451 M HN 0.685 nan 8.290 nan 0.000 0.467 452 G N 1.681 110.473 108.800 -0.013 0.000 2.380 452 G HA2 0.374 4.381 3.960 0.078 0.000 0.242 452 G HA3 0.374 4.381 3.960 0.078 0.000 0.242 452 G C -0.390 174.498 174.900 -0.020 0.000 1.298 452 G CA -0.365 44.724 45.100 -0.017 0.000 0.878 452 G HN 0.337 nan 8.290 nan 0.000 0.542 453 I N 2.689 123.243 120.570 -0.027 0.000 2.347 453 I HA 0.102 4.319 4.170 0.078 0.000 0.283 453 I C -0.330 175.774 176.117 -0.021 0.000 1.058 453 I CA -0.578 60.710 61.300 -0.020 0.000 1.202 453 I CB 0.965 38.953 38.000 -0.021 0.000 1.386 453 I HN 0.351 nan 8.210 nan 0.000 0.475 454 D N 4.658 125.049 120.400 -0.014 0.000 2.383 454 D HA 0.049 4.736 4.640 0.078 0.000 0.252 454 D C 1.269 177.569 176.300 -0.001 0.000 1.166 454 D CA 0.293 54.285 54.000 -0.013 0.000 0.879 454 D CB 1.751 42.550 40.800 -0.000 0.000 1.164 454 D HN 0.557 nan 8.370 nan 0.000 0.462 455 T N -0.738 113.813 114.554 -0.005 0.000 3.044 455 T HA -0.063 4.333 4.350 0.078 0.000 0.250 455 T C 0.879 175.587 174.700 0.014 0.000 1.081 455 T CA -0.514 61.587 62.100 0.002 0.000 1.040 455 T CB 0.183 69.045 68.868 -0.009 0.000 0.962 455 T HN 0.125 nan 8.240 nan 0.000 0.506 456 N N 3.427 122.138 118.700 0.018 0.000 2.412 456 N HA 0.080 4.866 4.740 0.078 0.000 0.258 456 N C -1.621 173.928 175.510 0.065 0.000 1.236 456 N CA -1.477 51.597 53.050 0.040 0.000 0.882 456 N CB 1.432 39.946 38.487 0.044 0.000 1.066 456 N HN 0.079 nan 8.380 nan 0.000 0.465 457 P HA 0.051 nan 4.420 nan 0.000 0.221 457 P C -0.484 176.879 177.300 0.106 0.000 1.150 457 P CA 0.699 63.845 63.100 0.077 0.000 0.800 457 P CB 0.228 31.966 31.700 0.065 0.000 0.787 458 A N 0.855 123.734 122.820 0.097 0.000 2.306 458 A HA 0.470 4.837 4.320 0.078 0.000 0.330 458 A C 0.473 178.174 177.584 0.196 0.000 1.146 458 A CA -0.608 51.460 52.037 0.051 0.000 0.827 458 A CB 0.108 18.970 19.000 -0.231 0.000 1.178 458 A HN 0.276 nan 8.150 nan 0.000 0.490 459 N N -0.614 118.243 118.700 0.261 0.000 2.305 459 N HA 0.336 5.123 4.740 0.078 0.000 0.248 459 N C -0.849 174.845 175.510 0.308 0.000 1.290 459 N CA -0.362 52.910 53.050 0.369 0.000 0.873 459 N CB 0.418 39.068 38.487 0.271 0.000 1.261 459 N HN 0.698 nan 8.380 nan 0.000 0.504 460 Y N -0.774 119.425 120.300 -0.169 0.000 2.625 460 Y HA 0.716 5.313 4.550 0.077 0.000 0.338 460 Y C -1.588 173.752 175.900 -0.934 0.000 1.123 460 Y CA -1.301 56.518 58.100 -0.467 0.000 1.046 460 Y CB 1.085 39.423 38.460 -0.203 0.000 1.299 460 Y HN 0.074 nan 8.280 nan 0.000 0.464 461 E N 0.432 120.170 120.200 -0.770 0.000 2.366 461 E HA 0.656 5.053 4.350 0.078 0.000 0.278 461 E C -3.221 173.253 176.600 -0.210 0.000 0.923 461 E CA -1.967 54.048 56.400 -0.642 0.000 0.761 461 E CB 1.484 30.755 29.700 -0.715 0.000 1.231 461 E HN 0.510 nan 8.360 nan 0.000 0.443 462 P HA 0.316 nan 4.420 nan 0.000 0.274 462 P C -1.239 175.962 177.300 -0.164 0.000 1.231 462 P CA -0.444 62.566 63.100 -0.150 0.000 0.790 462 P CB 0.332 31.990 31.700 -0.071 0.000 0.951 463 N N -2.062 116.490 118.700 -0.247 0.000 2.242 463 N HA 0.368 5.155 4.740 0.078 0.000 0.292 463 N C 0.152 175.598 175.510 -0.107 0.000 1.125 463 N CA -0.746 52.155 53.050 -0.249 0.000 0.783 463 N CB 1.390 39.465 38.487 -0.687 0.000 1.558 463 N HN 0.157 nan 8.380 nan 0.000 0.472 464 S N 0.968 116.654 115.700 -0.022 0.000 2.492 464 S HA -0.019 4.497 4.470 0.078 0.000 0.218 464 S C 1.623 176.230 174.600 0.011 0.000 1.016 464 S CA 0.072 58.268 58.200 -0.008 0.000 0.916 464 S CB -0.795 62.412 63.200 0.012 0.000 0.791 464 S HN 0.725 nan 8.310 nan 0.000 0.513 465 I N -0.339 120.245 120.570 0.024 0.000 2.700 465 I HA 0.104 4.321 4.170 0.078 0.000 0.261 465 I C 1.324 177.469 176.117 0.046 0.000 1.219 465 I CA 1.536 62.862 61.300 0.043 0.000 1.463 465 I CB -0.380 37.663 38.000 0.072 0.000 1.092 465 I HN 0.208 nan 8.210 nan 0.000 0.452 466 N N 0.953 119.679 118.700 0.044 0.000 2.299 466 N HA 0.038 4.824 4.740 0.078 0.000 0.246 466 N C -0.164 175.453 175.510 0.179 0.000 1.254 466 N CA -0.037 53.079 53.050 0.110 0.000 0.879 466 N CB 0.080 38.645 38.487 0.131 0.000 1.214 466 N HN 0.222 nan 8.380 nan 0.000 0.510 467 D N 0.827 121.280 120.400 0.088 0.000 2.723 467 D HA -0.250 4.437 4.640 0.078 0.000 0.236 467 D C -0.074 176.139 176.300 -0.145 0.000 1.138 467 D CA 1.000 55.020 54.000 0.034 0.000 0.676 467 D CB -1.431 39.460 40.800 0.151 0.000 1.069 467 D HN 0.483 nan 8.370 nan 0.000 0.430 468 N N -1.549 117.078 118.700 -0.122 0.000 2.753 468 N HA -0.253 4.534 4.740 0.078 0.000 0.251 468 N C -0.832 174.587 175.510 -0.152 0.000 1.097 468 N CA 1.467 54.413 53.050 -0.174 0.000 0.786 468 N CB -1.235 37.105 38.487 -0.244 0.000 1.137 468 N HN 0.536 nan 8.380 nan 0.000 0.566 469 W N 0.957 122.303 121.300 0.077 0.000 2.376 469 W HA 0.441 5.147 4.660 0.077 0.000 0.322 469 W C -1.672 174.888 176.519 0.070 0.000 1.160 469 W CA -1.628 55.747 57.345 0.050 0.000 1.218 469 W CB 0.637 30.081 29.460 -0.027 0.000 1.205 469 W HN -0.023 nan 8.180 nan 0.000 0.559 470 P HA 0.223 nan 4.420 nan 0.000 0.275 470 P C -0.661 176.765 177.300 0.210 0.000 1.228 470 P CA -0.193 63.044 63.100 0.229 0.000 0.786 470 P CB 1.062 32.746 31.700 -0.026 0.000 0.927 471 R N 1.067 121.671 120.500 0.174 0.000 2.720 471 R HA 0.387 4.774 4.340 0.078 0.000 0.272 471 R C 0.258 176.587 176.300 0.048 0.000 0.991 471 R CA -0.904 55.188 56.100 -0.014 0.000 1.010 471 R CB 1.051 31.152 30.300 -0.331 0.000 1.141 471 R HN 0.472 nan 8.270 nan 0.000 0.494 472 E N 0.722 120.936 120.200 0.023 0.000 2.418 472 E HA 0.060 4.456 4.350 0.078 0.000 0.261 472 E C -0.572 176.048 176.600 0.033 0.000 1.070 472 E CA 0.584 57.011 56.400 0.044 0.000 0.931 472 E CB 0.721 30.440 29.700 0.030 0.000 0.954 472 E HN 0.347 nan 8.360 nan 0.000 0.439 473 T N 3.710 118.295 114.554 0.052 0.000 2.840 473 T HA 0.328 4.725 4.350 0.078 0.000 0.287 473 T C -2.424 172.300 174.700 0.039 0.000 0.991 473 T CA -1.597 60.532 62.100 0.048 0.000 0.964 473 T CB 1.306 70.214 68.868 0.066 0.000 0.954 473 T HN 0.279 nan 8.240 nan 0.000 0.438 474 P HA 0.282 nan 4.420 nan 0.000 0.269 474 P C -2.632 174.673 177.300 0.009 0.000 1.215 474 P CA -1.479 61.628 63.100 0.012 0.000 0.780 474 P CB -0.575 31.128 31.700 0.003 0.000 0.898 475 P HA 0.322 nan 4.420 nan 0.000 0.269 475 P C 0.130 177.419 177.300 -0.019 0.000 1.215 475 P CA 0.392 63.477 63.100 -0.024 0.000 0.780 475 P CB 0.403 32.071 31.700 -0.054 0.000 0.898 476 G N 0.869 109.656 108.800 -0.021 0.000 2.550 476 G HA2 0.401 4.407 3.960 0.078 0.000 0.293 476 G HA3 0.401 4.407 3.960 0.078 0.000 0.293 476 G C -2.543 172.347 174.900 -0.018 0.000 1.402 476 G CA -0.753 44.339 45.100 -0.014 0.000 0.784 476 G HN 0.158 nan 8.290 nan 0.000 0.482 477 P HA 0.084 nan 4.420 nan 0.000 0.221 477 P C 0.090 177.385 177.300 -0.008 0.000 1.150 477 P CA 1.282 64.373 63.100 -0.015 0.000 0.800 477 P CB 0.140 31.834 31.700 -0.010 0.000 0.787 478 K N -1.619 118.782 120.400 0.003 0.000 2.546 478 K HA 0.291 4.658 4.320 0.078 0.000 0.264 478 K C -0.171 176.443 176.600 0.024 0.000 0.937 478 K CA -0.789 55.506 56.287 0.014 0.000 0.833 478 K CB 1.345 33.855 32.500 0.016 0.000 1.378 478 K HN -0.294 nan 8.250 nan 0.000 0.432 479 R N -0.307 120.215 120.500 0.036 0.000 3.758 479 R HA -0.135 4.252 4.340 0.078 0.000 0.299 479 R C 0.269 176.597 176.300 0.046 0.000 1.182 479 R CA 1.360 57.487 56.100 0.047 0.000 0.809 479 R CB -2.357 27.971 30.300 0.046 0.000 1.249 479 R HN 1.019 nan 8.270 nan 0.000 0.497 480 G N -0.960 107.862 108.800 0.036 0.000 2.511 480 G HA2 0.629 4.636 3.960 0.078 0.000 0.316 480 G HA3 0.629 4.636 3.960 0.078 0.000 0.316 480 G C 0.407 175.337 174.900 0.051 0.000 1.210 480 G CA 0.036 45.156 45.100 0.033 0.000 0.969 480 G HN 0.255 nan 8.290 nan 0.000 0.492 481 G N -1.345 107.488 108.800 0.054 0.000 2.667 481 G HA2 0.385 4.392 3.960 0.078 0.000 0.250 481 G HA3 0.385 4.392 3.960 0.078 0.000 0.250 481 G C -0.661 174.296 174.900 0.094 0.000 1.212 481 G CA -0.498 44.656 45.100 0.091 0.000 0.874 481 G HN 0.473 nan 8.290 nan 0.000 0.561 482 F N 0.146 120.110 119.950 0.024 0.000 2.427 482 F HA 0.455 5.029 4.527 0.078 0.000 0.352 482 F C 0.447 176.260 175.800 0.022 0.000 1.100 482 F CA -0.346 57.664 58.000 0.017 0.000 1.191 482 F CB 0.982 39.995 39.000 0.023 0.000 1.128 482 F HN 0.427 nan 8.300 nan 0.000 0.533 483 E N 3.653 123.415 120.200 -0.729 0.000 2.272 483 E HA 0.313 4.710 4.350 0.078 0.000 0.269 483 E C -1.184 175.078 176.600 -0.563 0.000 0.877 483 E CA -0.804 55.365 56.400 -0.384 0.000 0.755 483 E CB 1.779 31.355 29.700 -0.207 0.000 1.192 483 E HN 0.627 nan 8.360 nan 0.000 0.422 484 S N 2.247 117.871 115.700 -0.126 0.000 2.565 484 S HA 0.045 4.562 4.470 0.078 0.000 0.276 484 S C -0.578 174.018 174.600 -0.007 0.000 1.326 484 S CA -0.376 57.833 58.200 0.015 0.000 1.045 484 S CB 0.193 63.519 63.200 0.210 0.000 0.918 484 S HN 0.450 nan 8.310 nan 0.000 0.505 485 Y N 2.655 122.900 120.300 -0.091 0.000 2.712 485 Y HA -0.032 4.564 4.550 0.077 0.000 0.333 485 Y C 0.925 176.804 175.900 -0.034 0.000 1.225 485 Y CA 0.173 58.223 58.100 -0.083 0.000 1.499 485 Y CB 0.235 38.644 38.460 -0.085 0.000 1.288 485 Y HN 0.584 nan 8.280 nan 0.000 0.575 486 Q N 5.268 124.713 119.800 -0.592 0.000 3.141 486 Q HA -0.007 4.379 4.340 0.078 0.000 0.304 486 Q C -0.064 175.675 176.000 -0.436 0.000 1.305 486 Q CA -0.020 55.542 55.803 -0.402 0.000 0.929 486 Q CB -0.322 28.235 28.738 -0.302 0.000 1.701 486 Q HN 0.671 nan 8.270 nan 0.000 0.483 487 E N 1.601 121.651 120.200 -0.251 0.000 2.436 487 E HA -0.041 4.355 4.350 0.078 0.000 0.262 487 E C -0.066 176.517 176.600 -0.027 0.000 1.063 487 E CA -0.477 55.898 56.400 -0.042 0.000 0.944 487 E CB 0.660 30.462 29.700 0.169 0.000 0.950 487 E HN 0.154 nan 8.360 nan 0.000 0.444 488 R N 3.049 123.556 120.500 0.013 0.000 2.267 488 R HA 0.246 4.633 4.340 0.078 0.000 0.319 488 R C -1.683 174.647 176.300 0.049 0.000 1.067 488 R CA -0.363 55.750 56.100 0.022 0.000 0.936 488 R CB 0.833 31.152 30.300 0.032 0.000 1.006 488 R HN 0.260 nan 8.270 nan 0.000 0.452 489 V N 4.902 124.836 119.914 0.033 0.000 2.417 489 V HA 0.472 4.639 4.120 0.078 0.000 0.291 489 V C -0.312 175.797 176.094 0.025 0.000 1.024 489 V CA -0.581 61.741 62.300 0.036 0.000 0.861 489 V CB 1.282 33.123 31.823 0.031 0.000 0.985 489 V HN 0.876 nan 8.190 nan 0.000 0.436 490 E N 2.782 122.998 120.200 0.027 0.000 2.304 490 E HA 0.667 5.064 4.350 0.078 0.000 0.277 490 E C -0.413 176.193 176.600 0.010 0.000 0.898 490 E CA -0.117 56.292 56.400 0.016 0.000 0.764 490 E CB 2.321 32.030 29.700 0.015 0.000 1.216 490 E HN 0.985 nan 8.360 nan 0.000 0.419 491 G N 2.669 111.470 108.800 0.002 0.000 2.356 491 G HA2 0.017 4.023 3.960 0.078 0.000 0.300 491 G HA3 0.017 4.023 3.960 0.078 0.000 0.300 491 G C -1.460 173.435 174.900 -0.009 0.000 1.331 491 G CA -0.984 44.113 45.100 -0.005 0.000 0.905 491 G HN 0.440 nan 8.290 nan 0.000 0.587 492 N N 0.115 118.807 118.700 -0.014 0.000 2.476 492 N HA 0.377 5.164 4.740 0.078 0.000 0.275 492 N C -0.186 175.312 175.510 -0.020 0.000 1.190 492 N CA -0.322 52.718 53.050 -0.015 0.000 0.977 492 N CB 0.891 39.368 38.487 -0.017 0.000 1.200 492 N HN 0.535 nan 8.380 nan 0.000 0.515 493 K N 0.843 121.231 120.400 -0.019 0.000 2.336 493 K HA 0.220 4.586 4.320 0.078 0.000 0.290 493 K C -0.289 176.292 176.600 -0.031 0.000 1.067 493 K CA -0.246 56.027 56.287 -0.024 0.000 0.962 493 K CB -0.075 32.412 32.500 -0.022 0.000 1.008 493 K HN 0.353 nan 8.250 nan 0.000 0.467 494 V N 0.184 120.074 119.914 -0.039 0.000 2.962 494 V HA 0.500 4.667 4.120 0.078 0.000 0.313 494 V C -0.480 175.577 176.094 -0.061 0.000 1.099 494 V CA -1.378 60.894 62.300 -0.047 0.000 0.971 494 V CB 2.034 33.829 31.823 -0.047 0.000 1.028 494 V HN 0.626 nan 8.190 nan 0.000 0.430 495 R N 2.201 122.661 120.500 -0.068 0.000 2.471 495 R HA 0.607 4.994 4.340 0.078 0.000 0.292 495 R C -0.500 175.750 176.300 -0.083 0.000 1.192 495 R CA -0.144 55.901 56.100 -0.090 0.000 1.257 495 R CB 0.770 31.005 30.300 -0.108 0.000 1.130 495 R HN 0.938 nan 8.270 nan 0.000 0.558 496 E N 1.901 122.049 120.200 -0.086 0.000 2.352 496 E HA 0.254 4.650 4.350 0.078 0.000 0.280 496 E C -1.311 175.225 176.600 -0.108 0.000 0.930 496 E CA -1.021 55.330 56.400 -0.081 0.000 0.765 496 E CB 1.788 31.448 29.700 -0.068 0.000 1.219 496 E HN 0.113 nan 8.360 nan 0.000 0.434 497 R N 1.261 121.702 120.500 -0.098 0.000 2.441 497 R HA 0.255 4.642 4.340 0.078 0.000 0.284 497 R C -0.558 175.633 176.300 -0.183 0.000 1.070 497 R CA 0.052 56.065 56.100 -0.145 0.000 1.047 497 R CB 1.307 31.578 30.300 -0.049 0.000 1.016 497 R HN 0.372 nan 8.270 nan 0.000 0.477 498 S N 4.236 119.723 115.700 -0.354 0.000 2.549 498 S HA 0.180 4.697 4.470 0.078 0.000 0.279 498 S C -1.619 172.948 174.600 -0.055 0.000 1.321 498 S CA -1.316 56.739 58.200 -0.241 0.000 1.054 498 S CB 0.747 63.727 63.200 -0.368 0.000 0.899 498 S HN 0.534 nan 8.310 nan 0.000 0.497 499 P HA -0.070 nan 4.420 nan 0.000 0.220 499 P C 1.442 178.792 177.300 0.083 0.000 1.148 499 P CA 0.945 64.066 63.100 0.034 0.000 0.803 499 P CB -0.083 31.626 31.700 0.015 0.000 0.782 500 S N -1.774 114.011 115.700 0.143 0.000 2.442 500 S HA -0.119 4.397 4.470 0.078 0.000 0.236 500 S C 1.488 176.268 174.600 0.300 0.000 1.007 500 S CA 0.932 59.260 58.200 0.214 0.000 0.965 500 S CB -1.405 61.961 63.200 0.278 0.000 0.773 500 S HN -0.019 nan 8.310 nan 0.000 0.504 501 F N 2.355 122.298 119.950 -0.011 0.000 2.743 501 F HA 0.366 4.940 4.527 0.077 0.000 0.297 501 F C 2.054 177.791 175.800 -0.106 0.000 1.131 501 F CA -0.777 57.208 58.000 -0.024 0.000 1.426 501 F CB -0.810 38.203 39.000 0.023 0.000 1.116 501 F HN 0.342 nan 8.300 nan 0.000 0.583 502 G N 0.594 109.409 108.800 0.025 0.000 3.392 502 G HA2 0.045 4.051 3.960 0.078 0.000 0.247 502 G HA3 0.045 4.051 3.960 0.078 0.000 0.247 502 G C 0.057 174.574 174.900 -0.638 0.000 1.161 502 G CA 0.144 45.096 45.100 -0.246 0.000 1.739 502 G HN 0.088 nan 8.290 nan 0.000 0.619 503 E N -0.024 119.704 120.200 -0.787 0.000 2.275 503 E HA 0.325 4.721 4.350 0.078 0.000 0.270 503 E C -0.871 175.238 176.600 -0.818 0.000 0.882 503 E CA -0.793 55.184 56.400 -0.705 0.000 0.758 503 E CB 1.519 31.065 29.700 -0.257 0.000 1.195 503 E HN 0.194 nan 8.360 nan 0.000 0.419 504 Y N 2.545 122.632 120.300 -0.354 0.000 2.471 504 Y HA 0.199 4.796 4.550 0.078 0.000 0.249 504 Y C 0.606 176.231 175.900 -0.459 0.000 1.116 504 Y CA -0.101 57.698 58.100 -0.500 0.000 1.240 504 Y CB 0.461 38.452 38.460 -0.783 0.000 1.251 504 Y HN 0.425 nan 8.280 nan 0.000 0.527 505 Y N -1.458 118.923 120.300 0.135 0.000 2.430 505 Y HA 0.134 4.731 4.550 0.078 0.000 0.248 505 Y C 2.221 178.176 175.900 0.092 0.000 1.108 505 Y CA -0.023 58.149 58.100 0.121 0.000 1.264 505 Y CB -0.210 38.328 38.460 0.129 0.000 1.172 505 Y HN 0.033 nan 8.280 nan 0.000 0.520 506 S N -1.038 114.787 115.700 0.208 0.000 2.387 506 S HA -0.168 4.349 4.470 0.078 0.000 0.226 506 S C 1.404 176.061 174.600 0.096 0.000 1.026 506 S CA 1.428 59.729 58.200 0.168 0.000 0.972 506 S CB -0.566 62.733 63.200 0.165 0.000 0.814 506 S HN 0.406 nan 8.310 nan 0.000 0.477 507 H N 3.234 122.210 119.070 -0.157 0.000 2.321 507 H HA 0.087 4.689 4.556 0.078 0.000 0.300 507 H C -0.656 174.450 175.328 -0.371 0.000 1.087 507 H CA 1.680 57.486 56.048 -0.403 0.000 1.319 507 H CB -1.815 27.477 29.762 -0.784 0.000 1.379 507 H HN 0.385 nan 8.280 nan 0.000 0.501 508 P HA -0.171 nan 4.420 nan 0.000 0.215 508 P C 1.454 178.924 177.300 0.283 0.000 1.153 508 P CA 1.755 64.979 63.100 0.207 0.000 0.853 508 P CB 0.079 31.941 31.700 0.269 0.000 0.788 509 R N -0.261 120.360 120.500 0.202 0.000 2.081 509 R HA -0.115 4.272 4.340 0.078 0.000 0.235 509 R C 2.193 178.616 176.300 0.205 0.000 1.131 509 R CA 1.128 57.356 56.100 0.214 0.000 0.960 509 R CB -1.404 28.988 30.300 0.154 0.000 0.856 509 R HN 0.031 nan 8.270 nan 0.000 0.436 510 L N 0.229 121.515 121.223 0.104 0.000 2.042 510 L HA -0.094 4.292 4.340 0.078 0.000 0.210 510 L C 2.017 178.948 176.870 0.102 0.000 1.076 510 L CA 1.781 56.650 54.840 0.048 0.000 0.749 510 L CB -0.698 41.316 42.059 -0.074 0.000 0.893 510 L HN 0.321 nan 8.230 nan 0.000 0.432 511 F N -0.937 119.041 119.950 0.046 0.000 2.095 511 F HA -0.303 4.271 4.527 0.078 0.000 0.298 511 F C 2.320 178.130 175.800 0.016 0.000 1.104 511 F CA 2.181 60.188 58.000 0.012 0.000 1.232 511 F CB -0.529 38.493 39.000 0.038 0.000 0.987 511 F HN 0.371 nan 8.300 nan 0.000 0.475 512 W N 1.199 122.475 121.300 -0.040 0.000 2.381 512 W HA -0.188 4.518 4.660 0.077 0.000 0.301 512 W C 1.676 178.087 176.519 -0.181 0.000 1.205 512 W CA 1.401 58.673 57.345 -0.121 0.000 1.285 512 W CB -0.565 28.925 29.460 0.050 0.000 1.133 512 W HN 0.082 nan 8.180 nan 0.000 0.521 513 L N 0.983 122.127 121.223 -0.132 0.000 2.291 513 L HA -0.141 4.245 4.340 0.078 0.000 0.214 513 L C 2.346 179.046 176.870 -0.284 0.000 1.120 513 L CA 1.045 55.750 54.840 -0.226 0.000 0.799 513 L CB -0.725 41.312 42.059 -0.036 0.000 0.925 513 L HN -0.177 nan 8.230 nan 0.000 0.446 514 S N -1.136 114.391 115.700 -0.289 0.000 2.603 514 S HA 0.039 4.555 4.470 0.078 0.000 0.220 514 S C 0.707 175.048 174.600 -0.431 0.000 0.967 514 S CA 0.190 58.209 58.200 -0.301 0.000 0.920 514 S CB -0.034 63.023 63.200 -0.238 0.000 0.773 514 S HN 0.304 nan 8.310 nan 0.000 0.529 515 Q N 1.793 121.247 119.800 -0.577 0.000 2.221 515 Q HA 0.319 4.706 4.340 0.078 0.000 0.242 515 Q C 0.579 176.229 176.000 -0.583 0.000 0.940 515 Q CA -0.204 55.226 55.803 -0.623 0.000 0.896 515 Q CB 0.483 28.786 28.738 -0.725 0.000 1.226 515 Q HN 0.390 nan 8.270 nan 0.000 0.463 516 T N -2.337 111.834 114.554 -0.639 0.000 2.766 516 T HA 0.176 4.572 4.350 0.078 0.000 0.295 516 T C -1.812 172.468 174.700 -0.699 0.000 1.024 516 T CA -1.313 60.369 62.100 -0.697 0.000 1.018 516 T CB 0.310 68.519 68.868 -1.097 0.000 1.002 516 T HN 0.217 nan 8.240 nan 0.000 0.532 517 P HA 0.007 nan 4.420 nan 0.000 0.217 517 P C 1.368 178.475 177.300 -0.323 0.000 1.150 517 P CA 0.887 63.775 63.100 -0.354 0.000 0.832 517 P CB -0.236 31.360 31.700 -0.174 0.000 0.787 518 F N -0.258 119.500 119.950 -0.320 0.000 2.367 518 F HA 0.101 4.674 4.527 0.077 0.000 0.298 518 F C 1.769 177.248 175.800 -0.535 0.000 1.094 518 F CA 0.729 58.483 58.000 -0.410 0.000 1.409 518 F CB -1.485 37.252 39.000 -0.439 0.000 1.064 518 F HN -0.116 nan 8.300 nan 0.000 0.528 519 E N 0.591 120.282 120.200 -0.848 0.000 2.106 519 E HA -0.186 4.210 4.350 0.078 0.000 0.192 519 E C 2.165 178.595 176.600 -0.283 0.000 0.984 519 E CA 1.239 57.339 56.400 -0.502 0.000 0.806 519 E CB -0.246 29.126 29.700 -0.545 0.000 0.750 519 E HN 0.616 nan 8.360 nan 0.000 0.458 520 Q N 0.324 119.895 119.800 -0.382 0.000 2.124 520 Q HA -0.194 4.192 4.340 0.078 0.000 0.202 520 Q C 2.201 178.255 176.000 0.091 0.000 0.977 520 Q CA 1.323 56.967 55.803 -0.265 0.000 0.850 520 Q CB -0.114 28.201 28.738 -0.705 0.000 0.901 520 Q HN 0.030 nan 8.270 nan 0.000 0.429 521 R N 0.308 120.824 120.500 0.027 0.000 2.083 521 R HA -0.172 4.215 4.340 0.078 0.000 0.237 521 R C 1.634 178.108 176.300 0.290 0.000 1.137 521 R CA 1.953 58.143 56.100 0.150 0.000 0.951 521 R CB -0.413 29.949 30.300 0.104 0.000 0.851 521 R HN 0.454 nan 8.270 nan 0.000 0.434 522 H N -0.585 118.575 119.070 0.149 0.000 2.389 522 H HA -0.022 4.580 4.556 0.078 0.000 0.299 522 H C 2.045 177.475 175.328 0.170 0.000 1.081 522 H CA 1.225 57.372 56.048 0.164 0.000 1.345 522 H CB -0.005 29.863 29.762 0.175 0.000 1.393 522 H HN 0.204 nan 8.280 nan 0.000 0.520 523 I N 0.201 120.971 120.570 0.334 0.000 2.113 523 I HA -0.272 3.945 4.170 0.078 0.000 0.238 523 I C 2.379 178.726 176.117 0.384 0.000 1.070 523 I CA 0.876 62.386 61.300 0.350 0.000 1.332 523 I CB -0.349 37.952 38.000 0.502 0.000 1.044 523 I HN 0.065 nan 8.210 nan 0.000 0.402 524 V N 1.265 121.420 119.914 0.401 0.000 2.250 524 V HA -0.369 3.797 4.120 0.078 0.000 0.253 524 V C 2.060 178.310 176.094 0.260 0.000 1.065 524 V CA 2.354 64.846 62.300 0.320 0.000 1.039 524 V CB -0.757 31.221 31.823 0.259 0.000 0.647 524 V HN 0.454 nan 8.190 nan 0.000 0.446 525 D N 0.103 120.639 120.400 0.226 0.000 2.219 525 D HA -0.070 4.616 4.640 0.078 0.000 0.205 525 D C 2.126 178.487 176.300 0.102 0.000 0.970 525 D CA 1.399 55.501 54.000 0.171 0.000 0.851 525 D CB -0.495 40.409 40.800 0.172 0.000 0.943 525 D HN 0.516 nan 8.370 nan 0.000 0.488 526 G N 0.066 108.903 108.800 0.061 0.000 2.404 526 G HA2 -0.220 3.786 3.960 0.078 0.000 0.215 526 G HA3 -0.220 3.786 3.960 0.078 0.000 0.215 526 G C 1.403 176.287 174.900 -0.026 0.000 1.174 526 G CA 0.061 45.104 45.100 -0.095 0.000 0.780 526 G HN 0.150 nan 8.290 nan 0.000 0.537 527 F N 1.966 121.941 119.950 0.041 0.000 2.126 527 F HA -0.074 4.500 4.527 0.078 0.000 0.299 527 F C 3.135 178.859 175.800 -0.126 0.000 1.096 527 F CA 1.588 59.554 58.000 -0.057 0.000 1.255 527 F CB -0.339 38.628 39.000 -0.055 0.000 0.997 527 F HN 0.084 nan 8.300 nan 0.000 0.479 528 S N -0.177 115.608 115.700 0.142 0.000 2.368 528 S HA -0.198 4.319 4.470 0.078 0.000 0.224 528 S C 1.877 176.512 174.600 0.059 0.000 1.029 528 S CA 1.192 59.433 58.200 0.068 0.000 0.988 528 S CB -0.801 62.459 63.200 0.099 0.000 0.838 528 S HN 0.392 nan 8.310 nan 0.000 0.462 529 F N 2.681 122.599 119.950 -0.052 0.000 2.075 529 F HA -0.108 4.466 4.527 0.077 0.000 0.297 529 F C 2.384 178.146 175.800 -0.063 0.000 1.113 529 F CA 1.507 59.476 58.000 -0.051 0.000 1.218 529 F CB -0.287 38.653 39.000 -0.099 0.000 0.984 529 F HN 0.105 nan 8.300 nan 0.000 0.472 530 E N 0.187 120.404 120.200 0.029 0.000 2.058 530 E HA -0.194 4.203 4.350 0.078 0.000 0.194 530 E C 2.205 178.674 176.600 -0.220 0.000 0.997 530 E CA 1.105 57.499 56.400 -0.011 0.000 0.801 530 E CB -0.423 29.392 29.700 0.192 0.000 0.746 530 E HN 0.340 nan 8.360 nan 0.000 0.450 531 L N 0.891 121.890 121.223 -0.374 0.000 2.291 531 L HA -0.029 4.357 4.340 0.078 0.000 0.214 531 L C 2.232 178.954 176.870 -0.247 0.000 1.120 531 L CA 1.066 55.643 54.840 -0.439 0.000 0.799 531 L CB -1.036 40.759 42.059 -0.440 0.000 0.925 531 L HN -0.012 nan 8.230 nan 0.000 0.446 532 S N -0.373 115.197 115.700 -0.215 0.000 2.447 532 S HA -0.080 4.437 4.470 0.078 0.000 0.233 532 S C 1.629 176.123 174.600 -0.178 0.000 1.006 532 S CA 0.849 58.940 58.200 -0.182 0.000 0.957 532 S CB 0.063 63.137 63.200 -0.209 0.000 0.773 532 S HN 0.356 nan 8.310 nan 0.000 0.507 533 K N 1.116 121.398 120.400 -0.198 0.000 2.404 533 K HA 0.236 4.602 4.320 0.078 0.000 0.194 533 K C -0.082 176.517 176.600 -0.002 0.000 1.023 533 K CA 0.066 56.290 56.287 -0.105 0.000 1.094 533 K CB 0.080 32.518 32.500 -0.103 0.000 0.841 533 K HN 0.175 nan 8.250 nan 0.000 0.523 534 V N 2.209 122.105 119.914 -0.031 0.000 2.432 534 V HA 0.000 4.167 4.120 0.078 0.000 0.271 534 V C 1.711 177.798 176.094 -0.012 0.000 1.046 534 V CA -0.080 62.226 62.300 0.010 0.000 0.945 534 V CB 1.392 33.193 31.823 -0.036 0.000 0.992 534 V HN -0.112 nan 8.190 nan 0.000 0.471 535 V N 5.222 125.150 119.914 0.023 0.000 2.453 535 V HA -0.041 4.126 4.120 0.078 0.000 0.247 535 V C 1.242 177.329 176.094 -0.011 0.000 1.048 535 V CA 1.231 63.541 62.300 0.017 0.000 1.049 535 V CB -0.536 31.315 31.823 0.047 0.000 0.672 535 V HN 0.772 nan 8.190 nan 0.000 0.457 536 R N 0.928 121.397 120.500 -0.053 0.000 2.220 536 R HA 0.213 4.599 4.340 0.078 0.000 0.340 536 R C -1.785 174.407 176.300 -0.180 0.000 1.076 536 R CA -1.520 54.526 56.100 -0.090 0.000 0.920 536 R CB 0.481 30.690 30.300 -0.151 0.000 1.062 536 R HN 0.231 nan 8.270 nan 0.000 0.469 537 P HA -0.237 nan 4.420 nan 0.000 0.216 537 P C 0.818 178.104 177.300 -0.023 0.000 1.150 537 P CA 1.279 64.362 63.100 -0.028 0.000 0.843 537 P CB -0.033 31.684 31.700 0.030 0.000 0.787 538 Y N -1.396 118.902 120.300 -0.004 0.000 2.333 538 Y HA -0.103 4.494 4.550 0.078 0.000 0.290 538 Y C 1.929 177.831 175.900 0.003 0.000 1.144 538 Y CA 0.783 58.881 58.100 -0.003 0.000 1.228 538 Y CB -1.694 36.765 38.460 -0.001 0.000 0.985 538 Y HN -0.087 nan 8.280 nan 0.000 0.542 539 I N 0.729 120.915 120.570 -0.639 0.000 2.286 539 I HA -0.224 3.992 4.170 0.078 0.000 0.245 539 I C 2.579 178.600 176.117 -0.159 0.000 1.104 539 I CA 1.214 62.279 61.300 -0.391 0.000 1.397 539 I CB -0.393 37.367 38.000 -0.399 0.000 1.072 539 I HN 0.159 nan 8.210 nan 0.000 0.417 540 R N 0.662 121.065 120.500 -0.162 0.000 2.103 540 R HA -0.232 4.155 4.340 0.078 0.000 0.242 540 R C 2.155 178.396 176.300 -0.099 0.000 1.142 540 R CA 1.719 57.733 56.100 -0.143 0.000 0.960 540 R CB -0.375 29.846 30.300 -0.131 0.000 0.858 540 R HN 0.432 nan 8.270 nan 0.000 0.439 541 E N 0.131 120.298 120.200 -0.054 0.000 2.072 541 E HA -0.111 4.286 4.350 0.078 0.000 0.191 541 E C 2.092 178.689 176.600 -0.004 0.000 0.985 541 E CA 0.869 57.257 56.400 -0.020 0.000 0.801 541 E CB 0.103 29.816 29.700 0.020 0.000 0.750 541 E HN 0.231 nan 8.360 nan 0.000 0.452 542 R N 0.066 120.578 120.500 0.020 0.000 2.152 542 R HA -0.097 4.289 4.340 0.078 0.000 0.232 542 R C 2.254 178.564 176.300 0.017 0.000 1.117 542 R CA 0.877 56.998 56.100 0.036 0.000 0.981 542 R CB -0.155 30.187 30.300 0.070 0.000 0.870 542 R HN 0.096 nan 8.270 nan 0.000 0.451 543 V N 0.268 120.181 119.914 -0.002 0.000 2.323 543 V HA -0.175 3.991 4.120 0.078 0.000 0.244 543 V C 2.294 178.347 176.094 -0.069 0.000 1.041 543 V CA 1.387 63.688 62.300 0.003 0.000 1.025 543 V CB -0.189 31.629 31.823 -0.008 0.000 0.656 543 V HN 0.091 nan 8.190 nan 0.000 0.451 544 V N 0.632 120.485 119.914 -0.103 0.000 2.392 544 V HA -0.307 3.860 4.120 0.078 0.000 0.249 544 V C 2.287 178.333 176.094 -0.081 0.000 1.059 544 V CA 2.413 64.635 62.300 -0.129 0.000 1.051 544 V CB -0.718 31.035 31.823 -0.115 0.000 0.658 544 V HN 0.663 nan 8.190 nan 0.000 0.455 545 D N -0.730 119.656 120.400 -0.025 0.000 2.144 545 D HA -0.186 4.501 4.640 0.078 0.000 0.199 545 D C 2.269 178.634 176.300 0.108 0.000 0.984 545 D CA 1.104 55.125 54.000 0.035 0.000 0.834 545 D CB 0.003 40.842 40.800 0.066 0.000 0.955 545 D HN 0.327 nan 8.370 nan 0.000 0.465 546 Q N -0.112 119.714 119.800 0.043 0.000 2.079 546 Q HA -0.076 4.311 4.340 0.078 0.000 0.200 546 Q C 2.598 178.606 176.000 0.013 0.000 0.974 546 Q CA 0.636 56.462 55.803 0.038 0.000 0.840 546 Q CB -0.381 28.392 28.738 0.058 0.000 0.898 546 Q HN 0.444 nan 8.270 nan 0.000 0.430 547 L N 0.259 121.430 121.223 -0.086 0.000 2.079 547 L HA -0.184 4.202 4.340 0.078 0.000 0.210 547 L C 2.358 179.117 176.870 -0.185 0.000 1.081 547 L CA 1.146 55.866 54.840 -0.200 0.000 0.752 547 L CB -0.682 41.156 42.059 -0.367 0.000 0.896 547 L HN 0.123 nan 8.230 nan 0.000 0.433 548 A N -0.843 121.891 122.820 -0.143 0.000 2.125 548 A HA -0.205 4.162 4.320 0.078 0.000 0.219 548 A C 1.738 179.153 177.584 -0.281 0.000 1.156 548 A CA 1.287 53.204 52.037 -0.199 0.000 0.671 548 A CB -0.737 18.145 19.000 -0.196 0.000 0.794 548 A HN 0.466 nan 8.150 nan 0.000 0.459 549 H N -1.114 117.746 119.070 -0.350 0.000 2.551 549 H HA 0.236 4.839 4.556 0.078 0.000 0.266 549 H C 1.576 176.627 175.328 -0.461 0.000 0.977 549 H CA 0.974 56.700 56.048 -0.537 0.000 1.163 549 H CB 0.008 29.098 29.762 -1.120 0.000 1.381 549 H HN 0.510 nan 8.280 nan 0.000 0.581 550 I N -1.071 119.385 120.570 -0.190 0.000 2.685 550 I HA 0.028 4.244 4.170 0.078 0.000 0.251 550 I C 0.154 176.205 176.117 -0.111 0.000 1.102 550 I CA 0.539 61.792 61.300 -0.078 0.000 1.442 550 I CB 0.712 38.694 38.000 -0.030 0.000 1.194 550 I HN 0.157 nan 8.210 nan 0.000 0.448 551 D N 0.240 120.518 120.400 -0.203 0.000 2.633 551 D HA 0.033 4.720 4.640 0.078 0.000 0.198 551 D C 0.087 176.260 176.300 -0.212 0.000 1.273 551 D CA -0.290 53.600 54.000 -0.183 0.000 0.830 551 D CB 1.696 42.373 40.800 -0.204 0.000 1.771 551 D HN -0.037 nan 8.370 nan 0.000 0.547 552 L N 2.958 124.106 121.223 -0.126 0.000 2.131 552 L HA -0.116 4.270 4.340 0.078 0.000 0.210 552 L C 1.832 178.651 176.870 -0.084 0.000 1.092 552 L CA 1.651 56.424 54.840 -0.111 0.000 0.759 552 L CB -0.369 41.642 42.059 -0.079 0.000 0.903 552 L HN 0.510 nan 8.230 nan 0.000 0.435 553 T N 0.423 114.961 114.554 -0.025 0.000 2.708 553 T HA -0.221 4.175 4.350 0.078 0.000 0.266 553 T C 1.796 176.483 174.700 -0.022 0.000 1.037 553 T CA 1.536 63.661 62.100 0.041 0.000 1.146 553 T CB -0.319 68.661 68.868 0.186 0.000 0.865 553 T HN 0.237 nan 8.240 nan 0.000 0.435 554 L N 1.634 122.724 121.223 -0.223 0.000 2.012 554 L HA 0.008 4.395 4.340 0.078 0.000 0.210 554 L C 2.584 179.272 176.870 -0.303 0.000 1.073 554 L CA 2.078 56.643 54.840 -0.459 0.000 0.748 554 L CB -1.198 40.198 42.059 -1.105 0.000 0.891 554 L HN 0.220 nan 8.230 nan 0.000 0.431 555 A N -0.949 121.700 122.820 -0.285 0.000 1.865 555 A HA -0.289 4.078 4.320 0.078 0.000 0.217 555 A C 2.217 179.714 177.584 -0.144 0.000 1.191 555 A CA 2.025 53.927 52.037 -0.224 0.000 0.623 555 A CB -0.782 18.098 19.000 -0.199 0.000 0.826 555 A HN 0.666 nan 8.150 nan 0.000 0.444 556 Q N -0.793 118.948 119.800 -0.099 0.000 2.096 556 Q HA -0.127 4.260 4.340 0.078 0.000 0.204 556 Q C 2.385 178.365 176.000 -0.033 0.000 0.982 556 Q CA 1.474 57.243 55.803 -0.057 0.000 0.850 556 Q CB -0.409 28.308 28.738 -0.034 0.000 0.901 556 Q HN 0.699 nan 8.270 nan 0.000 0.422 557 A N 0.040 122.849 122.820 -0.018 0.000 1.972 557 A HA -0.128 4.239 4.320 0.078 0.000 0.219 557 A C 2.249 179.840 177.584 0.010 0.000 1.169 557 A CA 1.260 53.309 52.037 0.020 0.000 0.635 557 A CB -0.430 18.610 19.000 0.067 0.000 0.810 557 A HN 0.221 nan 8.150 nan 0.000 0.446 558 V N -0.572 119.321 119.914 -0.036 0.000 2.346 558 V HA -0.115 4.052 4.120 0.078 0.000 0.244 558 V C 3.009 179.070 176.094 -0.055 0.000 1.037 558 V CA 1.601 63.872 62.300 -0.048 0.000 1.029 558 V CB -0.966 30.773 31.823 -0.139 0.000 0.663 558 V HN 0.578 nan 8.190 nan 0.000 0.454 559 A N 0.104 122.882 122.820 -0.070 0.000 1.972 559 A HA -0.270 4.096 4.320 0.078 0.000 0.219 559 A C 2.271 179.836 177.584 -0.032 0.000 1.169 559 A CA 2.237 54.239 52.037 -0.059 0.000 0.635 559 A CB -0.444 18.519 19.000 -0.063 0.000 0.810 559 A HN 0.562 nan 8.150 nan 0.000 0.446 560 K N -0.335 120.055 120.400 -0.017 0.000 2.103 560 K HA -0.099 4.267 4.320 0.078 0.000 0.204 560 K C 1.377 177.981 176.600 0.007 0.000 1.052 560 K CA 1.354 57.640 56.287 -0.001 0.000 0.945 560 K CB -0.150 32.356 32.500 0.009 0.000 0.722 560 K HN 0.370 nan 8.250 nan 0.000 0.443 561 N N 0.628 119.336 118.700 0.012 0.000 2.459 561 N HA -0.070 4.717 4.740 0.078 0.000 0.181 561 N C 1.208 176.721 175.510 0.006 0.000 1.046 561 N CA 0.851 53.915 53.050 0.023 0.000 0.904 561 N CB 0.159 38.671 38.487 0.042 0.000 0.964 561 N HN 0.283 nan 8.380 nan 0.000 0.444 562 L N -0.964 120.250 121.223 -0.014 0.000 2.616 562 L HA 0.254 4.641 4.340 0.078 0.000 0.229 562 L C 0.858 177.715 176.870 -0.021 0.000 1.110 562 L CA -0.036 54.787 54.840 -0.028 0.000 0.884 562 L CB 0.036 42.063 42.059 -0.054 0.000 1.115 562 L HN 0.055 nan 8.230 nan 0.000 0.481 563 G N 1.788 110.580 108.800 -0.012 0.000 2.246 563 G HA2 -0.274 3.733 3.960 0.078 0.000 0.273 563 G HA3 -0.274 3.733 3.960 0.078 0.000 0.273 563 G C -0.109 174.783 174.900 -0.013 0.000 1.055 563 G CA 0.094 45.189 45.100 -0.009 0.000 0.851 563 G HN 0.297 nan 8.290 nan 0.000 0.500 564 I N -0.669 119.889 120.570 -0.020 0.000 2.562 564 I HA 0.576 4.793 4.170 0.078 0.000 0.301 564 I C 0.183 176.287 176.117 -0.022 0.000 1.003 564 I CA -0.911 60.375 61.300 -0.023 0.000 1.127 564 I CB 2.114 40.094 38.000 -0.034 0.000 1.304 564 I HN 0.179 nan 8.210 nan 0.000 0.446 565 E N 5.127 125.316 120.200 -0.020 0.000 2.176 565 E HA 0.478 4.874 4.350 0.078 0.000 0.267 565 E C -1.158 175.427 176.600 -0.025 0.000 0.893 565 E CA -0.635 55.753 56.400 -0.020 0.000 0.761 565 E CB 1.327 31.019 29.700 -0.013 0.000 1.133 565 E HN 0.425 nan 8.360 nan 0.000 0.409 566 L N 2.914 124.118 121.223 -0.032 0.000 2.473 566 L HA 0.185 4.572 4.340 0.078 0.000 0.268 566 L C 1.176 178.028 176.870 -0.031 0.000 1.215 566 L CA -0.230 54.587 54.840 -0.038 0.000 0.823 566 L CB 0.347 42.375 42.059 -0.051 0.000 1.099 566 L HN 0.702 nan 8.230 nan 0.000 0.483 567 T N -3.294 111.242 114.554 -0.031 0.000 2.729 567 T HA 0.040 4.436 4.350 0.078 0.000 0.298 567 T C 0.649 175.330 174.700 -0.031 0.000 1.013 567 T CA -0.608 61.476 62.100 -0.026 0.000 0.957 567 T CB 0.918 69.773 68.868 -0.022 0.000 1.130 567 T HN 0.558 nan 8.240 nan 0.000 0.526 568 D N -0.074 120.310 120.400 -0.027 0.000 2.305 568 D HA -0.025 4.662 4.640 0.078 0.000 0.206 568 D C 1.217 177.495 176.300 -0.036 0.000 0.974 568 D CA 0.509 54.492 54.000 -0.029 0.000 0.871 568 D CB 0.083 40.870 40.800 -0.021 0.000 0.947 568 D HN 0.539 nan 8.370 nan 0.000 0.516 569 D N 0.814 121.193 120.400 -0.036 0.000 2.149 569 D HA -0.134 4.552 4.640 0.078 0.000 0.201 569 D C 1.924 178.181 176.300 -0.071 0.000 0.972 569 D CA 0.589 54.563 54.000 -0.044 0.000 0.835 569 D CB -0.464 40.317 40.800 -0.032 0.000 0.966 569 D HN 0.260 nan 8.370 nan 0.000 0.476 570 Q N -0.278 119.479 119.800 -0.072 0.000 2.135 570 Q HA -0.086 4.301 4.340 0.078 0.000 0.204 570 Q C 1.626 177.554 176.000 -0.119 0.000 0.981 570 Q CA 0.655 56.395 55.803 -0.106 0.000 0.856 570 Q CB 0.047 28.735 28.738 -0.083 0.000 0.902 570 Q HN 0.188 nan 8.270 nan 0.000 0.425 571 L N 0.347 121.519 121.223 -0.085 0.000 2.465 571 L HA -0.081 4.306 4.340 0.078 0.000 0.224 571 L C 0.817 177.643 176.870 -0.074 0.000 1.145 571 L CA 1.462 56.257 54.840 -0.075 0.000 0.834 571 L CB -0.800 41.228 42.059 -0.051 0.000 0.944 571 L HN 0.271 nan 8.230 nan 0.000 0.451 572 N N -0.763 117.891 118.700 -0.077 0.000 2.270 572 N HA 0.158 4.945 4.740 0.078 0.000 0.198 572 N C 0.322 175.778 175.510 -0.089 0.000 1.117 572 N CA -0.216 52.793 53.050 -0.068 0.000 0.845 572 N CB 0.590 39.047 38.487 -0.049 0.000 0.980 572 N HN 0.210 nan 8.380 nan 0.000 0.486 573 I N 1.924 122.410 120.570 -0.141 0.000 2.587 573 I HA -0.052 4.164 4.170 0.078 0.000 0.284 573 I C 0.338 176.375 176.117 -0.132 0.000 1.134 573 I CA 0.274 61.460 61.300 -0.189 0.000 1.410 573 I CB 0.390 38.161 38.000 -0.382 0.000 1.392 573 I HN 0.037 nan 8.210 nan 0.000 0.545 574 T N 8.556 123.059 114.554 -0.084 0.000 2.817 574 T HA 0.134 4.531 4.350 0.078 0.000 0.295 574 T C -1.838 172.836 174.700 -0.043 0.000 0.958 574 T CA -0.862 61.212 62.100 -0.044 0.000 1.157 574 T CB -0.095 68.766 68.868 -0.012 0.000 0.898 574 T HN 0.455 nan 8.240 nan 0.000 0.536 575 P HA 0.171 nan 4.420 nan 0.000 0.268 575 P C -2.443 174.874 177.300 0.028 0.000 1.208 575 P CA -1.209 61.882 63.100 -0.015 0.000 0.777 575 P CB -0.266 31.434 31.700 -0.000 0.000 0.875 576 P HA 0.240 nan 4.420 nan 0.000 0.274 576 P C -2.282 175.071 177.300 0.088 0.000 1.246 576 P CA -1.354 61.811 63.100 0.108 0.000 0.795 576 P CB -0.963 30.843 31.700 0.177 0.000 1.006 577 P HA 0.101 nan 4.420 nan 0.000 0.274 577 P C -0.460 176.887 177.300 0.079 0.000 1.246 577 P CA -0.029 63.116 63.100 0.076 0.000 0.795 577 P CB 0.197 31.943 31.700 0.077 0.000 1.006 578 D N -0.599 119.840 120.400 0.066 0.000 2.371 578 D HA 0.122 4.808 4.640 0.078 0.000 0.242 578 D C -0.343 176.002 176.300 0.075 0.000 1.218 578 D CA -0.413 53.622 54.000 0.059 0.000 0.945 578 D CB -0.125 40.704 40.800 0.049 0.000 1.137 578 D HN -0.007 nan 8.370 nan 0.000 0.464 579 V N 1.512 121.463 119.914 0.062 0.000 2.334 579 V HA 0.144 4.310 4.120 0.078 0.000 0.267 579 V C 0.063 176.249 176.094 0.153 0.000 1.040 579 V CA -0.697 61.672 62.300 0.115 0.000 0.866 579 V CB -0.618 31.209 31.823 0.007 0.000 1.019 579 V HN 0.702 nan 8.190 nan 0.000 0.468 580 N N 4.423 123.223 118.700 0.167 0.000 2.710 580 N HA -0.239 4.548 4.740 0.078 0.000 0.249 580 N C 1.160 176.730 175.510 0.101 0.000 1.059 580 N CA 1.207 54.342 53.050 0.141 0.000 0.720 580 N CB -0.861 37.753 38.487 0.212 0.000 0.983 580 N HN 1.275 nan 8.380 nan 0.000 0.544 581 G N -2.368 106.479 108.800 0.077 0.000 2.217 581 G HA2 -0.309 3.697 3.960 0.078 0.000 0.246 581 G HA3 -0.309 3.697 3.960 0.078 0.000 0.246 581 G C 0.124 175.055 174.900 0.050 0.000 0.990 581 G CA 0.301 45.435 45.100 0.057 0.000 0.627 581 G HN 0.367 nan 8.290 nan 0.000 0.522 582 L N -0.191 121.065 121.223 0.055 0.000 2.395 582 L HA 0.526 4.912 4.340 0.078 0.000 0.269 582 L C 1.464 178.349 176.870 0.024 0.000 1.133 582 L CA -0.210 54.652 54.840 0.038 0.000 0.812 582 L CB 1.295 43.376 42.059 0.037 0.000 1.125 582 L HN 0.064 nan 8.230 nan 0.000 0.452 583 K N 1.002 121.410 120.400 0.013 0.000 2.380 583 K HA 0.136 4.503 4.320 0.078 0.000 0.198 583 K C -0.556 176.036 176.600 -0.013 0.000 1.070 583 K CA 0.197 56.488 56.287 0.006 0.000 1.040 583 K CB 0.629 33.132 32.500 0.005 0.000 0.903 583 K HN 0.567 nan 8.250 nan 0.000 0.549 584 K N -0.854 119.535 120.400 -0.018 0.000 2.607 584 K HA 0.290 4.657 4.320 0.078 0.000 0.287 584 K C -1.915 174.670 176.600 -0.025 0.000 0.996 584 K CA -1.077 55.184 56.287 -0.042 0.000 0.876 584 K CB 1.510 33.963 32.500 -0.078 0.000 1.496 584 K HN -0.274 nan 8.250 nan 0.000 0.415 585 D N 1.413 121.793 120.400 -0.032 0.000 2.365 585 D HA 0.240 4.926 4.640 0.078 0.000 0.235 585 D C -2.126 174.165 176.300 -0.015 0.000 1.368 585 D CA -1.992 52.009 54.000 0.002 0.000 1.001 585 D CB 1.902 42.725 40.800 0.038 0.000 1.364 585 D HN 0.290 nan 8.370 nan 0.000 0.577 586 P HA -0.075 nan 4.420 nan 0.000 0.234 586 P C 1.178 178.478 177.300 -0.001 0.000 1.167 586 P CA 0.543 63.618 63.100 -0.042 0.000 0.763 586 P CB 0.043 31.722 31.700 -0.036 0.000 0.835 587 S N -0.749 114.983 115.700 0.052 0.000 2.507 587 S HA -0.034 4.482 4.470 0.078 0.000 0.235 587 S C 1.741 176.434 174.600 0.155 0.000 0.988 587 S CA 0.533 58.800 58.200 0.111 0.000 0.944 587 S CB -1.359 61.929 63.200 0.146 0.000 0.762 587 S HN 0.138 nan 8.310 nan 0.000 0.526 588 L N 1.168 122.450 121.223 0.099 0.000 2.418 588 L HA 0.199 4.586 4.340 0.078 0.000 0.218 588 L C 1.552 178.343 176.870 -0.133 0.000 1.125 588 L CA 0.163 55.054 54.840 0.085 0.000 0.835 588 L CB -0.406 41.685 42.059 0.053 0.000 0.953 588 L HN 0.352 nan 8.230 nan 0.000 0.454 589 S N -0.452 115.149 115.700 -0.164 0.000 2.632 589 S HA 0.301 4.818 4.470 0.078 0.000 0.271 589 S C 1.029 175.523 174.600 -0.177 0.000 1.260 589 S CA -0.608 57.439 58.200 -0.255 0.000 1.010 589 S CB 1.477 64.523 63.200 -0.256 0.000 0.965 589 S HN 0.150 nan 8.310 nan 0.000 0.534 590 L N 2.077 123.127 121.223 -0.288 0.000 2.162 590 L HA 0.101 4.487 4.340 0.078 0.000 0.205 590 L C 0.655 177.262 176.870 -0.439 0.000 1.086 590 L CA 0.933 55.501 54.840 -0.454 0.000 0.778 590 L CB -0.194 41.325 42.059 -0.899 0.000 0.928 590 L HN 0.774 nan 8.230 nan 0.000 0.446 591 Y N -2.209 118.072 120.300 -0.032 0.000 2.527 591 Y HA 0.373 4.969 4.550 0.077 0.000 0.247 591 Y C 1.899 177.795 175.900 -0.007 0.000 1.138 591 Y CA -0.066 58.057 58.100 0.039 0.000 1.228 591 Y CB -0.397 38.127 38.460 0.106 0.000 1.252 591 Y HN -0.036 nan 8.280 nan 0.000 0.531 592 A N 0.743 123.574 122.820 0.018 0.000 1.845 592 A HA -0.050 4.317 4.320 0.078 0.000 0.215 592 A C 0.776 178.389 177.584 0.048 0.000 1.195 592 A CA 1.233 53.262 52.037 -0.014 0.000 0.616 592 A CB -0.722 18.226 19.000 -0.087 0.000 0.832 592 A HN 0.236 nan 8.150 nan 0.000 0.443 593 I N 2.039 122.641 120.570 0.053 0.000 2.306 593 I HA 0.260 4.477 4.170 0.078 0.000 0.288 593 I C -2.186 173.997 176.117 0.110 0.000 1.036 593 I CA -2.115 59.229 61.300 0.073 0.000 1.221 593 I CB 1.212 39.248 38.000 0.059 0.000 1.385 593 I HN 0.175 nan 8.210 nan 0.000 0.472 594 P HA 0.203 nan 4.420 nan 0.000 0.275 594 P C -0.621 176.761 177.300 0.136 0.000 1.228 594 P CA -0.083 63.127 63.100 0.183 0.000 0.786 594 P CB 1.213 33.034 31.700 0.202 0.000 0.927 595 D N -0.499 119.984 120.400 0.138 0.000 2.615 595 D HA 0.121 4.807 4.640 0.078 0.000 0.274 595 D C 0.777 177.133 176.300 0.093 0.000 1.512 595 D CA -0.348 53.713 54.000 0.101 0.000 0.803 595 D CB -0.744 40.109 40.800 0.089 0.000 1.182 595 D HN 0.382 nan 8.370 nan 0.000 0.473 596 G N 0.356 109.226 108.800 0.117 0.000 2.353 596 G HA2 0.323 4.330 3.960 0.078 0.000 0.239 596 G HA3 0.323 4.330 3.960 0.078 0.000 0.239 596 G C -0.618 174.322 174.900 0.067 0.000 1.295 596 G CA 0.067 45.226 45.100 0.099 0.000 0.884 596 G HN 0.171 nan 8.290 nan 0.000 0.537 597 D N 0.220 120.648 120.400 0.047 0.000 2.498 597 D HA 0.307 4.994 4.640 0.078 0.000 0.247 597 D C 1.069 177.382 176.300 0.021 0.000 1.070 597 D CA -0.452 53.564 54.000 0.027 0.000 0.842 597 D CB 2.074 42.882 40.800 0.013 0.000 1.361 597 D HN 0.321 nan 8.370 nan 0.000 0.484 598 V N 1.203 121.121 119.914 0.008 0.000 3.235 598 V HA 0.209 4.376 4.120 0.078 0.000 0.259 598 V C 0.970 177.046 176.094 -0.030 0.000 1.133 598 V CA 0.271 62.571 62.300 -0.002 0.000 1.128 598 V CB -0.959 30.858 31.823 -0.010 0.000 0.757 598 V HN 0.432 nan 8.190 nan 0.000 0.469 599 K N 1.753 122.129 120.400 -0.039 0.000 2.466 599 K HA 0.366 4.733 4.320 0.078 0.000 0.278 599 K C 1.184 177.746 176.600 -0.062 0.000 1.048 599 K CA 1.385 57.630 56.287 -0.071 0.000 1.088 599 K CB -0.151 32.314 32.500 -0.058 0.000 0.884 599 K HN 0.806 nan 8.250 nan 0.000 0.478 600 G N 3.293 112.029 108.800 -0.107 0.000 2.234 600 G HA2 -0.219 3.787 3.960 0.078 0.000 0.235 600 G HA3 -0.219 3.787 3.960 0.078 0.000 0.235 600 G C 0.015 174.939 174.900 0.039 0.000 0.997 600 G CA -0.169 44.919 45.100 -0.020 0.000 0.623 600 G HN 0.570 nan 8.290 nan 0.000 0.514 601 R N 0.056 120.564 120.500 0.014 0.000 2.801 601 R HA 0.605 4.992 4.340 0.078 0.000 0.273 601 R C 0.316 176.665 176.300 0.082 0.000 1.080 601 R CA 0.006 56.143 56.100 0.063 0.000 1.197 601 R CB 0.565 30.897 30.300 0.054 0.000 1.109 601 R HN 0.336 nan 8.270 nan 0.000 0.535 602 V N 0.436 120.420 119.914 0.116 0.000 2.914 602 V HA 0.463 4.629 4.120 0.078 0.000 0.314 602 V C -0.259 175.899 176.094 0.107 0.000 1.084 602 V CA -0.891 61.493 62.300 0.140 0.000 0.963 602 V CB 2.489 34.413 31.823 0.168 0.000 1.025 602 V HN 0.358 nan 8.190 nan 0.000 0.432 603 V N 2.056 122.029 119.914 0.100 0.000 2.656 603 V HA 0.806 4.973 4.120 0.078 0.000 0.307 603 V C 0.167 176.311 176.094 0.084 0.000 1.051 603 V CA -0.508 61.838 62.300 0.076 0.000 0.893 603 V CB 2.079 33.931 31.823 0.049 0.000 0.999 603 V HN 1.087 nan 8.190 nan 0.000 0.426 604 A N 6.038 128.909 122.820 0.085 0.000 2.309 604 A HA 0.812 5.178 4.320 0.078 0.000 0.298 604 A C -0.603 176.983 177.584 0.004 0.000 1.165 604 A CA -0.272 51.802 52.037 0.061 0.000 0.821 604 A CB 0.265 19.308 19.000 0.073 0.000 1.102 604 A HN 0.743 nan 8.150 nan 0.000 0.500 605 I N 2.990 123.563 120.570 0.005 0.000 2.382 605 I HA 0.165 4.381 4.170 0.078 0.000 0.285 605 I C -1.073 175.048 176.117 0.007 0.000 1.007 605 I CA -0.621 60.682 61.300 0.005 0.000 1.142 605 I CB 1.586 39.603 38.000 0.029 0.000 1.289 605 I HN 0.387 nan 8.210 nan 0.000 0.453 606 L N 7.679 128.884 121.223 -0.029 0.000 2.363 606 L HA 0.317 4.704 4.340 0.078 0.000 0.286 606 L C 0.211 177.160 176.870 0.132 0.000 1.106 606 L CA 0.374 55.241 54.840 0.046 0.000 0.859 606 L CB -0.083 41.865 42.059 -0.185 0.000 1.223 606 L HN 0.424 nan 8.230 nan 0.000 0.446 607 L N 3.342 124.682 121.223 0.195 0.000 2.479 607 L HA 0.341 4.727 4.340 0.078 0.000 0.248 607 L C 0.291 177.304 176.870 0.238 0.000 1.205 607 L CA -0.434 54.479 54.840 0.122 0.000 0.817 607 L CB 0.645 42.687 42.059 -0.028 0.000 1.162 607 L HN 0.777 nan 8.230 nan 0.000 0.486 608 N N -2.427 116.327 118.700 0.090 0.000 2.774 608 N HA 0.185 4.971 4.740 0.078 0.000 0.264 608 N C -0.426 175.034 175.510 -0.084 0.000 1.415 608 N CA -0.744 52.399 53.050 0.155 0.000 0.815 608 N CB 0.632 39.223 38.487 0.173 0.000 1.514 608 N HN 0.509 nan 8.380 nan 0.000 0.523 609 D N -1.686 118.700 120.400 -0.023 0.000 2.378 609 D HA -0.076 4.610 4.640 0.078 0.000 0.227 609 D C -0.163 176.100 176.300 -0.063 0.000 1.012 609 D CA 0.859 54.803 54.000 -0.095 0.000 0.905 609 D CB -0.022 40.795 40.800 0.029 0.000 0.895 609 D HN 0.738 nan 8.370 nan 0.000 0.532 610 E N 0.338 120.517 120.200 -0.035 0.000 3.832 610 E HA 0.218 4.614 4.350 0.078 0.000 0.250 610 E C -1.330 175.256 176.600 -0.023 0.000 1.215 610 E CA -0.523 55.861 56.400 -0.027 0.000 1.179 610 E CB 0.336 30.031 29.700 -0.009 0.000 1.270 610 E HN -0.098 nan 8.360 nan 0.000 0.405 611 V N 1.944 121.836 119.914 -0.038 0.000 2.763 611 V HA 0.142 4.309 4.120 0.078 0.000 0.306 611 V C 0.763 176.841 176.094 -0.026 0.000 1.059 611 V CA 0.010 62.294 62.300 -0.028 0.000 1.138 611 V CB 0.727 32.527 31.823 -0.039 0.000 0.940 611 V HN 0.449 nan 8.190 nan 0.000 0.489 612 R N 3.349 123.835 120.500 -0.024 0.000 2.309 612 R HA 0.162 4.549 4.340 0.078 0.000 0.331 612 R C 1.383 177.664 176.300 -0.032 0.000 1.116 612 R CA 0.446 56.528 56.100 -0.029 0.000 0.970 612 R CB 0.036 30.315 30.300 -0.035 0.000 1.024 612 R HN 0.872 nan 8.270 nan 0.000 0.472 613 S N 2.955 118.638 115.700 -0.029 0.000 2.392 613 S HA -0.305 4.212 4.470 0.078 0.000 0.232 613 S C 1.722 176.306 174.600 -0.026 0.000 1.041 613 S CA 1.692 59.876 58.200 -0.026 0.000 1.026 613 S CB -0.187 62.999 63.200 -0.023 0.000 0.845 613 S HN 0.755 nan 8.310 nan 0.000 0.465 614 A N 1.105 123.906 122.820 -0.032 0.000 2.067 614 A HA -0.028 4.338 4.320 0.078 0.000 0.217 614 A C 1.733 179.289 177.584 -0.048 0.000 1.156 614 A CA 1.072 53.088 52.037 -0.035 0.000 0.683 614 A CB -0.299 18.679 19.000 -0.036 0.000 0.808 614 A HN 0.302 nan 8.150 nan 0.000 0.455 615 D N -0.032 120.334 120.400 -0.058 0.000 2.103 615 D HA -0.070 4.617 4.640 0.078 0.000 0.199 615 D C 1.995 178.270 176.300 -0.040 0.000 0.978 615 D CA 0.607 54.559 54.000 -0.079 0.000 0.829 615 D CB -0.225 40.519 40.800 -0.093 0.000 0.981 615 D HN 0.313 nan 8.370 nan 0.000 0.464 616 L N 0.106 121.315 121.223 -0.023 0.000 1.956 616 L HA -0.221 4.165 4.340 0.078 0.000 0.216 616 L C 2.360 179.231 176.870 0.002 0.000 1.073 616 L CA 1.085 55.922 54.840 -0.006 0.000 0.762 616 L CB -0.486 41.567 42.059 -0.009 0.000 0.889 616 L HN 0.126 nan 8.230 nan 0.000 0.433 617 L N -0.149 121.071 121.223 -0.005 0.000 2.042 617 L HA -0.198 4.188 4.340 0.078 0.000 0.210 617 L C 2.785 179.658 176.870 0.005 0.000 1.076 617 L CA 2.050 56.890 54.840 -0.000 0.000 0.749 617 L CB -1.241 40.815 42.059 -0.006 0.000 0.893 617 L HN 0.233 nan 8.230 nan 0.000 0.432 618 A N -0.406 122.414 122.820 -0.001 0.000 1.883 618 A HA -0.214 4.152 4.320 0.078 0.000 0.217 618 A C 2.338 179.942 177.584 0.034 0.000 1.186 618 A CA 2.057 54.099 52.037 0.008 0.000 0.624 618 A CB -0.797 18.197 19.000 -0.011 0.000 0.822 618 A HN 0.374 nan 8.150 nan 0.000 0.444 619 I N -0.461 120.134 120.570 0.042 0.000 2.113 619 I HA -0.265 3.952 4.170 0.078 0.000 0.238 619 I C 2.417 178.565 176.117 0.052 0.000 1.070 619 I CA 1.311 62.655 61.300 0.074 0.000 1.332 619 I CB -0.386 37.664 38.000 0.084 0.000 1.044 619 I HN 0.281 nan 8.210 nan 0.000 0.402 620 L N 0.606 121.850 121.223 0.036 0.000 2.127 620 L HA -0.245 4.141 4.340 0.078 0.000 0.211 620 L C 2.630 179.514 176.870 0.023 0.000 1.089 620 L CA 1.365 56.223 54.840 0.029 0.000 0.757 620 L CB -0.558 41.515 42.059 0.023 0.000 0.899 620 L HN 0.290 nan 8.230 nan 0.000 0.434 621 K N 0.413 120.825 120.400 0.021 0.000 2.057 621 K HA -0.164 4.202 4.320 0.078 0.000 0.206 621 K C 2.133 178.742 176.600 0.015 0.000 1.050 621 K CA 1.316 57.612 56.287 0.016 0.000 0.935 621 K CB -0.037 32.471 32.500 0.014 0.000 0.715 621 K HN 0.244 nan 8.250 nan 0.000 0.439 622 A N 1.404 124.237 122.820 0.023 0.000 1.897 622 A HA -0.058 4.309 4.320 0.078 0.000 0.215 622 A C 2.132 179.720 177.584 0.007 0.000 1.181 622 A CA 1.032 53.080 52.037 0.019 0.000 0.620 622 A CB -0.544 18.477 19.000 0.035 0.000 0.821 622 A HN 0.295 nan 8.150 nan 0.000 0.443 623 L N -0.458 120.770 121.223 0.009 0.000 1.989 623 L HA -0.231 4.155 4.340 0.078 0.000 0.211 623 L C 2.639 179.492 176.870 -0.027 0.000 1.071 623 L CA 1.983 56.818 54.840 -0.009 0.000 0.749 623 L CB -0.556 41.506 42.059 0.005 0.000 0.890 623 L HN 0.380 nan 8.230 nan 0.000 0.431 624 K N 0.270 120.663 120.400 -0.012 0.000 2.089 624 K HA -0.264 4.103 4.320 0.078 0.000 0.210 624 K C 2.122 178.709 176.600 -0.022 0.000 1.048 624 K CA 1.698 57.976 56.287 -0.015 0.000 0.926 624 K CB -0.162 32.340 32.500 0.004 0.000 0.714 624 K HN 0.332 nan 8.250 nan 0.000 0.448 625 A N 1.329 124.141 122.820 -0.014 0.000 1.908 625 A HA -0.146 4.221 4.320 0.078 0.000 0.218 625 A C 1.723 179.293 177.584 -0.024 0.000 1.181 625 A CA 1.495 53.524 52.037 -0.013 0.000 0.627 625 A CB -0.176 18.820 19.000 -0.005 0.000 0.818 625 A HN 0.189 nan 8.150 nan 0.000 0.445 626 K N -1.134 119.246 120.400 -0.033 0.000 2.417 626 K HA 0.173 4.540 4.320 0.078 0.000 0.196 626 K C 0.889 177.444 176.600 -0.075 0.000 1.023 626 K CA 0.637 56.898 56.287 -0.043 0.000 1.122 626 K CB -0.116 32.363 32.500 -0.036 0.000 0.850 626 K HN 0.738 nan 8.250 nan 0.000 0.521 627 G N 1.666 110.407 108.800 -0.100 0.000 2.221 627 G HA2 -0.230 3.777 3.960 0.078 0.000 0.265 627 G HA3 -0.230 3.777 3.960 0.078 0.000 0.265 627 G C 0.028 174.746 174.900 -0.303 0.000 1.041 627 G CA 0.135 45.132 45.100 -0.173 0.000 0.807 627 G HN 0.126 nan 8.290 nan 0.000 0.502 628 V N 0.638 120.409 119.914 -0.238 0.000 2.439 628 V HA 0.486 4.652 4.120 0.078 0.000 0.282 628 V C 0.734 176.671 176.094 -0.262 0.000 1.039 628 V CA -0.763 61.394 62.300 -0.237 0.000 0.913 628 V CB 1.155 32.922 31.823 -0.093 0.000 0.983 628 V HN 0.470 nan 8.190 nan 0.000 0.460 629 H N 1.853 120.933 119.070 0.016 0.000 2.508 629 H HA 0.768 5.370 4.556 0.078 0.000 0.358 629 H C 0.228 175.573 175.328 0.028 0.000 1.212 629 H CA 0.104 56.164 56.048 0.020 0.000 1.356 629 H CB 1.305 31.079 29.762 0.021 0.000 1.525 629 H HN 0.843 nan 8.280 nan 0.000 0.578 630 A N 1.102 124.030 122.820 0.180 0.000 2.423 630 A HA 0.587 4.953 4.320 0.078 0.000 0.304 630 A C -1.013 176.626 177.584 0.093 0.000 1.104 630 A CA -0.932 51.171 52.037 0.110 0.000 0.757 630 A CB 1.324 20.370 19.000 0.076 0.000 1.313 630 A HN 0.692 nan 8.150 nan 0.000 0.423 631 K N 1.780 122.228 120.400 0.080 0.000 2.579 631 K HA 0.412 4.778 4.320 0.078 0.000 0.250 631 K C -1.483 175.151 176.600 0.056 0.000 0.952 631 K CA -0.262 56.067 56.287 0.070 0.000 0.857 631 K CB 1.651 34.205 32.500 0.089 0.000 1.123 631 K HN 0.606 nan 8.250 nan 0.000 0.433 632 L N 4.962 126.209 121.223 0.041 0.000 2.325 632 L HA 0.259 4.646 4.340 0.078 0.000 0.284 632 L C -0.465 176.423 176.870 0.030 0.000 1.089 632 L CA -0.671 54.187 54.840 0.029 0.000 0.836 632 L CB -0.092 41.972 42.059 0.010 0.000 1.184 632 L HN 0.258 nan 8.230 nan 0.000 0.444 633 L N 4.389 125.641 121.223 0.049 0.000 2.334 633 L HA 0.596 4.982 4.340 0.078 0.000 0.272 633 L C -0.437 176.425 176.870 -0.014 0.000 1.020 633 L CA -0.264 54.592 54.840 0.026 0.000 0.812 633 L CB 1.461 43.592 42.059 0.121 0.000 1.264 633 L HN 0.292 nan 8.230 nan 0.000 0.439 634 Y N -1.052 118.913 120.300 -0.557 0.000 2.744 634 Y HA 0.261 4.857 4.550 0.077 0.000 0.330 634 Y C 0.931 176.113 175.900 -1.196 0.000 1.263 634 Y CA -0.747 56.882 58.100 -0.785 0.000 1.065 634 Y CB 1.475 39.751 38.460 -0.307 0.000 1.306 634 Y HN 0.575 nan 8.280 nan 0.000 0.459 635 S N 0.785 115.602 115.700 -1.472 0.000 2.561 635 S HA 0.174 4.691 4.470 0.078 0.000 0.225 635 S C 0.211 174.493 174.600 -0.529 0.000 0.977 635 S CA 0.690 58.342 58.200 -0.913 0.000 0.926 635 S CB -0.185 62.596 63.200 -0.698 0.000 0.769 635 S HN 0.651 nan 8.310 nan 0.000 0.533 636 R N -1.607 118.653 120.500 -0.399 0.000 2.844 636 R HA 0.655 5.042 4.340 0.078 0.000 0.264 636 R C -1.037 175.251 176.300 -0.020 0.000 1.077 636 R CA -1.108 54.908 56.100 -0.139 0.000 0.953 636 R CB 0.421 30.672 30.300 -0.081 0.000 1.272 636 R HN -0.032 nan 8.270 nan 0.000 0.447 637 M N -0.345 119.256 119.600 0.002 0.000 2.679 637 M HA 0.650 5.177 4.480 0.078 0.000 0.287 637 M C 0.730 177.050 176.300 0.032 0.000 1.202 637 M CA 0.400 55.708 55.300 0.015 0.000 0.911 637 M CB 0.931 33.530 32.600 -0.001 0.000 1.556 637 M HN 1.049 nan 8.290 nan 0.000 0.511 638 G N 1.125 109.935 108.800 0.017 0.000 2.501 638 G HA2 -0.094 3.913 3.960 0.078 0.000 0.213 638 G HA3 -0.094 3.913 3.960 0.078 0.000 0.213 638 G C -1.294 173.605 174.900 -0.002 0.000 1.158 638 G CA -0.508 44.598 45.100 0.011 0.000 1.079 638 G HN 0.646 nan 8.290 nan 0.000 0.586 639 E N -1.003 119.188 120.200 -0.015 0.000 2.408 639 E HA 0.643 5.040 4.350 0.078 0.000 0.275 639 E C -0.326 176.225 176.600 -0.082 0.000 0.935 639 E CA -0.680 55.693 56.400 -0.046 0.000 0.775 639 E CB 2.770 32.448 29.700 -0.036 0.000 1.277 639 E HN 1.282 nan 8.360 nan 0.000 0.455 640 V N -1.802 118.030 119.914 -0.137 0.000 3.019 640 V HA 0.766 4.932 4.120 0.078 0.000 0.317 640 V C -0.356 175.667 176.094 -0.119 0.000 1.094 640 V CA -0.724 61.465 62.300 -0.186 0.000 1.000 640 V CB 1.930 33.539 31.823 -0.357 0.000 1.060 640 V HN 0.662 nan 8.190 nan 0.000 0.443 641 T N 2.289 116.782 114.554 -0.102 0.000 2.786 641 T HA 0.742 5.139 4.350 0.078 0.000 0.283 641 T C 0.350 175.011 174.700 -0.066 0.000 0.992 641 T CA 0.316 62.376 62.100 -0.068 0.000 0.954 641 T CB 1.268 70.108 68.868 -0.046 0.000 0.934 641 T HN 1.317 nan 8.240 nan 0.000 0.440 642 A N 2.496 125.282 122.820 -0.056 0.000 2.364 642 A HA 0.244 4.611 4.320 0.078 0.000 0.258 642 A C 1.532 179.095 177.584 -0.035 0.000 1.131 642 A CA 0.157 52.166 52.037 -0.046 0.000 0.800 642 A CB -0.012 18.965 19.000 -0.038 0.000 1.086 642 A HN 0.910 nan 8.150 nan 0.000 0.508 643 D N -0.875 119.507 120.400 -0.029 0.000 2.183 643 D HA -0.130 4.556 4.640 0.078 0.000 0.203 643 D C 0.666 176.954 176.300 -0.020 0.000 0.969 643 D CA 1.290 55.276 54.000 -0.023 0.000 0.842 643 D CB -0.321 40.467 40.800 -0.021 0.000 0.957 643 D HN 0.560 nan 8.370 nan 0.000 0.484 644 D N -0.894 119.493 120.400 -0.021 0.000 2.319 644 D HA 0.174 4.861 4.640 0.078 0.000 0.230 644 D C 1.643 177.933 176.300 -0.018 0.000 1.094 644 D CA 0.423 54.412 54.000 -0.018 0.000 0.856 644 D CB -0.198 40.591 40.800 -0.017 0.000 0.915 644 D HN 0.371 nan 8.370 nan 0.000 0.517 645 G N -0.215 108.573 108.800 -0.020 0.000 2.176 645 G HA2 -0.274 3.732 3.960 0.078 0.000 0.253 645 G HA3 -0.274 3.732 3.960 0.078 0.000 0.253 645 G C 0.401 175.288 174.900 -0.022 0.000 0.979 645 G CA 0.293 45.381 45.100 -0.020 0.000 0.641 645 G HN 0.428 nan 8.290 nan 0.000 0.530 646 T N 2.106 116.646 114.554 -0.023 0.000 2.754 646 T HA 0.397 4.794 4.350 0.078 0.000 0.282 646 T C 0.900 175.581 174.700 -0.031 0.000 0.923 646 T CA 0.023 62.109 62.100 -0.024 0.000 1.164 646 T CB 1.534 70.389 68.868 -0.022 0.000 0.873 646 T HN 0.503 nan 8.240 nan 0.000 0.537 647 V N 5.926 125.824 119.914 -0.028 0.000 2.475 647 V HA 0.017 4.183 4.120 0.078 0.000 0.292 647 V C 0.162 176.235 176.094 -0.035 0.000 1.003 647 V CA -0.063 62.218 62.300 -0.033 0.000 1.120 647 V CB -0.375 31.434 31.823 -0.023 0.000 0.937 647 V HN 0.533 nan 8.190 nan 0.000 0.476 648 L N 9.460 130.652 121.223 -0.051 0.000 2.305 648 L HA 0.577 4.963 4.340 0.078 0.000 0.284 648 L C -2.105 174.733 176.870 -0.053 0.000 1.013 648 L CA -2.139 52.671 54.840 -0.051 0.000 0.819 648 L CB 1.827 43.847 42.059 -0.066 0.000 1.227 648 L HN 0.403 nan 8.230 nan 0.000 0.417 649 P HA 0.361 nan 4.420 nan 0.000 0.282 649 P C -0.614 176.672 177.300 -0.023 0.000 1.249 649 P CA -0.370 62.715 63.100 -0.025 0.000 0.806 649 P CB 1.350 33.043 31.700 -0.012 0.000 0.984 650 I N 1.848 122.408 120.570 -0.017 0.000 2.359 650 I HA 0.277 4.494 4.170 0.078 0.000 0.294 650 I C 1.505 177.623 176.117 0.002 0.000 0.987 650 I CA -0.503 60.792 61.300 -0.008 0.000 1.225 650 I CB 1.632 39.635 38.000 0.004 0.000 1.366 650 I HN 0.362 nan 8.210 nan 0.000 0.466 651 A N 5.142 127.967 122.820 0.008 0.000 1.903 651 A HA 0.575 4.941 4.320 0.078 0.000 0.213 651 A C 0.976 178.572 177.584 0.019 0.000 1.185 651 A CA 1.244 53.291 52.037 0.017 0.000 0.628 651 A CB 0.034 19.051 19.000 0.029 0.000 0.830 651 A HN 0.795 nan 8.150 nan 0.000 0.446 652 A N -2.082 120.748 122.820 0.016 0.000 2.581 652 A HA 0.600 4.967 4.320 0.078 0.000 0.290 652 A C -0.034 177.535 177.584 -0.026 0.000 1.119 652 A CA 0.115 52.161 52.037 0.016 0.000 0.670 652 A CB -0.116 18.916 19.000 0.053 0.000 1.280 652 A HN 0.687 nan 8.150 nan 0.000 0.425 653 T N -1.845 112.686 114.554 -0.037 0.000 2.862 653 T HA 0.565 4.962 4.350 0.078 0.000 0.276 653 T C 0.893 175.596 174.700 0.004 0.000 0.974 653 T CA -0.123 61.891 62.100 -0.143 0.000 0.966 653 T CB 0.165 68.968 68.868 -0.108 0.000 1.072 653 T HN 0.439 nan 8.240 nan 0.000 0.538 654 F N 0.214 120.203 119.950 0.065 0.000 2.202 654 F HA -0.031 4.543 4.527 0.078 0.000 0.301 654 F C 2.898 178.812 175.800 0.189 0.000 1.082 654 F CA 0.738 58.831 58.000 0.156 0.000 1.313 654 F CB -0.454 38.614 39.000 0.113 0.000 1.024 654 F HN 0.698 nan 8.300 nan 0.000 0.495 655 A N 0.339 123.312 122.820 0.255 0.000 1.898 655 A HA 0.067 4.434 4.320 0.078 0.000 0.214 655 A C 2.447 180.098 177.584 0.111 0.000 1.183 655 A CA 1.262 53.392 52.037 0.154 0.000 0.622 655 A CB -1.416 17.635 19.000 0.085 0.000 0.824 655 A HN 0.356 nan 8.150 nan 0.000 0.444 656 G N -0.715 108.141 108.800 0.094 0.000 2.448 656 G HA2 0.224 4.231 3.960 0.078 0.000 0.219 656 G HA3 0.224 4.231 3.960 0.078 0.000 0.219 656 G C 0.638 175.596 174.900 0.096 0.000 1.127 656 G CA 1.148 46.290 45.100 0.071 0.000 0.766 656 G HN 1.217 nan 8.290 nan 0.000 0.552 657 A N 0.349 123.263 122.820 0.156 0.000 3.127 657 A HA 0.689 5.056 4.320 0.078 0.000 0.319 657 A C -2.747 174.984 177.584 0.245 0.000 1.104 657 A CA -1.039 51.102 52.037 0.174 0.000 0.802 657 A CB 1.335 20.437 19.000 0.170 0.000 1.193 657 A HN 0.080 nan 8.150 nan 0.000 0.479 658 P HA 0.047 nan 4.420 nan 0.000 0.271 658 P C 1.442 178.583 177.300 -0.265 0.000 1.233 658 P CA 0.417 63.454 63.100 -0.105 0.000 0.789 658 P CB 0.792 32.428 31.700 -0.107 0.000 0.951 659 S N 0.820 116.025 115.700 -0.824 0.000 2.419 659 S HA -0.172 4.345 4.470 0.078 0.000 0.235 659 S C 1.760 176.238 174.600 -0.204 0.000 1.019 659 S CA 1.292 59.142 58.200 -0.583 0.000 0.982 659 S CB -1.076 61.703 63.200 -0.702 0.000 0.789 659 S HN 0.186 nan 8.310 nan 0.000 0.490 660 L N 2.557 123.668 121.223 -0.187 0.000 2.129 660 L HA -0.054 4.333 4.340 0.078 0.000 0.212 660 L C 2.837 179.576 176.870 -0.218 0.000 1.087 660 L CA 2.201 56.937 54.840 -0.173 0.000 0.757 660 L CB -1.811 40.124 42.059 -0.207 0.000 0.896 660 L HN 0.797 nan 8.230 nan 0.000 0.434 661 T N -4.068 110.429 114.554 -0.095 0.000 3.107 661 T HA 0.251 4.648 4.350 0.078 0.000 0.249 661 T C 0.400 175.223 174.700 0.205 0.000 1.096 661 T CA 0.318 62.456 62.100 0.063 0.000 1.012 661 T CB -0.385 68.606 68.868 0.205 0.000 0.977 661 T HN 0.033 nan 8.240 nan 0.000 0.527 662 V N -2.323 117.665 119.914 0.124 0.000 3.046 662 V HA 0.570 4.736 4.120 0.078 0.000 0.316 662 V C -0.030 176.121 176.094 0.094 0.000 1.104 662 V CA -0.996 61.391 62.300 0.146 0.000 1.006 662 V CB 2.109 34.027 31.823 0.158 0.000 1.058 662 V HN 0.033 nan 8.190 nan 0.000 0.440 663 D N 0.949 121.403 120.400 0.090 0.000 2.346 663 D HA 0.449 5.136 4.640 0.078 0.000 0.206 663 D C 0.585 176.881 176.300 -0.007 0.000 1.001 663 D CA 1.469 55.495 54.000 0.043 0.000 0.871 663 D CB 1.412 42.255 40.800 0.071 0.000 0.943 663 D HN 0.927 nan 8.370 nan 0.000 0.518 664 A N 0.184 123.012 122.820 0.014 0.000 2.599 664 A HA 0.560 4.927 4.320 0.078 0.000 0.290 664 A C -1.570 176.027 177.584 0.020 0.000 1.101 664 A CA -0.540 51.488 52.037 -0.015 0.000 0.674 664 A CB 1.729 20.703 19.000 -0.044 0.000 1.277 664 A HN -0.091 nan 8.150 nan 0.000 0.419 665 V N 0.874 120.788 119.914 -0.000 0.000 2.577 665 V HA 0.555 4.722 4.120 0.078 0.000 0.303 665 V C -0.917 175.162 176.094 -0.025 0.000 1.042 665 V CA -0.124 62.178 62.300 0.003 0.000 0.872 665 V CB 1.416 33.249 31.823 0.016 0.000 0.998 665 V HN 0.679 nan 8.190 nan 0.000 0.423 666 I N 4.488 125.050 120.570 -0.014 0.000 2.465 666 I HA 0.595 4.812 4.170 0.078 0.000 0.291 666 I C -0.755 175.370 176.117 0.013 0.000 1.014 666 I CA -0.939 60.379 61.300 0.031 0.000 1.093 666 I CB 2.313 40.365 38.000 0.087 0.000 1.267 666 I HN 0.297 nan 8.210 nan 0.000 0.431 667 V N 7.045 126.984 119.914 0.042 0.000 2.325 667 V HA 0.372 4.539 4.120 0.078 0.000 0.280 667 V C -2.174 173.972 176.094 0.087 0.000 1.016 667 V CA -1.452 60.864 62.300 0.027 0.000 0.818 667 V CB 0.953 32.760 31.823 -0.027 0.000 1.019 667 V HN 0.560 nan 8.190 nan 0.000 0.434 668 P HA 0.280 nan 4.420 nan 0.000 0.279 668 P C 0.115 177.432 177.300 0.028 0.000 1.276 668 P CA -0.310 62.805 63.100 0.025 0.000 0.801 668 P CB 1.500 33.206 31.700 0.009 0.000 1.127 669 C N -0.679 118.616 119.300 -0.009 0.000 2.574 669 C HA 0.782 5.289 4.460 0.078 0.000 0.335 669 C C 1.151 176.147 174.990 0.009 0.000 1.493 669 C CA 1.478 60.498 59.018 0.004 0.000 2.217 669 C CB -0.403 27.322 27.740 -0.024 0.000 2.056 669 C HN 0.947 nan 8.230 nan 0.000 0.607 670 G N 0.650 109.455 108.800 0.009 0.000 2.250 670 G HA2 -0.054 3.952 3.960 0.078 0.000 0.252 670 G HA3 -0.054 3.952 3.960 0.078 0.000 0.252 670 G C -0.594 174.318 174.900 0.019 0.000 1.325 670 G CA -0.069 45.035 45.100 0.008 0.000 1.091 670 G HN 1.010 nan 8.290 nan 0.000 0.476 671 N N 1.228 119.943 118.700 0.025 0.000 2.670 671 N HA 0.058 4.844 4.740 0.078 0.000 0.296 671 N C 1.395 176.938 175.510 0.055 0.000 1.216 671 N CA -0.539 52.531 53.050 0.032 0.000 1.123 671 N CB -0.186 38.322 38.487 0.035 0.000 1.459 671 N HN 0.382 nan 8.380 nan 0.000 0.509 672 I N 2.124 122.717 120.570 0.039 0.000 2.567 672 I HA -0.198 4.019 4.170 0.078 0.000 0.257 672 I C 2.303 178.428 176.117 0.013 0.000 1.184 672 I CA 0.687 62.014 61.300 0.045 0.000 1.451 672 I CB -1.325 36.674 38.000 -0.001 0.000 1.089 672 I HN 0.491 nan 8.210 nan 0.000 0.441 673 A N 0.339 123.160 122.820 0.001 0.000 2.070 673 A HA -0.246 4.121 4.320 0.078 0.000 0.220 673 A C 2.056 179.662 177.584 0.037 0.000 1.159 673 A CA 1.793 53.827 52.037 -0.005 0.000 0.656 673 A CB -0.573 18.423 19.000 -0.007 0.000 0.800 673 A HN 0.413 nan 8.150 nan 0.000 0.453 674 D N 0.495 120.943 120.400 0.079 0.000 2.144 674 D HA -0.134 4.552 4.640 0.078 0.000 0.199 674 D C 1.573 177.960 176.300 0.145 0.000 0.984 674 D CA 1.720 55.792 54.000 0.120 0.000 0.834 674 D CB -0.181 40.723 40.800 0.172 0.000 0.955 674 D HN 0.623 nan 8.370 nan 0.000 0.465 675 I N -3.693 116.987 120.570 0.183 0.000 4.139 675 I HA 0.460 4.677 4.170 0.078 0.000 0.335 675 I C 2.000 178.254 176.117 0.229 0.000 1.327 675 I CA -0.026 61.414 61.300 0.233 0.000 1.112 675 I CB 0.019 38.214 38.000 0.325 0.000 1.058 675 I HN -0.092 nan 8.210 nan 0.000 0.396 676 A N 2.020 124.891 122.820 0.086 0.000 1.892 676 A HA -0.210 4.156 4.320 0.078 0.000 0.218 676 A C 1.701 179.279 177.584 -0.011 0.000 1.188 676 A CA 2.252 54.226 52.037 -0.106 0.000 0.631 676 A CB -0.595 18.280 19.000 -0.207 0.000 0.822 676 A HN 0.515 nan 8.150 nan 0.000 0.447 677 D N -0.363 120.049 120.400 0.021 0.000 2.342 677 D HA 0.013 4.700 4.640 0.078 0.000 0.221 677 D C 0.028 176.363 176.300 0.058 0.000 1.101 677 D CA -0.113 53.904 54.000 0.028 0.000 0.837 677 D CB -0.237 40.569 40.800 0.011 0.000 0.938 677 D HN 0.412 nan 8.370 nan 0.000 0.508 678 N N 0.918 119.673 118.700 0.093 0.000 2.422 678 N HA 0.048 4.835 4.740 0.078 0.000 0.264 678 N C 1.312 176.875 175.510 0.088 0.000 1.063 678 N CA -0.113 52.993 53.050 0.093 0.000 0.959 678 N CB 1.646 40.210 38.487 0.128 0.000 1.087 678 N HN -0.048 nan 8.380 nan 0.000 0.483 679 G N 3.270 112.114 108.800 0.074 0.000 2.446 679 G HA2 -0.275 3.732 3.960 0.078 0.000 0.217 679 G HA3 -0.275 3.732 3.960 0.078 0.000 0.217 679 G C 0.932 175.887 174.900 0.093 0.000 1.168 679 G CA 0.648 45.791 45.100 0.072 0.000 0.771 679 G HN 0.653 nan 8.290 nan 0.000 0.551 680 D N 0.926 121.388 120.400 0.103 0.000 2.144 680 D HA -0.026 4.661 4.640 0.078 0.000 0.199 680 D C 2.796 179.105 176.300 0.015 0.000 0.984 680 D CA 1.166 55.249 54.000 0.139 0.000 0.834 680 D CB -0.368 40.573 40.800 0.235 0.000 0.955 680 D HN 0.327 nan 8.370 nan 0.000 0.465 681 A N 1.192 123.903 122.820 -0.182 0.000 1.873 681 A HA -0.165 4.202 4.320 0.078 0.000 0.215 681 A C 2.034 179.465 177.584 -0.254 0.000 1.186 681 A CA 1.130 52.858 52.037 -0.514 0.000 0.616 681 A CB -0.434 18.302 19.000 -0.440 0.000 0.823 681 A HN 0.155 nan 8.150 nan 0.000 0.442 682 N N -1.571 117.112 118.700 -0.027 0.000 2.142 682 N HA -0.174 4.612 4.740 0.078 0.000 0.186 682 N C 1.727 177.240 175.510 0.004 0.000 1.023 682 N CA 1.699 54.772 53.050 0.038 0.000 0.852 682 N CB -0.411 38.160 38.487 0.141 0.000 0.998 682 N HN 0.664 nan 8.380 nan 0.000 0.424 683 Y N 0.816 121.087 120.300 -0.049 0.000 2.224 683 Y HA -0.297 4.300 4.550 0.077 0.000 0.289 683 Y C 2.386 178.233 175.900 -0.088 0.000 1.146 683 Y CA 1.303 59.365 58.100 -0.063 0.000 1.182 683 Y CB -0.350 38.078 38.460 -0.054 0.000 0.983 683 Y HN 0.028 nan 8.280 nan 0.000 0.524 684 Y N -0.152 120.011 120.300 -0.229 0.000 2.069 684 Y HA -0.370 4.226 4.550 0.077 0.000 0.278 684 Y C 2.111 177.801 175.900 -0.349 0.000 1.175 684 Y CA 2.079 60.007 58.100 -0.286 0.000 1.134 684 Y CB -0.656 37.612 38.460 -0.321 0.000 0.965 684 Y HN 0.129 nan 8.280 nan 0.000 0.498 685 L N -0.586 120.570 121.223 -0.111 0.000 2.083 685 L HA -0.256 4.131 4.340 0.078 0.000 0.209 685 L C 2.362 179.110 176.870 -0.203 0.000 1.083 685 L CA 1.737 56.485 54.840 -0.154 0.000 0.752 685 L CB -1.157 40.772 42.059 -0.217 0.000 0.899 685 L HN 0.354 nan 8.230 nan 0.000 0.433 686 M N -1.276 118.141 119.600 -0.305 0.000 2.132 686 M HA -0.205 4.321 4.480 0.078 0.000 0.263 686 M C 2.200 178.240 176.300 -0.432 0.000 1.065 686 M CA 1.481 56.593 55.300 -0.314 0.000 1.122 686 M CB -0.402 32.016 32.600 -0.304 0.000 1.365 686 M HN 0.244 nan 8.290 nan 0.000 0.411 687 E N 0.804 120.547 120.200 -0.762 0.000 2.038 687 E HA -0.212 4.184 4.350 0.078 0.000 0.195 687 E C 1.998 178.203 176.600 -0.658 0.000 1.000 687 E CA 1.554 57.465 56.400 -0.816 0.000 0.803 687 E CB -0.040 29.152 29.700 -0.847 0.000 0.750 687 E HN 0.465 nan 8.360 nan 0.000 0.448 688 A N -0.074 122.494 122.820 -0.419 0.000 1.972 688 A HA -0.203 4.164 4.320 0.078 0.000 0.219 688 A C 2.009 179.490 177.584 -0.172 0.000 1.169 688 A CA 1.462 53.356 52.037 -0.238 0.000 0.635 688 A CB -0.812 18.113 19.000 -0.126 0.000 0.810 688 A HN 0.593 nan 8.150 nan 0.000 0.446 689 Y N 0.350 120.493 120.300 -0.262 0.000 2.200 689 Y HA -0.134 4.462 4.550 0.077 0.000 0.290 689 Y C 2.337 178.128 175.900 -0.183 0.000 1.137 689 Y CA 2.195 60.179 58.100 -0.195 0.000 1.163 689 Y CB -0.158 38.203 38.460 -0.165 0.000 0.988 689 Y HN 0.282 nan 8.280 nan 0.000 0.518 690 K N -0.719 119.583 120.400 -0.165 0.000 2.211 690 K HA -0.184 4.182 4.320 0.078 0.000 0.203 690 K C 1.049 177.585 176.600 -0.108 0.000 1.050 690 K CA 1.667 57.850 56.287 -0.173 0.000 0.945 690 K CB -0.361 32.023 32.500 -0.194 0.000 0.732 690 K HN 0.578 nan 8.250 nan 0.000 0.451 691 H N 0.259 119.216 119.070 -0.188 0.000 2.533 691 H HA 0.149 4.751 4.556 0.078 0.000 0.271 691 H C -0.054 175.127 175.328 -0.244 0.000 1.000 691 H CA 0.116 56.050 56.048 -0.189 0.000 1.149 691 H CB 0.116 29.765 29.762 -0.189 0.000 1.375 691 H HN 0.096 nan 8.280 nan 0.000 0.582 692 L N 0.244 121.340 121.223 -0.212 0.000 3.898 692 L HA -0.271 4.115 4.340 0.078 0.000 0.407 692 L C -0.390 176.246 176.870 -0.390 0.000 1.207 692 L CA 0.597 55.224 54.840 -0.354 0.000 0.931 692 L CB -1.696 40.145 42.059 -0.363 0.000 2.014 692 L HN 0.267 nan 8.230 nan 0.000 0.858 693 K N 0.402 120.628 120.400 -0.290 0.000 2.098 693 K HA 0.549 4.916 4.320 0.078 0.000 0.258 693 K C -2.181 174.291 176.600 -0.213 0.000 0.973 693 K CA -1.836 54.296 56.287 -0.258 0.000 0.898 693 K CB 0.759 33.159 32.500 -0.167 0.000 1.057 693 K HN -0.228 nan 8.250 nan 0.000 0.447 694 P HA 0.057 nan 4.420 nan 0.000 0.268 694 P C -0.817 176.417 177.300 -0.109 0.000 1.204 694 P CA 0.368 63.373 63.100 -0.158 0.000 0.768 694 P CB 0.404 32.009 31.700 -0.158 0.000 0.842 695 I N 1.837 122.354 120.570 -0.088 0.000 2.498 695 I HA 0.638 4.855 4.170 0.078 0.000 0.290 695 I C -0.330 175.740 176.117 -0.077 0.000 1.032 695 I CA -0.922 60.342 61.300 -0.059 0.000 1.073 695 I CB 2.250 40.239 38.000 -0.017 0.000 1.251 695 I HN 0.258 nan 8.210 nan 0.000 0.426 696 A N 7.720 130.500 122.820 -0.067 0.000 2.353 696 A HA 0.823 5.190 4.320 0.078 0.000 0.299 696 A C -1.086 176.576 177.584 0.130 0.000 1.089 696 A CA -0.416 51.573 52.037 -0.081 0.000 0.736 696 A CB 0.935 19.764 19.000 -0.285 0.000 1.195 696 A HN 0.666 nan 8.150 nan 0.000 0.447 697 L N 2.306 123.653 121.223 0.207 0.000 2.325 697 L HA 0.744 5.130 4.340 0.078 0.000 0.281 697 L C 0.335 177.392 176.870 0.311 0.000 1.004 697 L CA -0.598 54.386 54.840 0.240 0.000 0.823 697 L CB 1.962 44.117 42.059 0.161 0.000 1.236 697 L HN 0.753 nan 8.230 nan 0.000 0.415 698 A N 2.402 125.329 122.820 0.177 0.000 2.288 698 A HA 0.801 5.167 4.320 0.078 0.000 0.320 698 A C 0.701 178.277 177.584 -0.015 0.000 1.217 698 A CA 0.300 52.315 52.037 -0.037 0.000 0.840 698 A CB 1.074 19.894 19.000 -0.299 0.000 1.179 698 A HN 0.994 nan 8.150 nan 0.000 0.504 699 G N 2.375 111.159 108.800 -0.026 0.000 2.634 699 G HA2 -0.361 3.646 3.960 0.078 0.000 0.318 699 G HA3 -0.361 3.646 3.960 0.078 0.000 0.318 699 G C 0.567 175.470 174.900 0.005 0.000 1.207 699 G CA 0.924 46.014 45.100 -0.018 0.000 0.987 699 G HN 0.674 nan 8.290 nan 0.000 0.547 700 D N 1.638 122.038 120.400 0.000 0.000 2.348 700 D HA 0.277 4.963 4.640 0.078 0.000 0.216 700 D C 2.529 178.837 176.300 0.014 0.000 0.970 700 D CA 1.427 55.423 54.000 -0.007 0.000 0.889 700 D CB -0.612 40.175 40.800 -0.021 0.000 0.912 700 D HN 0.785 nan 8.370 nan 0.000 0.524 701 A N 0.537 123.406 122.820 0.082 0.000 2.178 701 A HA -0.160 4.206 4.320 0.078 0.000 0.218 701 A C 2.016 179.720 177.584 0.201 0.000 1.157 701 A CA 0.697 52.862 52.037 0.213 0.000 0.689 701 A CB -0.376 18.754 19.000 0.216 0.000 0.787 701 A HN 0.135 nan 8.150 nan 0.000 0.465 702 R N -0.201 120.357 120.500 0.097 0.000 2.189 702 R HA -0.050 4.337 4.340 0.078 0.000 0.218 702 R C 1.679 177.996 176.300 0.028 0.000 1.074 702 R CA 1.052 57.194 56.100 0.071 0.000 0.991 702 R CB -0.155 30.172 30.300 0.044 0.000 0.883 702 R HN 0.513 nan 8.270 nan 0.000 0.457 703 K N 0.063 120.440 120.400 -0.037 0.000 2.152 703 K HA -0.138 4.228 4.320 0.078 0.000 0.206 703 K C 1.482 177.992 176.600 -0.150 0.000 1.048 703 K CA 1.288 57.496 56.287 -0.133 0.000 0.933 703 K CB -0.145 32.210 32.500 -0.240 0.000 0.721 703 K HN 0.179 nan 8.250 nan 0.000 0.447 704 F N 1.554 121.486 119.950 -0.030 0.000 2.641 704 F HA -0.083 4.490 4.527 0.078 0.000 0.298 704 F C 2.004 177.766 175.800 -0.063 0.000 1.146 704 F CA 0.772 58.745 58.000 -0.046 0.000 1.464 704 F CB -0.037 38.935 39.000 -0.046 0.000 1.101 704 F HN -0.054 nan 8.300 nan 0.000 0.585 705 K N 0.136 120.585 120.400 0.081 0.000 2.209 705 K HA -0.135 4.231 4.320 0.078 0.000 0.204 705 K C 2.311 178.893 176.600 -0.029 0.000 1.048 705 K CA 0.908 57.201 56.287 0.010 0.000 0.940 705 K CB -0.237 32.262 32.500 -0.001 0.000 0.729 705 K HN 0.257 nan 8.250 nan 0.000 0.451 706 A N 0.407 123.214 122.820 -0.022 0.000 1.930 706 A HA -0.173 4.193 4.320 0.078 0.000 0.217 706 A C 2.208 179.771 177.584 -0.034 0.000 1.175 706 A CA 2.094 54.109 52.037 -0.036 0.000 0.627 706 A CB -0.884 18.091 19.000 -0.043 0.000 0.815 706 A HN 0.302 nan 8.150 nan 0.000 0.443 707 T N 0.308 114.862 114.554 0.000 0.000 2.788 707 T HA -0.075 4.322 4.350 0.078 0.000 0.268 707 T C 1.393 176.051 174.700 -0.071 0.000 1.044 707 T CA 1.509 63.612 62.100 0.005 0.000 1.139 707 T CB -0.540 68.385 68.868 0.095 0.000 0.867 707 T HN 0.614 nan 8.240 nan 0.000 0.454 708 I N -2.225 118.263 120.570 -0.137 0.000 3.891 708 I HA 0.447 4.663 4.170 0.078 0.000 0.331 708 I C -0.215 175.704 176.117 -0.330 0.000 1.406 708 I CA -0.601 60.509 61.300 -0.317 0.000 1.139 708 I CB -0.306 37.388 38.000 -0.509 0.000 1.056 708 I HN -0.070 nan 8.210 nan 0.000 0.399 709 K N 2.319 122.613 120.400 -0.176 0.000 4.007 709 K HA -0.104 4.263 4.320 0.078 0.000 0.279 709 K C -0.753 175.770 176.600 -0.128 0.000 0.919 709 K CA 0.642 56.854 56.287 -0.126 0.000 0.800 709 K CB -1.179 31.262 32.500 -0.100 0.000 1.572 709 K HN 0.436 nan 8.250 nan 0.000 0.443 710 I N 0.605 121.113 120.570 -0.105 0.000 2.460 710 I HA 0.447 4.663 4.170 0.078 0.000 0.298 710 I C 1.168 177.265 176.117 -0.032 0.000 0.989 710 I CA -1.329 59.929 61.300 -0.069 0.000 1.173 710 I CB 1.238 39.200 38.000 -0.063 0.000 1.338 710 I HN 0.394 nan 8.210 nan 0.000 0.456 711 A N 3.986 126.797 122.820 -0.015 0.000 2.466 711 A HA 0.051 4.417 4.320 0.078 0.000 0.238 711 A C 1.156 178.737 177.584 -0.005 0.000 1.074 711 A CA -0.043 51.990 52.037 -0.007 0.000 0.774 711 A CB 0.030 19.030 19.000 0.001 0.000 1.015 711 A HN 0.797 nan 8.150 nan 0.000 0.498 712 D N 0.400 120.797 120.400 -0.004 0.000 2.126 712 D HA -0.236 4.450 4.640 0.078 0.000 0.190 712 D C 2.254 178.556 176.300 0.003 0.000 1.001 712 D CA 2.334 56.333 54.000 -0.002 0.000 0.841 712 D CB -0.179 40.620 40.800 -0.002 0.000 0.949 712 D HN 0.797 nan 8.370 nan 0.000 0.446 713 Q N -0.056 119.746 119.800 0.004 0.000 2.014 713 Q HA 0.023 4.410 4.340 0.078 0.000 0.207 713 Q C 1.202 177.207 176.000 0.008 0.000 0.993 713 Q CA 1.349 57.156 55.803 0.006 0.000 0.850 713 Q CB -0.341 28.401 28.738 0.006 0.000 0.916 713 Q HN 0.281 nan 8.270 nan 0.000 0.417 714 G N 0.926 109.731 108.800 0.008 0.000 2.354 714 G HA2 0.059 4.065 3.960 0.078 0.000 0.582 714 G HA3 0.059 4.065 3.960 0.078 0.000 0.582 714 G C -1.834 173.073 174.900 0.013 0.000 1.316 714 G CA -0.338 44.769 45.100 0.011 0.000 0.995 714 G HN 0.515 nan 8.290 nan 0.000 0.573 715 E N -0.441 119.768 120.200 0.015 0.000 2.352 715 E HA 0.504 4.900 4.350 0.078 0.000 0.280 715 E C -0.816 175.785 176.600 0.003 0.000 0.930 715 E CA -0.960 55.450 56.400 0.017 0.000 0.765 715 E CB 1.642 31.366 29.700 0.040 0.000 1.219 715 E HN 0.406 nan 8.360 nan 0.000 0.434 716 E N 1.382 121.574 120.200 -0.012 0.000 2.465 716 E HA 0.226 4.623 4.350 0.078 0.000 0.260 716 E C 0.817 177.383 176.600 -0.056 0.000 0.980 716 E CA 1.459 57.837 56.400 -0.037 0.000 0.927 716 E CB 1.067 30.742 29.700 -0.041 0.000 0.934 716 E HN 0.951 nan 8.360 nan 0.000 0.459 717 G N 2.609 111.362 108.800 -0.078 0.000 2.253 717 G HA2 -0.192 3.814 3.960 0.078 0.000 0.209 717 G HA3 -0.192 3.814 3.960 0.078 0.000 0.209 717 G C 0.071 174.928 174.900 -0.073 0.000 0.997 717 G CA -0.432 44.604 45.100 -0.107 0.000 0.640 717 G HN 0.402 nan 8.290 nan 0.000 0.496 718 I N 2.426 122.974 120.570 -0.038 0.000 2.354 718 I HA 0.480 4.696 4.170 0.078 0.000 0.286 718 I C 0.391 176.475 176.117 -0.056 0.000 1.007 718 I CA -1.211 60.073 61.300 -0.026 0.000 1.167 718 I CB 1.200 39.211 38.000 0.018 0.000 1.320 718 I HN -0.098 nan 8.210 nan 0.000 0.458 719 V N 7.563 127.408 119.914 -0.114 0.000 2.432 719 V HA 0.299 4.466 4.120 0.078 0.000 0.271 719 V C 0.412 176.472 176.094 -0.057 0.000 1.046 719 V CA -0.431 61.761 62.300 -0.180 0.000 0.945 719 V CB 0.901 32.462 31.823 -0.436 0.000 0.992 719 V HN 0.837 nan 8.190 nan 0.000 0.471 720 E N 4.688 124.925 120.200 0.063 0.000 2.343 720 E HA 0.920 5.317 4.350 0.078 0.000 0.270 720 E C -0.885 175.866 176.600 0.251 0.000 0.895 720 E CA -1.055 55.461 56.400 0.192 0.000 0.767 720 E CB 2.830 32.594 29.700 0.106 0.000 1.248 720 E HN 0.769 nan 8.360 nan 0.000 0.440 721 A N 1.730 124.691 122.820 0.235 0.000 2.549 721 A HA 0.239 4.605 4.320 0.078 0.000 0.291 721 A C -0.490 177.101 177.584 0.012 0.000 1.034 721 A CA -0.534 51.581 52.037 0.131 0.000 0.655 721 A CB 0.835 19.962 19.000 0.211 0.000 1.299 721 A HN 0.644 nan 8.150 nan 0.000 0.427 722 D N 0.646 121.036 120.400 -0.016 0.000 2.097 722 D HA -0.006 4.681 4.640 0.078 0.000 0.195 722 D C 1.194 177.434 176.300 -0.100 0.000 0.989 722 D CA 2.428 56.403 54.000 -0.043 0.000 0.827 722 D CB -0.061 40.719 40.800 -0.033 0.000 0.966 722 D HN 0.892 nan 8.370 nan 0.000 0.456 723 S N -1.230 114.374 115.700 -0.159 0.000 2.595 723 S HA 0.660 5.176 4.470 0.078 0.000 0.281 723 S C -0.715 173.611 174.600 -0.457 0.000 1.117 723 S CA -0.899 57.160 58.200 -0.235 0.000 0.873 723 S CB 2.437 65.549 63.200 -0.147 0.000 1.108 723 S HN 0.125 nan 8.310 nan 0.000 0.477 724 A N 1.574 124.061 122.820 -0.554 0.000 2.545 724 A HA 0.529 4.896 4.320 0.078 0.000 0.297 724 A C 0.281 177.657 177.584 -0.347 0.000 1.340 724 A CA 0.536 52.075 52.037 -0.830 0.000 1.016 724 A CB -1.930 16.759 19.000 -0.518 0.000 1.122 724 A HN 1.306 nan 8.150 nan 0.000 0.537 725 D N 0.226 120.487 120.400 -0.232 0.000 10.375 725 D HA 0.067 4.754 4.640 0.078 0.000 0.304 725 D C 0.697 177.014 176.300 0.029 0.000 2.977 725 D CA 1.511 55.548 54.000 0.061 0.000 2.717 725 D CB -0.742 40.128 40.800 0.117 0.000 1.143 725 D HN 0.796 nan 8.370 nan 0.000 0.875 726 G N 0.998 109.842 108.800 0.074 0.000 2.683 726 G HA2 0.271 4.277 3.960 0.078 0.000 0.149 726 G HA3 0.271 4.277 3.960 0.078 0.000 0.149 726 G C 0.773 175.718 174.900 0.075 0.000 1.467 726 G CA 0.503 45.635 45.100 0.054 0.000 0.806 726 G HN 1.048 nan 8.290 nan 0.000 0.709 727 S N -0.318 115.437 115.700 0.093 0.000 2.540 727 S HA 0.269 4.786 4.470 0.078 0.000 0.218 727 S C 1.813 176.481 174.600 0.113 0.000 0.977 727 S CA 0.266 58.513 58.200 0.079 0.000 0.918 727 S CB -0.054 63.177 63.200 0.052 0.000 0.806 727 S HN 0.272 nan 8.310 nan 0.000 0.496 728 F N 2.649 122.597 119.950 -0.004 0.000 2.065 728 F HA -0.124 4.450 4.527 0.077 0.000 0.298 728 F C 2.227 178.022 175.800 -0.008 0.000 1.112 728 F CA 1.932 59.928 58.000 -0.005 0.000 1.212 728 F CB -0.149 38.849 39.000 -0.004 0.000 0.975 728 F HN 0.187 nan 8.300 nan 0.000 0.476 729 M N -0.068 119.636 119.600 0.174 0.000 2.349 729 M HA -0.111 4.415 4.480 0.078 0.000 0.266 729 M C 1.517 177.809 176.300 -0.013 0.000 1.076 729 M CA 1.393 56.723 55.300 0.051 0.000 1.126 729 M CB -1.347 31.322 32.600 0.116 0.000 1.392 729 M HN 0.173 nan 8.290 nan 0.000 0.440 730 D N 0.103 120.506 120.400 0.005 0.000 2.178 730 D HA -0.148 4.538 4.640 0.078 0.000 0.202 730 D C 1.960 178.235 176.300 -0.042 0.000 0.974 730 D CA 0.938 54.931 54.000 -0.012 0.000 0.841 730 D CB 0.005 40.807 40.800 0.004 0.000 0.953 730 D HN 0.448 nan 8.370 nan 0.000 0.478 731 E N 0.139 120.300 120.200 -0.066 0.000 2.072 731 E HA -0.108 4.288 4.350 0.078 0.000 0.191 731 E C 1.936 178.456 176.600 -0.134 0.000 0.985 731 E CA 0.368 56.711 56.400 -0.095 0.000 0.801 731 E CB 0.054 29.685 29.700 -0.116 0.000 0.750 731 E HN 0.232 nan 8.360 nan 0.000 0.452 732 L N 0.363 121.472 121.223 -0.189 0.000 2.027 732 L HA -0.154 4.233 4.340 0.078 0.000 0.206 732 L C 2.074 178.871 176.870 -0.121 0.000 1.074 732 L CA 0.921 55.643 54.840 -0.198 0.000 0.745 732 L CB -0.144 41.752 42.059 -0.273 0.000 0.898 732 L HN 0.266 nan 8.230 nan 0.000 0.433 733 L N -0.136 121.035 121.223 -0.087 0.000 2.201 733 L HA -0.151 4.236 4.340 0.078 0.000 0.212 733 L C 2.523 179.365 176.870 -0.047 0.000 1.105 733 L CA 1.612 56.419 54.840 -0.054 0.000 0.775 733 L CB -1.220 40.819 42.059 -0.035 0.000 0.913 733 L HN 0.232 nan 8.230 nan 0.000 0.440 734 T N -0.777 113.745 114.554 -0.052 0.000 2.812 734 T HA -0.097 4.299 4.350 0.078 0.000 0.264 734 T C 2.007 176.676 174.700 -0.052 0.000 1.042 734 T CA 0.979 63.055 62.100 -0.040 0.000 1.140 734 T CB -0.113 68.733 68.868 -0.037 0.000 0.870 734 T HN 0.193 nan 8.240 nan 0.000 0.445 735 L N 0.477 121.651 121.223 -0.082 0.000 2.017 735 L HA -0.070 4.317 4.340 0.078 0.000 0.208 735 L C 2.693 179.499 176.870 -0.107 0.000 1.073 735 L CA 1.318 56.092 54.840 -0.111 0.000 0.745 735 L CB -0.607 41.367 42.059 -0.143 0.000 0.894 735 L HN 0.279 nan 8.230 nan 0.000 0.432 736 M N -0.463 119.085 119.600 -0.086 0.000 2.195 736 M HA -0.240 4.287 4.480 0.078 0.000 0.260 736 M C 2.430 178.727 176.300 -0.005 0.000 1.066 736 M CA 1.832 57.099 55.300 -0.055 0.000 1.089 736 M CB -0.603 31.975 32.600 -0.037 0.000 1.377 736 M HN 0.358 nan 8.290 nan 0.000 0.411 737 A N 0.171 122.991 122.820 -0.000 0.000 2.019 737 A HA 0.037 4.403 4.320 0.078 0.000 0.219 737 A C 2.184 179.809 177.584 0.068 0.000 1.164 737 A CA 1.712 53.770 52.037 0.035 0.000 0.644 737 A CB -0.631 18.383 19.000 0.023 0.000 0.805 737 A HN 0.518 nan 8.150 nan 0.000 0.449 738 A N -2.695 120.144 122.820 0.031 0.000 2.251 738 A HA 0.345 4.712 4.320 0.078 0.000 0.209 738 A C 0.952 178.572 177.584 0.060 0.000 1.187 738 A CA 1.275 53.346 52.037 0.057 0.000 0.823 738 A CB -0.472 18.512 19.000 -0.025 0.000 0.846 738 A HN 0.981 nan 8.150 nan 0.000 0.486 739 H N -1.389 117.631 119.070 -0.084 0.000 4.884 739 H HA -0.187 4.415 4.556 0.077 0.000 0.061 739 H C 0.050 175.169 175.328 -0.348 0.000 0.590 739 H CA 2.360 58.341 56.048 -0.112 0.000 0.961 739 H CB -0.591 29.218 29.762 0.079 0.000 0.443 739 H HN 0.443 nan 8.280 nan 0.000 0.794 740 R N -0.133 119.797 120.500 -0.950 0.000 2.808 740 R HA 0.583 4.969 4.340 0.078 0.000 0.272 740 R C -0.705 174.765 176.300 -1.383 0.000 0.995 740 R CA -0.331 54.981 56.100 -1.313 0.000 0.917 740 R CB 1.919 31.127 30.300 -1.821 0.000 1.217 740 R HN 0.080 nan 8.270 nan 0.000 0.471 741 V N 2.891 122.242 119.914 -0.939 0.000 2.276 741 V HA 0.073 4.239 4.120 0.078 0.000 0.249 741 V C 0.763 176.490 176.094 -0.612 0.000 1.160 741 V CA -0.279 61.624 62.300 -0.662 0.000 1.042 741 V CB -0.359 31.213 31.823 -0.419 0.000 1.224 741 V HN 0.723 nan 8.190 nan 0.000 0.496 742 W N 1.777 122.805 121.300 -0.453 0.000 2.421 742 W HA -0.166 4.541 4.660 0.077 0.000 0.270 742 W C 2.431 178.717 176.519 -0.389 0.000 1.233 742 W CA 0.753 57.721 57.345 -0.629 0.000 1.226 742 W CB -0.359 28.361 29.460 -1.234 0.000 1.121 742 W HN 0.663 nan 8.180 nan 0.000 0.579 743 S N 0.515 116.158 115.700 -0.095 0.000 2.522 743 S HA -0.075 4.442 4.470 0.078 0.000 0.227 743 S C 1.645 176.206 174.600 -0.065 0.000 0.986 743 S CA 0.558 58.726 58.200 -0.054 0.000 0.929 743 S CB -0.324 62.852 63.200 -0.041 0.000 0.769 743 S HN 0.410 nan 8.310 nan 0.000 0.529 744 R N 0.680 121.105 120.500 -0.126 0.000 2.313 744 R HA 0.285 4.672 4.340 0.078 0.000 0.199 744 R C 1.626 177.860 176.300 -0.110 0.000 0.958 744 R CA 0.144 56.154 56.100 -0.151 0.000 1.047 744 R CB -0.358 29.752 30.300 -0.317 0.000 0.955 744 R HN 0.444 nan 8.270 nan 0.000 0.481 745 I N 2.266 122.806 120.570 -0.051 0.000 2.091 745 I HA -0.236 3.981 4.170 0.078 0.000 0.239 745 I C -0.737 175.400 176.117 0.033 0.000 1.061 745 I CA 1.434 62.744 61.300 0.017 0.000 1.317 745 I CB -0.898 37.149 38.000 0.079 0.000 1.031 745 I HN 0.171 nan 8.210 nan 0.000 0.401 746 P HA -0.211 nan 4.420 nan 0.000 0.217 746 P C 1.095 178.427 177.300 0.052 0.000 1.148 746 P CA 1.729 64.857 63.100 0.047 0.000 0.834 746 P CB -0.169 31.555 31.700 0.041 0.000 0.783 747 K N -0.614 119.817 120.400 0.052 0.000 2.400 747 K HA 0.077 4.443 4.320 0.078 0.000 0.194 747 K C 2.093 178.761 176.600 0.113 0.000 1.033 747 K CA 0.338 56.680 56.287 0.091 0.000 1.021 747 K CB -0.334 32.255 32.500 0.148 0.000 0.808 747 K HN 0.281 nan 8.250 nan 0.000 0.505 748 I N -1.193 119.419 120.570 0.069 0.000 2.546 748 I HA -0.161 4.055 4.170 0.078 0.000 0.255 748 I C 1.089 177.257 176.117 0.085 0.000 1.163 748 I CA 1.192 62.538 61.300 0.077 0.000 1.457 748 I CB -0.190 37.820 38.000 0.017 0.000 1.092 748 I HN -0.114 nan 8.210 nan 0.000 0.434 749 D N 2.278 122.726 120.400 0.079 0.000 2.149 749 D HA -0.197 4.489 4.640 0.078 0.000 0.194 749 D C 1.755 178.096 176.300 0.069 0.000 1.001 749 D CA 1.591 55.637 54.000 0.075 0.000 0.849 749 D CB -0.210 40.632 40.800 0.070 0.000 0.939 749 D HN 0.389 nan 8.370 nan 0.000 0.449 750 K N -0.210 120.231 120.400 0.069 0.000 2.458 750 K HA 0.160 4.526 4.320 0.078 0.000 0.194 750 K C 0.244 176.876 176.600 0.052 0.000 1.024 750 K CA -0.208 56.112 56.287 0.056 0.000 1.108 750 K CB 0.222 32.752 32.500 0.050 0.000 0.846 750 K HN 0.182 nan 8.250 nan 0.000 0.518 751 I N 0.472 121.082 120.570 0.067 0.000 2.339 751 I HA 0.332 4.549 4.170 0.078 0.000 0.290 751 I C -2.629 173.519 176.117 0.051 0.000 0.994 751 I CA -2.822 58.510 61.300 0.055 0.000 1.191 751 I CB 1.157 39.207 38.000 0.082 0.000 1.343 751 I HN -0.096 nan 8.210 nan 0.000 0.458 752 P HA 0.456 nan 4.420 nan 0.000 0.256 752 P C -0.938 176.416 177.300 0.090 0.000 1.689 752 P CA -0.045 63.090 63.100 0.059 0.000 1.124 752 P CB 0.280 32.010 31.700 0.049 0.000 1.766 753 A N 0.000 122.874 122.820 0.089 0.000 2.254 753 A HA 0.000 4.367 4.320 0.078 0.000 0.244 753 A CA 0.000 52.123 52.037 0.143 0.000 0.836 753 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486