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 1p80_1_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRQIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.027 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 28 S N 0.991 116.670 115.700 -0.036 0.000 2.760 28 S HA 0.170 4.643 4.470 0.004 0.000 0.157 28 S C 0.114 174.677 174.600 -0.062 0.000 0.650 28 S CA -0.326 57.845 58.200 -0.049 0.000 0.855 28 S CB -0.567 62.607 63.200 -0.043 0.000 1.516 28 S HN 0.382 nan 8.310 nan 0.000 0.483 29 L N 1.795 122.973 121.223 -0.075 0.000 2.416 29 L HA 0.454 4.797 4.340 0.004 0.000 0.216 29 L C 1.508 178.299 176.870 -0.132 0.000 1.098 29 L CA 0.472 55.263 54.840 -0.081 0.000 0.840 29 L CB -0.290 41.731 42.059 -0.062 0.000 0.981 29 L HN 0.657 nan 8.230 nan 0.000 0.462 30 A N 1.496 124.185 122.820 -0.218 0.000 2.445 30 A HA 0.353 4.675 4.320 0.004 0.000 0.242 30 A C -2.050 175.381 177.584 -0.254 0.000 1.075 30 A CA -0.950 50.832 52.037 -0.426 0.000 0.777 30 A CB -0.581 17.896 19.000 -0.871 0.000 1.013 30 A HN -0.027 nan 8.150 nan 0.000 0.493 31 P HA 0.100 nan 4.420 nan 0.000 0.268 31 P C 0.101 177.384 177.300 -0.029 0.000 1.205 31 P CA 0.050 63.115 63.100 -0.058 0.000 0.771 31 P CB 0.811 32.520 31.700 0.014 0.000 0.858 32 E N 1.783 121.976 120.200 -0.012 0.000 2.204 32 E HA -0.190 4.162 4.350 0.004 0.000 0.195 32 E C 1.194 177.812 176.600 0.030 0.000 0.990 32 E CA 1.358 57.760 56.400 0.004 0.000 0.821 32 E CB -0.413 29.286 29.700 -0.001 0.000 0.750 32 E HN 0.513 nan 8.360 nan 0.000 0.477 33 D N -1.353 119.071 120.400 0.039 0.000 2.363 33 D HA -0.002 4.640 4.640 0.004 0.000 0.220 33 D C 1.237 177.584 176.300 0.078 0.000 0.994 33 D CA 0.880 54.909 54.000 0.048 0.000 0.890 33 D CB -0.409 40.413 40.800 0.038 0.000 0.906 33 D HN 0.188 nan 8.370 nan 0.000 0.530 34 G N 0.357 109.244 108.800 0.144 0.000 2.160 34 G HA2 -0.333 3.630 3.960 0.004 0.000 0.251 34 G HA3 -0.333 3.630 3.960 0.004 0.000 0.251 34 G C 0.893 175.884 174.900 0.152 0.000 1.008 34 G CA 0.832 46.066 45.100 0.224 0.000 0.724 34 G HN 0.713 nan 8.290 nan 0.000 0.514 35 S N 0.251 116.051 115.700 0.166 0.000 2.660 35 S HA 0.034 4.507 4.470 0.004 0.000 0.223 35 S C 1.808 176.468 174.600 0.101 0.000 0.963 35 S CA 0.964 59.217 58.200 0.088 0.000 0.932 35 S CB -0.437 62.803 63.200 0.066 0.000 0.775 35 S HN 0.920 nan 8.310 nan 0.000 0.531 36 H N 0.327 119.404 119.070 0.012 0.000 2.525 36 H HA 0.354 4.913 4.556 0.004 0.000 0.275 36 H C 0.600 175.940 175.328 0.020 0.000 0.984 36 H CA -0.001 56.055 56.048 0.013 0.000 1.264 36 H CB -0.226 29.543 29.762 0.011 0.000 1.432 36 H HN 0.241 nan 8.280 nan 0.000 0.549 37 R N 2.389 122.540 120.500 -0.582 0.000 2.393 37 R HA 0.381 4.723 4.340 0.004 0.000 0.310 37 R C -2.526 173.675 176.300 -0.164 0.000 0.968 37 R CA -2.146 53.723 56.100 -0.386 0.000 0.867 37 R CB 1.026 31.001 30.300 -0.542 0.000 1.124 37 R HN 0.163 nan 8.270 nan 0.000 0.450 38 P HA 0.194 nan 4.420 nan 0.000 0.275 38 P C -1.078 176.212 177.300 -0.018 0.000 1.228 38 P CA -0.481 62.606 63.100 -0.022 0.000 0.786 38 P CB 1.060 32.773 31.700 0.022 0.000 0.927 39 A N 2.324 125.142 122.820 -0.004 0.000 2.425 39 A HA 0.444 4.766 4.320 0.004 0.000 0.249 39 A C 0.812 178.405 177.584 0.016 0.000 1.084 39 A CA -0.056 51.982 52.037 0.001 0.000 0.781 39 A CB -0.287 18.716 19.000 0.005 0.000 1.019 39 A HN 0.558 nan 8.150 nan 0.000 0.490 40 A N 2.651 125.480 122.820 0.016 0.000 3.118 40 A HA 0.504 4.826 4.320 0.004 0.000 0.256 40 A C 0.267 177.869 177.584 0.029 0.000 1.667 40 A CA 0.122 52.174 52.037 0.025 0.000 1.338 40 A CB -0.925 18.087 19.000 0.020 0.000 1.127 40 A HN 0.883 nan 8.150 nan 0.000 0.634 41 E N -0.366 119.853 120.200 0.033 0.000 2.407 41 E HA 0.511 4.863 4.350 0.004 0.000 0.279 41 E C -3.259 173.364 176.600 0.038 0.000 1.012 41 E CA -2.459 53.962 56.400 0.034 0.000 0.800 41 E CB 1.140 30.855 29.700 0.025 0.000 1.276 41 E HN 0.077 nan 8.360 nan 0.000 0.452 42 P HA 0.044 nan 4.420 nan 0.000 0.267 42 P C -0.573 176.739 177.300 0.019 0.000 1.205 42 P CA 0.229 63.347 63.100 0.031 0.000 0.765 42 P CB 0.588 32.296 31.700 0.014 0.000 0.828 43 T N 0.408 114.970 114.554 0.013 0.000 2.916 43 T HA 0.587 4.940 4.350 0.004 0.000 0.305 43 T C -3.024 171.651 174.700 -0.042 0.000 1.119 43 T CA -2.553 59.547 62.100 0.000 0.000 1.008 43 T CB 1.617 70.490 68.868 0.009 0.000 1.129 43 T HN 0.111 nan 8.240 nan 0.000 0.480 44 P HA 0.335 nan 4.420 nan 0.000 0.272 44 P C -2.739 174.425 177.300 -0.228 0.000 1.230 44 P CA -1.553 61.392 63.100 -0.259 0.000 0.788 44 P CB -0.987 30.616 31.700 -0.160 0.000 0.949 45 P HA 0.009 nan 4.420 nan 0.000 0.260 45 P C 1.099 178.355 177.300 -0.074 0.000 1.172 45 P CA 1.552 64.557 63.100 -0.159 0.000 0.760 45 P CB -0.419 31.186 31.700 -0.158 0.000 0.773 46 G N 2.999 111.785 108.800 -0.024 0.000 2.179 46 G HA2 -0.329 3.634 3.960 0.004 0.000 0.260 46 G HA3 -0.329 3.634 3.960 0.004 0.000 0.260 46 G C 1.099 175.999 174.900 0.000 0.000 0.977 46 G CA 0.382 45.480 45.100 -0.002 0.000 0.641 46 G HN 0.676 nan 8.290 nan 0.000 0.533 47 A N -1.205 121.610 122.820 -0.008 0.000 1.970 47 A HA 0.437 4.760 4.320 0.004 0.000 0.216 47 A C 1.362 178.951 177.584 0.008 0.000 1.170 47 A CA 1.938 53.975 52.037 0.000 0.000 0.645 47 A CB 0.022 19.020 19.000 -0.004 0.000 0.816 47 A HN 0.503 nan 8.150 nan 0.000 0.447 48 Q N -1.103 118.705 119.800 0.013 0.000 2.495 48 Q HA 0.438 4.780 4.340 0.004 0.000 0.287 48 Q C -2.980 173.036 176.000 0.027 0.000 1.078 48 Q CA -2.084 53.730 55.803 0.019 0.000 0.793 48 Q CB 0.813 29.565 28.738 0.023 0.000 1.459 48 Q HN 0.058 nan 8.270 nan 0.000 0.422 49 P HA 0.059 nan 4.420 nan 0.000 0.271 49 P C -0.240 177.091 177.300 0.052 0.000 1.216 49 P CA 0.049 63.164 63.100 0.025 0.000 0.771 49 P CB 0.248 31.960 31.700 0.019 0.000 0.864 50 T N -0.262 114.323 114.554 0.052 0.000 2.813 50 T HA 0.612 4.964 4.350 0.004 0.000 0.297 50 T C 0.034 174.821 174.700 0.145 0.000 1.036 50 T CA -0.469 61.713 62.100 0.136 0.000 1.044 50 T CB 0.674 69.568 68.868 0.043 0.000 0.993 50 T HN 0.584 nan 8.240 nan 0.000 0.535 51 A N 1.220 124.224 122.820 0.306 0.000 2.610 51 A HA 0.758 5.081 4.320 0.004 0.000 0.291 51 A C -3.071 174.772 177.584 0.433 0.000 1.086 51 A CA -1.958 50.236 52.037 0.261 0.000 0.677 51 A CB 0.460 19.562 19.000 0.171 0.000 1.278 51 A HN 0.659 nan 8.150 nan 0.000 0.414 52 P HA 0.094 nan 4.420 nan 0.000 0.263 52 P C 1.247 178.695 177.300 0.247 0.000 1.175 52 P CA 1.060 64.364 63.100 0.340 0.000 0.761 52 P CB 0.478 32.303 31.700 0.209 0.000 0.794 53 G N 2.497 111.408 108.800 0.185 0.000 2.476 53 G HA2 -0.307 3.655 3.960 0.004 0.000 0.218 53 G HA3 -0.307 3.655 3.960 0.004 0.000 0.218 53 G C 1.561 176.479 174.900 0.029 0.000 1.164 53 G CA 1.152 46.273 45.100 0.035 0.000 0.768 53 G HN 0.594 nan 8.290 nan 0.000 0.560 54 S N 0.078 115.799 115.700 0.036 0.000 2.474 54 S HA 0.123 4.596 4.470 0.004 0.000 0.235 54 S C 2.216 176.835 174.600 0.032 0.000 0.997 54 S CA 0.863 59.071 58.200 0.013 0.000 0.949 54 S CB -0.178 63.025 63.200 0.004 0.000 0.766 54 S HN 0.322 nan 8.310 nan 0.000 0.517 55 L N -0.077 121.182 121.223 0.059 0.000 2.249 55 L HA 0.237 4.580 4.340 0.004 0.000 0.207 55 L C 2.683 179.586 176.870 0.056 0.000 1.090 55 L CA 0.902 55.777 54.840 0.057 0.000 0.802 55 L CB -0.338 41.764 42.059 0.072 0.000 0.947 55 L HN 0.266 nan 8.230 nan 0.000 0.453 56 K N 1.414 121.858 120.400 0.072 0.000 2.116 56 K HA 0.038 4.360 4.320 0.004 0.000 0.203 56 K C 0.672 177.302 176.600 0.049 0.000 1.052 56 K CA 1.264 57.593 56.287 0.071 0.000 0.952 56 K CB 0.141 32.701 32.500 0.100 0.000 0.729 56 K HN 0.136 nan 8.250 nan 0.000 0.446 57 A N 0.895 123.736 122.820 0.034 0.000 3.216 57 A HA 0.358 4.680 4.320 0.004 0.000 0.321 57 A C -2.228 175.360 177.584 0.006 0.000 1.042 57 A CA -1.058 50.995 52.037 0.027 0.000 0.838 57 A CB 0.710 19.729 19.000 0.031 0.000 1.136 57 A HN 0.153 nan 8.150 nan 0.000 0.483 58 P HA -0.106 nan 4.420 nan 0.000 0.222 58 P C 0.108 177.400 177.300 -0.012 0.000 1.147 58 P CA 1.183 64.282 63.100 -0.002 0.000 0.790 58 P CB 0.338 32.041 31.700 0.006 0.000 0.780 59 D N -1.030 119.367 120.400 -0.005 0.000 2.349 59 D HA 0.031 4.673 4.640 0.004 0.000 0.214 59 D C 0.203 176.490 176.300 -0.021 0.000 1.063 59 D CA 0.455 54.449 54.000 -0.011 0.000 0.847 59 D CB -0.166 40.634 40.800 -0.000 0.000 0.933 59 D HN 0.104 nan 8.370 nan 0.000 0.513 60 T N 1.759 116.297 114.554 -0.026 0.000 2.727 60 T HA 0.367 4.720 4.350 0.004 0.000 0.295 60 T C 0.447 175.103 174.700 -0.074 0.000 0.915 60 T CA -0.108 61.963 62.100 -0.048 0.000 1.066 60 T CB 1.039 69.875 68.868 -0.053 0.000 0.891 60 T HN -0.082 nan 8.240 nan 0.000 0.516 61 R N 2.696 123.146 120.500 -0.083 0.000 2.837 61 R HA 0.680 5.023 4.340 0.004 0.000 0.271 61 R C -0.621 175.619 176.300 -0.101 0.000 0.993 61 R CA -0.981 55.064 56.100 -0.092 0.000 0.931 61 R CB 1.522 31.777 30.300 -0.076 0.000 1.206 61 R HN 0.780 nan 8.270 nan 0.000 0.474 62 N N -1.687 116.957 118.700 -0.094 0.000 2.927 62 N HA 0.017 4.759 4.740 0.004 0.000 0.248 62 N C -0.064 175.402 175.510 -0.074 0.000 1.443 62 N CA -0.934 52.073 53.050 -0.072 0.000 0.870 62 N CB 0.829 39.302 38.487 -0.023 0.000 1.444 62 N HN 0.630 nan 8.380 nan 0.000 0.519 63 E N 0.036 120.206 120.200 -0.049 0.000 2.085 63 E HA -0.288 4.064 4.350 0.004 0.000 0.194 63 E C 1.078 177.612 176.600 -0.110 0.000 0.994 63 E CA 1.479 57.846 56.400 -0.056 0.000 0.801 63 E CB 0.065 29.757 29.700 -0.013 0.000 0.743 63 E HN 0.505 nan 8.360 nan 0.000 0.453 64 K N 0.782 121.083 120.400 -0.165 0.000 2.025 64 K HA -0.083 4.239 4.320 0.004 0.000 0.207 64 K C 2.167 178.614 176.600 -0.255 0.000 1.049 64 K CA 1.291 57.393 56.287 -0.308 0.000 0.933 64 K CB -0.465 31.702 32.500 -0.556 0.000 0.714 64 K HN 0.208 nan 8.250 nan 0.000 0.438 65 L N 0.923 122.006 121.223 -0.234 0.000 2.042 65 L HA -0.234 4.109 4.340 0.004 0.000 0.210 65 L C 1.899 178.661 176.870 -0.181 0.000 1.076 65 L CA 1.369 56.047 54.840 -0.269 0.000 0.749 65 L CB -0.616 41.275 42.059 -0.280 0.000 0.893 65 L HN 0.280 nan 8.230 nan 0.000 0.432 66 N N -0.347 118.271 118.700 -0.136 0.000 2.188 66 N HA -0.152 4.590 4.740 0.004 0.000 0.184 66 N C 2.040 177.495 175.510 -0.092 0.000 1.018 66 N CA 1.641 54.632 53.050 -0.098 0.000 0.858 66 N CB -0.426 38.016 38.487 -0.075 0.000 0.989 66 N HN 0.372 nan 8.380 nan 0.000 0.426 67 S N 0.251 115.887 115.700 -0.106 0.000 2.474 67 S HA 0.036 4.509 4.470 0.004 0.000 0.235 67 S C 1.772 176.315 174.600 -0.095 0.000 0.997 67 S CA 0.382 58.526 58.200 -0.093 0.000 0.949 67 S CB -0.417 62.723 63.200 -0.100 0.000 0.766 67 S HN 0.242 nan 8.310 nan 0.000 0.517 68 L N 0.646 121.799 121.223 -0.117 0.000 2.554 68 L HA 0.213 4.556 4.340 0.004 0.000 0.226 68 L C 2.595 179.421 176.870 -0.074 0.000 1.137 68 L CA 0.521 55.298 54.840 -0.104 0.000 0.863 68 L CB -0.333 41.647 42.059 -0.133 0.000 0.985 68 L HN 0.275 nan 8.230 nan 0.000 0.451 69 E N 1.062 121.221 120.200 -0.068 0.000 2.209 69 E HA -0.257 4.096 4.350 0.004 0.000 0.196 69 E C 1.681 178.261 176.600 -0.034 0.000 0.993 69 E CA 1.465 57.838 56.400 -0.046 0.000 0.819 69 E CB -0.045 29.629 29.700 -0.042 0.000 0.745 69 E HN 0.558 nan 8.360 nan 0.000 0.477 70 D N -0.512 119.867 120.400 -0.035 0.000 2.263 70 D HA -0.144 4.499 4.640 0.004 0.000 0.208 70 D C 1.611 177.897 176.300 -0.023 0.000 0.971 70 D CA 1.523 55.506 54.000 -0.027 0.000 0.867 70 D CB -0.293 40.490 40.800 -0.028 0.000 0.929 70 D HN 0.309 nan 8.370 nan 0.000 0.492 71 V N -3.607 116.292 119.914 -0.025 0.000 3.605 71 V HA 0.324 4.447 4.120 0.004 0.000 0.284 71 V C 0.871 176.958 176.094 -0.012 0.000 1.386 71 V CA -0.671 61.619 62.300 -0.017 0.000 1.053 71 V CB -0.507 31.306 31.823 -0.016 0.000 0.857 71 V HN -0.164 nan 8.190 nan 0.000 0.436 72 R N 2.256 122.747 120.500 -0.014 0.000 2.442 72 R HA 0.371 4.713 4.340 0.004 0.000 0.291 72 R C -0.096 176.203 176.300 -0.002 0.000 1.069 72 R CA 0.114 56.212 56.100 -0.003 0.000 1.022 72 R CB 0.682 30.979 30.300 -0.004 0.000 0.976 72 R HN 0.381 nan 8.270 nan 0.000 0.443 73 K N 1.670 122.072 120.400 0.004 0.000 2.323 73 K HA 0.321 4.643 4.320 0.004 0.000 0.259 73 K C -0.056 176.554 176.600 0.017 0.000 0.947 73 K CA -0.450 55.829 56.287 -0.014 0.000 0.819 73 K CB 1.713 34.192 32.500 -0.034 0.000 1.109 73 K HN 0.725 nan 8.250 nan 0.000 0.429 74 G N 0.517 109.337 108.800 0.034 0.000 2.509 74 G HA2 0.245 4.207 3.960 0.004 0.000 0.269 74 G HA3 0.245 4.207 3.960 0.004 0.000 0.269 74 G C 0.354 175.343 174.900 0.147 0.000 1.416 74 G CA 0.168 45.340 45.100 0.121 0.000 1.052 74 G HN 0.709 nan 8.290 nan 0.000 0.542 75 S N -2.632 113.230 115.700 0.270 0.000 2.302 75 S HA 0.107 4.580 4.470 0.004 0.000 0.258 75 S C 0.179 174.952 174.600 0.288 0.000 0.957 75 S CA -0.148 58.221 58.200 0.281 0.000 1.330 75 S CB -0.006 63.277 63.200 0.138 0.000 0.982 75 S HN 0.523 nan 8.310 nan 0.000 0.459 76 E N 3.226 123.520 120.200 0.157 0.000 2.415 76 E HA 0.293 4.645 4.350 0.004 0.000 0.263 76 E C -0.248 176.273 176.600 -0.131 0.000 0.995 76 E CA 0.159 56.578 56.400 0.032 0.000 0.915 76 E CB 0.012 29.723 29.700 0.018 0.000 0.951 76 E HN 0.365 nan 8.360 nan 0.000 0.449 77 N N 0.836 119.466 118.700 -0.117 0.000 2.850 77 N HA -0.204 4.538 4.740 0.004 0.000 0.249 77 N C -1.229 174.120 175.510 -0.267 0.000 1.060 77 N CA 1.083 54.014 53.050 -0.199 0.000 0.825 77 N CB -1.337 36.991 38.487 -0.266 0.000 1.132 77 N HN 0.388 nan 8.380 nan 0.000 0.564 78 Y N 0.506 120.812 120.300 0.009 0.000 2.457 78 Y HA 0.648 5.201 4.550 0.004 0.000 0.333 78 Y C 0.867 176.770 175.900 0.005 0.000 1.119 78 Y CA -0.588 57.516 58.100 0.007 0.000 1.143 78 Y CB 1.113 39.577 38.460 0.008 0.000 1.230 78 Y HN 0.118 nan 8.280 nan 0.000 0.469 79 A N 2.401 125.335 122.820 0.189 0.000 2.371 79 A HA 0.415 4.738 4.320 0.004 0.000 0.257 79 A C -0.773 176.860 177.584 0.081 0.000 1.089 79 A CA -0.505 51.592 52.037 0.100 0.000 0.794 79 A CB 0.104 19.150 19.000 0.077 0.000 1.029 79 A HN 0.715 nan 8.150 nan 0.000 0.488 80 L N 2.918 124.170 121.223 0.047 0.000 2.360 80 L HA 0.509 4.851 4.340 0.004 0.000 0.276 80 L C 0.638 177.517 176.870 0.014 0.000 1.121 80 L CA 1.027 55.882 54.840 0.024 0.000 0.845 80 L CB 0.372 42.437 42.059 0.010 0.000 1.143 80 L HN 0.902 nan 8.230 nan 0.000 0.452 81 T N 0.391 114.948 114.554 0.005 0.000 2.864 81 T HA 0.681 5.033 4.350 0.004 0.000 0.289 81 T C 0.224 174.924 174.700 0.000 0.000 1.082 81 T CA -0.180 61.925 62.100 0.008 0.000 1.009 81 T CB 1.064 69.940 68.868 0.012 0.000 1.234 81 T HN 0.764 nan 8.240 nan 0.000 0.526 82 T N 0.103 114.670 114.554 0.022 0.000 2.726 82 T HA 0.248 4.601 4.350 0.004 0.000 0.294 82 T C 1.021 175.736 174.700 0.024 0.000 1.013 82 T CA -0.588 61.532 62.100 0.034 0.000 0.996 82 T CB -0.021 68.908 68.868 0.102 0.000 1.016 82 T HN 0.553 nan 8.240 nan 0.000 0.529 83 N N 0.435 119.151 118.700 0.028 0.000 2.520 83 N HA -0.059 4.684 4.740 0.004 0.000 0.185 83 N C 1.557 177.084 175.510 0.029 0.000 1.068 83 N CA 0.519 53.579 53.050 0.016 0.000 0.911 83 N CB -0.141 38.364 38.487 0.029 0.000 0.961 83 N HN 0.549 nan 8.380 nan 0.000 0.446 84 Q N -0.607 119.223 119.800 0.049 0.000 2.360 84 Q HA 0.187 4.529 4.340 0.004 0.000 0.202 84 Q C 0.892 176.913 176.000 0.036 0.000 0.915 84 Q CA 0.246 56.075 55.803 0.044 0.000 0.943 84 Q CB 0.469 29.241 28.738 0.056 0.000 1.064 84 Q HN 0.401 nan 8.270 nan 0.000 0.511 85 G N 0.351 109.170 108.800 0.032 0.000 2.157 85 G HA2 -0.234 3.729 3.960 0.004 0.000 0.239 85 G HA3 -0.234 3.729 3.960 0.004 0.000 0.239 85 G C 0.117 175.042 174.900 0.041 0.000 0.982 85 G CA 0.123 45.237 45.100 0.024 0.000 0.650 85 G HN 0.216 nan 8.290 nan 0.000 0.527 86 V N 1.993 121.948 119.914 0.068 0.000 2.461 86 V HA 0.366 4.488 4.120 0.004 0.000 0.275 86 V C 1.279 177.412 176.094 0.064 0.000 1.047 86 V CA -0.534 61.817 62.300 0.086 0.000 0.955 86 V CB 1.079 32.999 31.823 0.162 0.000 0.988 86 V HN 0.391 nan 8.190 nan 0.000 0.471 87 R N 4.439 124.970 120.500 0.052 0.000 2.537 87 R HA 0.375 4.717 4.340 0.004 0.000 0.280 87 R C -0.538 175.776 176.300 0.024 0.000 1.058 87 R CA -0.093 56.028 56.100 0.035 0.000 1.057 87 R CB 0.539 30.859 30.300 0.034 0.000 0.973 87 R HN 0.575 nan 8.270 nan 0.000 0.438 88 I N 1.954 122.526 120.570 0.004 0.000 2.353 88 I HA 0.130 4.303 4.170 0.004 0.000 0.293 88 I C 0.952 177.059 176.117 -0.016 0.000 0.992 88 I CA 0.017 61.304 61.300 -0.022 0.000 1.268 88 I CB 1.891 39.866 38.000 -0.041 0.000 1.387 88 I HN 0.769 nan 8.210 nan 0.000 0.478 89 A N 3.969 126.776 122.820 -0.021 0.000 1.924 89 A HA 0.031 4.353 4.320 0.004 0.000 0.211 89 A C 0.629 178.199 177.584 -0.023 0.000 1.198 89 A CA 0.861 52.889 52.037 -0.015 0.000 0.657 89 A CB 0.083 19.077 19.000 -0.010 0.000 0.852 89 A HN 0.678 nan 8.150 nan 0.000 0.454 90 D N -0.521 119.857 120.400 -0.036 0.000 2.421 90 D HA 0.323 4.966 4.640 0.004 0.000 0.254 90 D C -1.360 174.909 176.300 -0.051 0.000 1.238 90 D CA -0.363 53.614 54.000 -0.039 0.000 0.919 90 D CB 1.212 41.989 40.800 -0.037 0.000 1.152 90 D HN 0.054 nan 8.370 nan 0.000 0.552 91 D N 2.085 122.457 120.400 -0.046 0.000 2.395 91 D HA 0.054 4.696 4.640 0.004 0.000 0.226 91 D C 0.687 176.956 176.300 -0.052 0.000 1.146 91 D CA 0.286 54.254 54.000 -0.053 0.000 0.830 91 D CB 0.510 41.283 40.800 -0.045 0.000 0.958 91 D HN 0.234 nan 8.370 nan 0.000 0.501 92 Q N -0.712 119.059 119.800 -0.048 0.000 2.316 92 Q HA 0.253 4.595 4.340 0.004 0.000 0.235 92 Q C -0.053 175.919 176.000 -0.048 0.000 0.863 92 Q CA 0.280 56.055 55.803 -0.046 0.000 0.939 92 Q CB 0.716 29.432 28.738 -0.037 0.000 1.108 92 Q HN 0.206 nan 8.270 nan 0.000 0.522 93 N N 0.150 118.820 118.700 -0.049 0.000 2.262 93 N HA 0.339 5.082 4.740 0.004 0.000 0.295 93 N C -0.930 174.548 175.510 -0.053 0.000 1.161 93 N CA -0.246 52.776 53.050 -0.046 0.000 0.767 93 N CB 2.143 40.608 38.487 -0.037 0.000 1.499 93 N HN -0.169 nan 8.380 nan 0.000 0.476 94 S N 0.712 116.384 115.700 -0.047 0.000 2.617 94 S HA 0.297 4.769 4.470 0.004 0.000 0.269 94 S C 0.108 174.686 174.600 -0.038 0.000 1.292 94 S CA -0.587 57.585 58.200 -0.046 0.000 1.010 94 S CB 0.785 63.964 63.200 -0.036 0.000 0.944 94 S HN 0.387 nan 8.310 nan 0.000 0.536 95 L N 3.456 124.658 121.223 -0.036 0.000 2.319 95 L HA 0.427 4.769 4.340 0.004 0.000 0.280 95 L C 0.053 176.917 176.870 -0.009 0.000 1.099 95 L CA 0.382 55.210 54.840 -0.021 0.000 0.828 95 L CB -0.114 41.937 42.059 -0.015 0.000 1.150 95 L HN 0.731 nan 8.230 nan 0.000 0.442 96 R N 4.184 124.680 120.500 -0.007 0.000 2.774 96 R HA 0.842 5.184 4.340 0.004 0.000 0.272 96 R C -1.100 175.200 176.300 0.001 0.000 1.000 96 R CA -0.806 55.293 56.100 -0.003 0.000 0.906 96 R CB 1.145 31.441 30.300 -0.006 0.000 1.227 96 R HN 0.584 nan 8.270 nan 0.000 0.468 97 A N 1.416 124.238 122.820 0.003 0.000 2.671 97 A HA 0.558 4.881 4.320 0.004 0.000 0.306 97 A C 0.655 178.240 177.584 0.001 0.000 1.473 97 A CA 0.437 52.476 52.037 0.004 0.000 1.155 97 A CB -1.100 17.903 19.000 0.006 0.000 1.123 97 A HN 1.257 nan 8.150 nan 0.000 0.545 98 G N 1.041 109.841 108.800 0.000 0.000 2.692 98 G HA2 0.053 4.015 3.960 0.004 0.000 0.686 98 G HA3 0.053 4.015 3.960 0.004 0.000 0.686 98 G C 0.636 175.534 174.900 -0.003 0.000 1.243 98 G CA 0.113 45.213 45.100 -0.001 0.000 0.782 98 G HN 1.804 nan 8.290 nan 0.000 0.625 99 S N -0.230 115.467 115.700 -0.005 0.000 2.515 99 S HA 0.022 4.494 4.470 0.004 0.000 0.231 99 S C 1.494 176.089 174.600 -0.008 0.000 0.987 99 S CA 1.324 59.519 58.200 -0.007 0.000 0.936 99 S CB 0.062 63.257 63.200 -0.008 0.000 0.766 99 S HN 0.750 nan 8.310 nan 0.000 0.528 100 R N 0.809 121.306 120.500 -0.006 0.000 2.613 100 R HA 0.345 4.688 4.340 0.004 0.000 0.361 100 R C 0.865 177.162 176.300 -0.005 0.000 1.072 100 R CA 0.027 56.123 56.100 -0.006 0.000 1.089 100 R CB 0.814 31.111 30.300 -0.005 0.000 1.343 100 R HN 0.427 nan 8.270 nan 0.000 0.571 101 G N 1.721 110.519 108.800 -0.004 0.000 2.557 101 G HA2 0.391 4.353 3.960 0.004 0.000 0.302 101 G HA3 0.391 4.353 3.960 0.004 0.000 0.302 101 G C -2.385 172.513 174.900 -0.002 0.000 1.311 101 G CA -1.121 43.978 45.100 -0.002 0.000 1.030 101 G HN -0.104 nan 8.290 nan 0.000 0.509 102 P HA 0.223 nan 4.420 nan 0.000 0.275 102 P C -0.204 177.097 177.300 0.001 0.000 1.228 102 P CA -0.081 63.020 63.100 0.001 0.000 0.786 102 P CB 0.777 32.480 31.700 0.004 0.000 0.927 103 T N 2.780 117.334 114.554 0.001 0.000 2.884 103 T HA 0.258 4.610 4.350 0.004 0.000 0.298 103 T C 0.498 175.203 174.700 0.008 0.000 0.998 103 T CA -0.142 61.959 62.100 0.001 0.000 1.124 103 T CB -0.044 68.823 68.868 -0.002 0.000 0.931 103 T HN 0.180 nan 8.240 nan 0.000 0.531 104 L N 3.649 124.879 121.223 0.011 0.000 2.334 104 L HA 0.302 4.645 4.340 0.004 0.000 0.277 104 L C 1.429 178.317 176.870 0.030 0.000 1.075 104 L CA -0.769 54.084 54.840 0.021 0.000 0.804 104 L CB 0.757 42.830 42.059 0.024 0.000 1.174 104 L HN 0.512 nan 8.230 nan 0.000 0.438 105 L N 2.273 123.517 121.223 0.034 0.000 2.265 105 L HA -0.175 4.167 4.340 0.004 0.000 0.215 105 L C 2.269 179.178 176.870 0.065 0.000 1.117 105 L CA 1.552 56.418 54.840 0.044 0.000 0.782 105 L CB -0.562 41.520 42.059 0.038 0.000 0.914 105 L HN 0.783 nan 8.230 nan 0.000 0.441 106 E N -1.615 118.628 120.200 0.071 0.000 2.511 106 E HA -0.151 4.202 4.350 0.004 0.000 0.196 106 E C 0.147 176.848 176.600 0.168 0.000 1.066 106 E CA 0.122 56.590 56.400 0.113 0.000 0.871 106 E CB -0.468 29.290 29.700 0.097 0.000 0.863 106 E HN 0.344 nan 8.360 nan 0.000 0.520 107 D N 1.221 121.679 120.400 0.098 0.000 2.455 107 D HA -0.039 4.603 4.640 0.004 0.000 0.234 107 D C 0.388 176.714 176.300 0.042 0.000 1.224 107 D CA -0.518 53.502 54.000 0.033 0.000 0.999 107 D CB -0.074 40.712 40.800 -0.023 0.000 1.072 107 D HN 0.300 nan 8.370 nan 0.000 0.514 108 F N 2.278 122.237 119.950 0.014 0.000 2.456 108 F HA 0.133 4.663 4.527 0.004 0.000 0.298 108 F C 1.575 177.387 175.800 0.021 0.000 1.104 108 F CA 0.050 58.061 58.000 0.019 0.000 1.435 108 F CB -0.578 38.432 39.000 0.017 0.000 1.078 108 F HN 0.189 nan 8.300 nan 0.000 0.546 109 I N 0.411 120.531 120.570 -0.751 0.000 2.233 109 I HA -0.187 3.986 4.170 0.004 0.000 0.243 109 I C 2.461 178.461 176.117 -0.194 0.000 1.093 109 I CA 1.009 62.017 61.300 -0.488 0.000 1.380 109 I CB -0.487 37.169 38.000 -0.572 0.000 1.067 109 I HN 0.287 nan 8.210 nan 0.000 0.413 110 L N 1.124 122.252 121.223 -0.159 0.000 2.017 110 L HA -0.180 4.163 4.340 0.004 0.000 0.208 110 L C 2.631 179.491 176.870 -0.016 0.000 1.073 110 L CA 1.834 56.629 54.840 -0.075 0.000 0.745 110 L CB -0.586 41.437 42.059 -0.060 0.000 0.894 110 L HN 0.042 nan 8.230 nan 0.000 0.432 111 R N -0.536 119.971 120.500 0.011 0.000 2.096 111 R HA -0.184 4.158 4.340 0.004 0.000 0.235 111 R C 2.324 178.677 176.300 0.088 0.000 1.127 111 R CA 1.607 57.745 56.100 0.062 0.000 0.968 111 R CB -0.385 29.966 30.300 0.085 0.000 0.861 111 R HN 0.596 nan 8.270 nan 0.000 0.440 112 E N 1.092 121.345 120.200 0.088 0.000 2.051 112 E HA -0.237 4.115 4.350 0.004 0.000 0.192 112 E C 1.945 178.619 176.600 0.124 0.000 0.991 112 E CA 1.249 57.718 56.400 0.116 0.000 0.799 112 E CB 0.097 29.866 29.700 0.115 0.000 0.748 112 E HN 0.146 nan 8.360 nan 0.000 0.449 113 K N 0.248 120.691 120.400 0.071 0.000 2.057 113 K HA -0.137 4.185 4.320 0.004 0.000 0.207 113 K C 2.105 178.783 176.600 0.129 0.000 1.049 113 K CA 1.276 57.607 56.287 0.073 0.000 0.931 113 K CB -0.008 32.491 32.500 -0.001 0.000 0.714 113 K HN 0.155 nan 8.250 nan 0.000 0.440 114 I N 1.203 121.834 120.570 0.101 0.000 2.353 114 I HA -0.167 4.005 4.170 0.004 0.000 0.248 114 I C 2.101 178.350 176.117 0.221 0.000 1.119 114 I CA 1.259 62.647 61.300 0.146 0.000 1.417 114 I CB -1.383 36.665 38.000 0.080 0.000 1.078 114 I HN 0.212 nan 8.210 nan 0.000 0.421 115 T N -0.262 114.408 114.554 0.194 0.000 2.746 115 T HA -0.210 4.142 4.350 0.004 0.000 0.267 115 T C 1.962 176.829 174.700 0.278 0.000 1.039 115 T CA 1.363 63.605 62.100 0.236 0.000 1.142 115 T CB -0.401 68.589 68.868 0.204 0.000 0.866 115 T HN 0.339 nan 8.240 nan 0.000 0.444 116 H N -0.002 119.175 119.070 0.178 0.000 2.321 116 H HA -0.082 4.477 4.556 0.004 0.000 0.300 116 H C 2.205 177.614 175.328 0.135 0.000 1.087 116 H CA 1.669 57.805 56.048 0.146 0.000 1.319 116 H CB -0.473 29.349 29.762 0.100 0.000 1.379 116 H HN 0.391 nan 8.280 nan 0.000 0.501 117 F N 2.146 122.177 119.950 0.135 0.000 2.126 117 F HA -0.204 4.325 4.527 0.004 0.000 0.299 117 F C 1.970 177.740 175.800 -0.051 0.000 1.096 117 F CA 1.796 59.821 58.000 0.043 0.000 1.255 117 F CB -0.347 38.668 39.000 0.026 0.000 0.997 117 F HN 0.082 nan 8.300 nan 0.000 0.479 118 D N -1.179 119.159 120.400 -0.103 0.000 2.263 118 D HA -0.151 4.491 4.640 0.004 0.000 0.208 118 D C 1.279 177.227 176.300 -0.587 0.000 0.971 118 D CA 1.245 55.026 54.000 -0.364 0.000 0.867 118 D CB -0.427 40.189 40.800 -0.306 0.000 0.929 118 D HN 0.503 nan 8.370 nan 0.000 0.492 119 H N -0.139 118.804 119.070 -0.212 0.000 2.469 119 H HA 0.217 4.775 4.556 0.004 0.000 0.286 119 H C 0.982 176.144 175.328 -0.276 0.000 1.106 119 H CA -0.066 55.853 56.048 -0.214 0.000 1.055 119 H CB 0.548 30.196 29.762 -0.190 0.000 1.618 119 H HN 0.279 nan 8.280 nan 0.000 0.559 120 E N 0.633 120.673 120.200 -0.266 0.000 2.150 120 E HA -0.042 4.311 4.350 0.004 0.000 0.193 120 E C 0.540 176.992 176.600 -0.248 0.000 0.985 120 E CA 0.531 56.752 56.400 -0.298 0.000 0.814 120 E CB 0.456 29.964 29.700 -0.320 0.000 0.752 120 E HN 0.169 nan 8.360 nan 0.000 0.466 121 R N 1.230 121.634 120.500 -0.159 0.000 2.459 121 R HA 0.363 4.706 4.340 0.004 0.000 0.281 121 R C 0.442 176.773 176.300 0.050 0.000 1.050 121 R CA -0.230 55.846 56.100 -0.039 0.000 1.055 121 R CB 0.715 30.982 30.300 -0.055 0.000 1.045 121 R HN 0.164 nan 8.270 nan 0.000 0.495 122 I N -1.161 119.498 120.570 0.150 0.000 2.957 122 I HA 0.576 4.749 4.170 0.004 0.000 0.310 122 I C -2.245 173.928 176.117 0.095 0.000 1.063 122 I CA -2.961 58.418 61.300 0.132 0.000 1.033 122 I CB 1.820 39.928 38.000 0.181 0.000 1.230 122 I HN 0.248 nan 8.210 nan 0.000 0.447 123 P HA 0.067 nan 4.420 nan 0.000 0.264 123 P C -0.803 176.526 177.300 0.048 0.000 1.183 123 P CA 0.019 63.144 63.100 0.041 0.000 0.763 123 P CB 0.384 32.099 31.700 0.024 0.000 0.807 124 E N 2.734 122.963 120.200 0.050 0.000 2.369 124 E HA 0.212 4.564 4.350 0.004 0.000 0.255 124 E C -0.437 176.189 176.600 0.043 0.000 1.172 124 E CA -0.879 55.557 56.400 0.059 0.000 0.932 124 E CB 0.619 30.358 29.700 0.066 0.000 1.040 124 E HN 0.257 nan 8.360 nan 0.000 0.454 125 R N 0.454 120.986 120.500 0.053 0.000 2.640 125 R HA -0.001 4.341 4.340 0.004 0.000 0.270 125 R C 1.109 177.441 176.300 0.053 0.000 1.024 125 R CA -0.115 56.014 56.100 0.047 0.000 1.085 125 R CB 0.189 30.536 30.300 0.078 0.000 0.963 125 R HN 0.616 nan 8.270 nan 0.000 0.426 126 I N 2.902 123.496 120.570 0.041 0.000 2.226 126 I HA -0.184 3.989 4.170 0.004 0.000 0.245 126 I C 0.406 176.572 176.117 0.081 0.000 1.100 126 I CA 1.426 62.758 61.300 0.052 0.000 1.374 126 I CB 0.366 38.394 38.000 0.046 0.000 1.057 126 I HN 0.416 nan 8.210 nan 0.000 0.413 127 V N -3.407 116.587 119.914 0.135 0.000 3.102 127 V HA 0.471 4.594 4.120 0.004 0.000 0.312 127 V C 0.102 176.360 176.094 0.273 0.000 1.135 127 V CA -0.786 61.624 62.300 0.184 0.000 1.022 127 V CB 1.427 33.438 31.823 0.314 0.000 1.056 127 V HN 0.402 nan 8.190 nan 0.000 0.436 128 H N 0.295 119.427 119.070 0.104 0.000 2.862 128 H HA -0.218 4.340 4.556 0.004 0.000 0.290 128 H C 1.528 176.904 175.328 0.079 0.000 1.211 128 H CA 0.784 56.888 56.048 0.094 0.000 1.140 128 H CB -1.186 28.623 29.762 0.079 0.000 1.341 128 H HN 1.166 nan 8.280 nan 0.000 0.392 129 A N 0.757 123.665 122.820 0.146 0.000 2.019 129 A HA -0.106 4.217 4.320 0.004 0.000 0.219 129 A C 1.703 179.375 177.584 0.145 0.000 1.164 129 A CA 1.328 53.440 52.037 0.125 0.000 0.644 129 A CB -0.068 18.984 19.000 0.086 0.000 0.805 129 A HN 0.283 nan 8.150 nan 0.000 0.449 130 R N 0.151 120.737 120.500 0.143 0.000 2.198 130 R HA 0.509 4.851 4.340 0.004 0.000 0.339 130 R C -0.115 176.309 176.300 0.206 0.000 1.020 130 R CA 0.722 56.925 56.100 0.171 0.000 0.864 130 R CB 0.265 30.650 30.300 0.142 0.000 1.105 130 R HN 0.291 nan 8.270 nan 0.000 0.463 131 G N 0.836 109.781 108.800 0.242 0.000 2.692 131 G HA2 0.549 4.511 3.960 0.004 0.000 0.291 131 G HA3 0.549 4.511 3.960 0.004 0.000 0.291 131 G C -1.564 173.494 174.900 0.263 0.000 1.423 131 G CA -0.613 44.601 45.100 0.189 0.000 0.843 131 G HN 0.485 nan 8.290 nan 0.000 0.486 132 S N -1.057 114.745 115.700 0.169 0.000 2.547 132 S HA 0.867 5.340 4.470 0.004 0.000 0.281 132 S C -0.231 174.378 174.600 0.016 0.000 1.118 132 S CA -0.238 58.114 58.200 0.255 0.000 0.947 132 S CB 1.746 65.206 63.200 0.434 0.000 1.053 132 S HN 1.504 nan 8.310 nan 0.000 0.482 133 A N 1.575 124.368 122.820 -0.047 0.000 2.469 133 A HA 1.032 5.354 4.320 0.004 0.000 0.299 133 A C -0.865 176.527 177.584 -0.320 0.000 1.098 133 A CA -0.727 51.075 52.037 -0.392 0.000 0.737 133 A CB 1.629 20.256 19.000 -0.622 0.000 1.312 133 A HN 1.344 nan 8.150 nan 0.000 0.414 134 A N 0.561 123.033 122.820 -0.580 0.000 2.609 134 A HA 0.737 5.059 4.320 0.004 0.000 0.291 134 A C -1.093 176.281 177.584 -0.349 0.000 1.096 134 A CA -0.644 51.211 52.037 -0.303 0.000 0.684 134 A CB 0.788 19.700 19.000 -0.146 0.000 1.282 134 A HN 0.882 nan 8.150 nan 0.000 0.412 135 H N -0.425 118.656 119.070 0.018 0.000 2.488 135 H HA 0.687 5.246 4.556 0.004 0.000 0.347 135 H C 0.600 175.924 175.328 -0.007 0.000 1.174 135 H CA 0.812 56.934 56.048 0.123 0.000 1.307 135 H CB 1.874 31.712 29.762 0.126 0.000 1.517 135 H HN 1.122 nan 8.280 nan 0.000 0.554 136 G N 0.561 109.462 108.800 0.167 0.000 2.588 136 G HA2 0.367 4.329 3.960 0.004 0.000 0.281 136 G HA3 0.367 4.329 3.960 0.004 0.000 0.281 136 G C -2.010 173.025 174.900 0.225 0.000 1.223 136 G CA -0.618 44.539 45.100 0.095 0.000 0.871 136 G HN 0.632 nan 8.290 nan 0.000 0.492 137 Y N -1.842 118.492 120.300 0.057 0.000 2.609 137 Y HA 0.826 5.378 4.550 0.004 0.000 0.336 137 Y C -1.812 174.222 175.900 0.224 0.000 1.129 137 Y CA -1.889 56.290 58.100 0.132 0.000 1.040 137 Y CB 1.851 40.365 38.460 0.090 0.000 1.310 137 Y HN 0.786 nan 8.280 nan 0.000 0.460 138 F N 2.004 122.105 119.950 0.252 0.000 2.563 138 F HA 0.725 5.254 4.527 0.004 0.000 0.316 138 F C -1.209 174.806 175.800 0.358 0.000 1.076 138 F CA -0.622 57.535 58.000 0.261 0.000 0.921 138 F CB 2.392 41.664 39.000 0.453 0.000 1.209 138 F HN 0.776 nan 8.300 nan 0.000 0.462 139 Q N 6.022 125.280 119.800 -0.903 0.000 2.309 139 Q HA 0.440 4.782 4.340 0.004 0.000 0.273 139 Q C -2.793 172.631 176.000 -0.961 0.000 1.040 139 Q CA -2.396 53.041 55.803 -0.610 0.000 0.834 139 Q CB 3.047 31.725 28.738 -0.099 0.000 1.345 139 Q HN 0.326 nan 8.270 nan 0.000 0.414 140 P HA 0.034 nan 4.420 nan 0.000 0.274 140 P C -0.570 176.674 177.300 -0.092 0.000 1.237 140 P CA 0.236 63.160 63.100 -0.293 0.000 0.793 140 P CB 0.481 32.145 31.700 -0.059 0.000 0.977 141 Y N 0.140 120.388 120.300 -0.086 0.000 2.517 141 Y HA 0.048 4.601 4.550 0.004 0.000 0.281 141 Y C 1.336 177.212 175.900 -0.039 0.000 1.125 141 Y CA -0.019 58.049 58.100 -0.054 0.000 1.283 141 Y CB 0.485 38.920 38.460 -0.042 0.000 1.042 141 Y HN 0.364 nan 8.280 nan 0.000 0.547 142 K N -1.107 119.358 120.400 0.108 0.000 2.658 142 K HA 0.281 4.603 4.320 0.004 0.000 0.293 142 K C -1.153 175.457 176.600 0.016 0.000 1.026 142 K CA -0.879 55.440 56.287 0.053 0.000 0.871 142 K CB 1.252 33.783 32.500 0.052 0.000 1.524 142 K HN -0.229 nan 8.250 nan 0.000 0.400 143 S N 0.932 116.638 115.700 0.010 0.000 2.531 143 S HA 0.220 4.692 4.470 0.004 0.000 0.279 143 S C 0.359 174.951 174.600 -0.013 0.000 1.305 143 S CA -0.692 57.505 58.200 -0.005 0.000 1.058 143 S CB -0.102 63.098 63.200 -0.000 0.000 0.899 143 S HN 0.541 nan 8.310 nan 0.000 0.493 144 L N 4.777 125.982 121.223 -0.030 0.000 2.872 144 L HA 0.143 4.486 4.340 0.004 0.000 0.245 144 L C 2.056 178.911 176.870 -0.024 0.000 1.211 144 L CA -0.029 54.798 54.840 -0.021 0.000 1.013 144 L CB -0.215 41.835 42.059 -0.014 0.000 1.326 144 L HN 0.874 nan 8.230 nan 0.000 0.525 145 S N -1.661 114.024 115.700 -0.026 0.000 2.440 145 S HA -0.192 4.281 4.470 0.004 0.000 0.238 145 S C 1.253 175.837 174.600 -0.026 0.000 1.010 145 S CA 1.187 59.370 58.200 -0.028 0.000 0.972 145 S CB -0.155 63.033 63.200 -0.020 0.000 0.774 145 S HN 0.401 nan 8.310 nan 0.000 0.501 146 D N 1.971 122.360 120.400 -0.018 0.000 2.224 146 D HA 0.043 4.685 4.640 0.004 0.000 0.205 146 D C 1.804 178.086 176.300 -0.029 0.000 0.965 146 D CA 1.347 55.336 54.000 -0.019 0.000 0.852 146 D CB -0.182 40.611 40.800 -0.011 0.000 0.947 146 D HN 0.807 nan 8.370 nan 0.000 0.494 147 I N -3.979 116.575 120.570 -0.027 0.000 4.187 147 I HA 0.227 4.399 4.170 0.004 0.000 0.326 147 I C 0.516 176.591 176.117 -0.070 0.000 1.302 147 I CA -0.019 61.255 61.300 -0.043 0.000 1.196 147 I CB 1.060 39.053 38.000 -0.012 0.000 1.095 147 I HN -0.249 nan 8.210 nan 0.000 0.411 148 T N 1.454 115.970 114.554 -0.063 0.000 2.932 148 T HA 0.324 4.676 4.350 0.004 0.000 0.318 148 T C -0.169 174.482 174.700 -0.082 0.000 1.265 148 T CA -0.712 61.333 62.100 -0.092 0.000 1.036 148 T CB 1.827 70.629 68.868 -0.111 0.000 1.209 148 T HN 0.414 nan 8.240 nan 0.000 0.484 149 K N 2.216 122.566 120.400 -0.084 0.000 2.387 149 K HA 0.585 4.907 4.320 0.004 0.000 0.198 149 K C 0.723 177.291 176.600 -0.054 0.000 1.022 149 K CA -0.344 55.907 56.287 -0.061 0.000 1.128 149 K CB 0.257 32.726 32.500 -0.052 0.000 0.853 149 K HN 0.513 nan 8.250 nan 0.000 0.523 150 A N 2.182 124.950 122.820 -0.086 0.000 2.545 150 A HA -0.076 4.246 4.320 0.004 0.000 0.253 150 A C 0.590 178.155 177.584 -0.033 0.000 1.074 150 A CA 0.195 52.196 52.037 -0.060 0.000 0.760 150 A CB -0.016 18.889 19.000 -0.159 0.000 1.005 150 A HN 0.482 nan 8.150 nan 0.000 0.506 151 D N 2.212 122.659 120.400 0.077 0.000 2.149 151 D HA -0.234 4.408 4.640 0.004 0.000 0.198 151 D C 1.383 177.773 176.300 0.149 0.000 0.990 151 D CA 2.258 56.318 54.000 0.100 0.000 0.839 151 D CB -0.238 40.639 40.800 0.128 0.000 0.948 151 D HN 0.751 nan 8.370 nan 0.000 0.460 152 F N -0.603 119.376 119.950 0.048 0.000 2.546 152 F HA 0.113 4.642 4.527 0.004 0.000 0.298 152 F C 1.122 177.018 175.800 0.160 0.000 1.120 152 F CA 0.470 58.542 58.000 0.120 0.000 1.456 152 F CB -0.222 38.851 39.000 0.123 0.000 1.088 152 F HN -0.051 nan 8.300 nan 0.000 0.572 153 L N 0.796 121.750 121.223 -0.450 0.000 2.769 153 L HA 0.181 4.523 4.340 0.004 0.000 0.240 153 L C 1.962 178.751 176.870 -0.136 0.000 1.163 153 L CA 0.356 54.975 54.840 -0.369 0.000 0.962 153 L CB -0.100 41.621 42.059 -0.564 0.000 1.258 153 L HN 0.324 nan 8.230 nan 0.000 0.513 154 S N -2.038 113.626 115.700 -0.060 0.000 2.501 154 S HA 0.021 4.494 4.470 0.004 0.000 0.220 154 S C 0.346 174.948 174.600 0.003 0.000 0.997 154 S CA 0.014 58.201 58.200 -0.022 0.000 0.919 154 S CB 0.015 63.216 63.200 0.001 0.000 0.778 154 S HN 0.434 nan 8.310 nan 0.000 0.523 155 D N 0.088 120.501 120.400 0.021 0.000 2.886 155 D HA 0.367 5.009 4.640 0.004 0.000 0.216 155 D C -2.684 173.637 176.300 0.036 0.000 1.256 155 D CA -1.715 52.302 54.000 0.029 0.000 0.844 155 D CB 1.748 42.570 40.800 0.037 0.000 1.669 155 D HN -0.201 nan 8.370 nan 0.000 0.513 156 P HA -0.017 nan 4.420 nan 0.000 0.222 156 P C 0.241 177.565 177.300 0.041 0.000 1.147 156 P CA 0.925 64.046 63.100 0.035 0.000 0.790 156 P CB 0.055 31.784 31.700 0.048 0.000 0.780 157 N N -0.756 117.970 118.700 0.043 0.000 2.383 157 N HA 0.003 4.745 4.740 0.004 0.000 0.192 157 N C 0.572 176.120 175.510 0.062 0.000 1.141 157 N CA -0.076 53.001 53.050 0.046 0.000 0.851 157 N CB -0.133 38.375 38.487 0.035 0.000 0.976 157 N HN 0.094 nan 8.380 nan 0.000 0.465 158 K N 1.892 122.341 120.400 0.082 0.000 2.284 158 K HA 0.256 4.578 4.320 0.004 0.000 0.287 158 K C -0.838 175.864 176.600 0.170 0.000 1.081 158 K CA -0.145 56.218 56.287 0.126 0.000 0.910 158 K CB 0.384 32.974 32.500 0.149 0.000 1.088 158 K HN 0.044 nan 8.250 nan 0.000 0.478 159 I N 3.826 124.494 120.570 0.164 0.000 2.315 159 I HA 0.143 4.316 4.170 0.004 0.000 0.291 159 I C -0.182 176.105 176.117 0.282 0.000 1.006 159 I CA -0.447 60.979 61.300 0.210 0.000 1.265 159 I CB 1.829 39.893 38.000 0.107 0.000 1.387 159 I HN 0.510 nan 8.210 nan 0.000 0.475 160 T N 7.503 122.312 114.554 0.424 0.000 2.770 160 T HA 0.353 4.705 4.350 0.004 0.000 0.283 160 T C -2.475 172.480 174.700 0.425 0.000 0.988 160 T CA -1.445 60.924 62.100 0.447 0.000 0.957 160 T CB 1.487 70.729 68.868 0.624 0.000 0.930 160 T HN 0.247 nan 8.240 nan 0.000 0.443 161 P HA 0.258 nan 4.420 nan 0.000 0.269 161 P C -0.641 176.892 177.300 0.390 0.000 1.209 161 P CA -0.399 62.886 63.100 0.309 0.000 0.776 161 P CB 0.499 32.298 31.700 0.165 0.000 0.876 162 V N -0.302 119.788 119.914 0.293 0.000 3.078 162 V HA 0.743 4.866 4.120 0.004 0.000 0.311 162 V C -1.380 174.867 176.094 0.255 0.000 1.138 162 V CA -0.956 61.423 62.300 0.132 0.000 1.007 162 V CB 2.300 33.991 31.823 -0.220 0.000 1.045 162 V HN 0.324 nan 8.190 nan 0.000 0.432 163 F N 2.147 122.078 119.950 -0.031 0.000 2.536 163 F HA 0.835 5.364 4.527 0.004 0.000 0.322 163 F C -0.895 174.816 175.800 -0.148 0.000 1.144 163 F CA -0.768 57.164 58.000 -0.113 0.000 0.924 163 F CB 1.914 40.862 39.000 -0.087 0.000 1.181 163 F HN 0.525 nan 8.300 nan 0.000 0.438 164 V N 6.616 126.090 119.914 -0.734 0.000 2.495 164 V HA 0.582 4.704 4.120 0.004 0.000 0.298 164 V C -0.616 174.841 176.094 -1.062 0.000 1.031 164 V CA -0.835 60.969 62.300 -0.826 0.000 0.871 164 V CB 1.954 33.224 31.823 -0.920 0.000 0.988 164 V HN 0.725 nan 8.190 nan 0.000 0.432 165 R N 3.477 123.351 120.500 -1.043 0.000 2.480 165 R HA 0.632 4.975 4.340 0.004 0.000 0.306 165 R C -1.661 174.044 176.300 -0.992 0.000 0.958 165 R CA -0.436 55.140 56.100 -0.874 0.000 0.861 165 R CB 1.220 31.205 30.300 -0.525 0.000 1.171 165 R HN 0.556 nan 8.270 nan 0.000 0.445 166 F N 1.949 121.503 119.950 -0.661 0.000 2.425 166 F HA 0.540 5.070 4.527 0.004 0.000 0.331 166 F C 0.460 175.933 175.800 -0.545 0.000 1.085 166 F CA -0.232 57.259 58.000 -0.849 0.000 1.028 166 F CB 2.172 40.136 39.000 -1.728 0.000 1.177 166 F HN 0.627 nan 8.300 nan 0.000 0.487 167 S N -0.890 114.761 115.700 -0.083 0.000 2.611 167 S HA 0.646 5.119 4.470 0.004 0.000 0.268 167 S C -0.707 174.039 174.600 0.244 0.000 1.156 167 S CA -0.947 57.338 58.200 0.141 0.000 0.817 167 S CB 1.335 64.657 63.200 0.204 0.000 1.122 167 S HN 0.716 nan 8.310 nan 0.000 0.466 168 T N -1.498 113.181 114.554 0.208 0.000 2.884 168 T HA 0.691 5.044 4.350 0.004 0.000 0.277 168 T C 0.870 175.517 174.700 -0.089 0.000 0.976 168 T CA -0.334 61.843 62.100 0.128 0.000 0.956 168 T CB 0.730 69.678 68.868 0.134 0.000 1.113 168 T HN 0.574 nan 8.240 nan 0.000 0.554 169 V N 0.187 120.008 119.914 -0.156 0.000 2.627 169 V HA 0.064 4.186 4.120 0.004 0.000 0.239 169 V C 2.836 178.834 176.094 -0.161 0.000 1.077 169 V CA 0.942 63.021 62.300 -0.369 0.000 1.103 169 V CB -0.613 31.120 31.823 -0.150 0.000 0.802 169 V HN 0.963 nan 8.190 nan 0.000 0.482 170 Q N 0.638 120.385 119.800 -0.089 0.000 2.033 170 Q HA 0.079 4.421 4.340 0.004 0.000 0.196 170 Q C 1.393 177.361 176.000 -0.054 0.000 0.970 170 Q CA 1.147 56.901 55.803 -0.083 0.000 0.828 170 Q CB -0.308 28.366 28.738 -0.106 0.000 0.895 170 Q HN 0.607 nan 8.270 nan 0.000 0.440 171 G N 0.002 108.784 108.800 -0.030 0.000 2.664 171 G HA2 0.329 4.291 3.960 0.004 0.000 0.242 171 G HA3 0.329 4.291 3.960 0.004 0.000 0.242 171 G C 0.175 175.076 174.900 0.002 0.000 1.225 171 G CA -0.047 45.043 45.100 -0.018 0.000 0.849 171 G HN 0.405 nan 8.290 nan 0.000 0.581 172 G N -1.054 107.744 108.800 -0.003 0.000 2.611 172 G HA2 0.478 4.441 3.960 0.004 0.000 0.273 172 G HA3 0.478 4.441 3.960 0.004 0.000 0.273 172 G C 1.328 176.254 174.900 0.043 0.000 1.305 172 G CA 0.436 45.545 45.100 0.016 0.000 1.010 172 G HN 1.087 nan 8.290 nan 0.000 0.509 173 A N -1.047 121.809 122.820 0.059 0.000 2.067 173 A HA 0.175 4.498 4.320 0.004 0.000 0.219 173 A C 2.183 179.803 177.584 0.060 0.000 1.158 173 A CA 1.880 53.972 52.037 0.091 0.000 0.661 173 A CB -0.327 18.745 19.000 0.119 0.000 0.801 173 A HN 1.084 nan 8.150 nan 0.000 0.452 174 G N -0.112 108.704 108.800 0.027 0.000 3.284 174 G HA2 0.335 4.297 3.960 0.004 0.000 0.236 174 G HA3 0.335 4.297 3.960 0.004 0.000 0.236 174 G C 0.696 175.594 174.900 -0.002 0.000 1.158 174 G CA 0.646 45.748 45.100 0.002 0.000 0.774 174 G HN 0.632 nan 8.290 nan 0.000 0.545 175 S N -0.191 115.516 115.700 0.011 0.000 2.661 175 S HA 0.745 5.217 4.470 0.004 0.000 0.265 175 S C 0.441 175.050 174.600 0.016 0.000 1.225 175 S CA -0.087 58.115 58.200 0.004 0.000 0.986 175 S CB 1.554 64.757 63.200 0.004 0.000 1.008 175 S HN 0.549 nan 8.310 nan 0.000 0.565 176 A N 0.065 122.890 122.820 0.007 0.000 2.302 176 A HA 0.473 4.795 4.320 0.004 0.000 0.285 176 A C 0.529 178.131 177.584 0.029 0.000 1.105 176 A CA -0.629 51.410 52.037 0.003 0.000 0.816 176 A CB 0.016 18.999 19.000 -0.029 0.000 1.067 176 A HN 0.843 nan 8.150 nan 0.000 0.489 177 D N 0.488 120.898 120.400 0.016 0.000 2.120 177 D HA -0.066 4.577 4.640 0.004 0.000 0.202 177 D C 1.641 177.921 176.300 -0.033 0.000 0.972 177 D CA 2.276 56.299 54.000 0.039 0.000 0.837 177 D CB -0.297 40.495 40.800 -0.014 0.000 0.989 177 D HN 0.674 nan 8.370 nan 0.000 0.469 178 T N -0.016 114.434 114.554 -0.174 0.000 3.406 178 T HA 0.271 4.624 4.350 0.004 0.000 0.244 178 T C 0.826 175.494 174.700 -0.054 0.000 0.949 178 T CA -0.556 61.436 62.100 -0.181 0.000 0.926 178 T CB -1.071 67.607 68.868 -0.317 0.000 1.089 178 T HN -0.075 nan 8.240 nan 0.000 0.604 179 V N -1.303 118.632 119.914 0.034 0.000 3.319 179 V HA 0.445 4.568 4.120 0.004 0.000 0.303 179 V C 0.704 176.916 176.094 0.198 0.000 1.094 179 V CA -1.446 60.917 62.300 0.104 0.000 1.106 179 V CB 0.484 32.365 31.823 0.097 0.000 1.099 179 V HN 0.551 nan 8.190 nan 0.000 0.476 180 R N 2.116 122.794 120.500 0.297 0.000 2.196 180 R HA 0.462 4.804 4.340 0.004 0.000 0.340 180 R C -0.663 175.729 176.300 0.154 0.000 1.043 180 R CA -0.214 56.044 56.100 0.265 0.000 0.883 180 R CB 0.297 30.750 30.300 0.255 0.000 1.078 180 R HN 0.929 nan 8.270 nan 0.000 0.462 181 Q N 3.420 123.317 119.800 0.162 0.000 2.687 181 Q HA 0.276 4.619 4.340 0.004 0.000 0.295 181 Q C -0.693 175.421 176.000 0.190 0.000 0.920 181 Q CA -0.878 55.008 55.803 0.138 0.000 0.766 181 Q CB 1.481 30.288 28.738 0.116 0.000 1.467 181 Q HN 0.509 nan 8.270 nan 0.000 0.415 182 I N 1.595 122.295 120.570 0.217 0.000 2.779 182 I HA 0.181 4.353 4.170 0.004 0.000 0.285 182 I C 0.530 176.789 176.117 0.236 0.000 1.134 182 I CA 0.103 61.539 61.300 0.226 0.000 1.398 182 I CB 0.083 38.236 38.000 0.256 0.000 1.404 182 I HN 0.283 nan 8.210 nan 0.000 0.587 183 R N 3.024 123.683 120.500 0.265 0.000 2.664 183 R HA 0.568 4.911 4.340 0.004 0.000 0.286 183 R C -0.047 176.451 176.300 0.329 0.000 0.967 183 R CA -0.741 55.535 56.100 0.292 0.000 0.933 183 R CB 1.472 31.961 30.300 0.314 0.000 1.146 183 R HN 0.795 nan 8.270 nan 0.000 0.468 184 G N 0.856 109.868 108.800 0.354 0.000 2.400 184 G HA2 0.494 4.457 3.960 0.004 0.000 0.301 184 G HA3 0.494 4.457 3.960 0.004 0.000 0.301 184 G C -1.310 173.672 174.900 0.136 0.000 1.154 184 G CA -0.082 45.188 45.100 0.282 0.000 0.852 184 G HN 0.351 nan 8.290 nan 0.000 0.511 185 F N 1.883 121.741 119.950 -0.152 0.000 3.090 185 F HA 0.636 5.165 4.527 0.004 0.000 0.381 185 F C -0.223 175.300 175.800 -0.461 0.000 1.231 185 F CA -1.813 56.002 58.000 -0.309 0.000 1.177 185 F CB 1.045 39.981 39.000 -0.107 0.000 1.598 185 F HN 0.664 nan 8.300 nan 0.000 0.589 186 A N 3.355 125.919 122.820 -0.427 0.000 2.303 186 A HA 0.794 5.116 4.320 0.004 0.000 0.320 186 A C -0.595 176.560 177.584 -0.715 0.000 1.192 186 A CA -0.432 51.186 52.037 -0.699 0.000 0.821 186 A CB 0.860 19.063 19.000 -1.330 0.000 1.188 186 A HN 0.530 nan 8.150 nan 0.000 0.492 187 T N 2.263 116.563 114.554 -0.424 0.000 2.812 187 T HA 0.393 4.745 4.350 0.004 0.000 0.282 187 T C -0.378 174.174 174.700 -0.248 0.000 0.990 187 T CA -0.480 61.395 62.100 -0.376 0.000 0.960 187 T CB 1.119 69.718 68.868 -0.449 0.000 0.948 187 T HN 0.635 nan 8.240 nan 0.000 0.438 188 K N 3.393 123.714 120.400 -0.131 0.000 2.263 188 K HA 0.451 4.773 4.320 0.004 0.000 0.272 188 K C -1.266 175.035 176.600 -0.497 0.000 1.033 188 K CA -0.581 55.537 56.287 -0.282 0.000 0.884 188 K CB 0.337 32.600 32.500 -0.394 0.000 1.107 188 K HN 0.379 nan 8.250 nan 0.000 0.460 189 F N 4.342 124.020 119.950 -0.452 0.000 2.391 189 F HA 0.232 4.762 4.527 0.004 0.000 0.359 189 F C -0.399 175.210 175.800 -0.318 0.000 1.122 189 F CA -0.544 57.258 58.000 -0.331 0.000 1.120 189 F CB 0.668 39.394 39.000 -0.457 0.000 1.142 189 F HN 0.440 nan 8.300 nan 0.000 0.483 190 Y N 1.852 122.211 120.300 0.098 0.000 2.632 190 Y HA 0.206 4.758 4.550 0.004 0.000 0.336 190 Y C 1.110 177.068 175.900 0.096 0.000 1.237 190 Y CA -0.832 57.309 58.100 0.069 0.000 1.595 190 Y CB -0.324 38.165 38.460 0.050 0.000 1.508 190 Y HN 0.555 nan 8.280 nan 0.000 0.480 191 T N -2.372 112.280 114.554 0.163 0.000 2.816 191 T HA 0.143 4.495 4.350 0.004 0.000 0.282 191 T C 1.013 175.806 174.700 0.156 0.000 0.993 191 T CA -0.659 61.539 62.100 0.164 0.000 0.994 191 T CB 1.023 69.954 68.868 0.105 0.000 1.025 191 T HN 0.650 nan 8.240 nan 0.000 0.529 192 E N -0.052 120.244 120.200 0.160 0.000 2.418 192 E HA -0.027 4.325 4.350 0.004 0.000 0.197 192 E C 1.023 177.691 176.600 0.112 0.000 1.026 192 E CA 0.648 57.125 56.400 0.129 0.000 0.862 192 E CB 0.128 29.902 29.700 0.122 0.000 0.799 192 E HN 0.719 nan 8.360 nan 0.000 0.518 193 E N 0.112 120.380 120.200 0.113 0.000 2.651 193 E HA 0.257 4.610 4.350 0.004 0.000 0.208 193 E C 0.041 176.690 176.600 0.080 0.000 0.997 193 E CA -0.240 56.218 56.400 0.098 0.000 1.020 193 E CB 1.326 31.087 29.700 0.101 0.000 1.052 193 E HN 0.182 nan 8.360 nan 0.000 0.465 194 G N 1.233 110.076 108.800 0.071 0.000 2.459 194 G HA2 -0.118 3.844 3.960 0.004 0.000 0.685 194 G HA3 -0.118 3.844 3.960 0.004 0.000 0.685 194 G C -0.837 174.071 174.900 0.012 0.000 1.303 194 G CA -1.109 44.010 45.100 0.031 0.000 0.907 194 G HN 0.038 nan 8.290 nan 0.000 0.632 195 I N 0.785 121.327 120.570 -0.047 0.000 2.471 195 I HA 0.370 4.542 4.170 0.004 0.000 0.286 195 I C 0.079 176.201 176.117 0.008 0.000 1.079 195 I CA -0.010 61.236 61.300 -0.089 0.000 1.398 195 I CB 0.798 38.675 38.000 -0.205 0.000 1.403 195 I HN 0.461 nan 8.210 nan 0.000 0.530 196 F N 6.823 126.667 119.950 -0.176 0.000 2.426 196 F HA 0.449 4.978 4.527 0.004 0.000 0.348 196 F C -0.570 175.195 175.800 -0.058 0.000 1.124 196 F CA -1.182 56.712 58.000 -0.177 0.000 1.008 196 F CB 0.772 39.510 39.000 -0.438 0.000 1.139 196 F HN 0.342 nan 8.300 nan 0.000 0.452 197 D N 6.680 126.873 120.400 -0.346 0.000 2.303 197 D HA 0.248 4.890 4.640 0.004 0.000 0.236 197 D C -1.005 174.849 176.300 -0.744 0.000 1.068 197 D CA -0.129 53.630 54.000 -0.402 0.000 0.830 197 D CB 2.135 42.887 40.800 -0.080 0.000 1.109 197 D HN 0.507 nan 8.370 nan 0.000 0.496 198 L N 3.953 124.699 121.223 -0.795 0.000 2.272 198 L HA 0.273 4.615 4.340 0.004 0.000 0.284 198 L C -1.069 175.587 176.870 -0.356 0.000 1.045 198 L CA -0.619 53.826 54.840 -0.659 0.000 0.842 198 L CB 1.058 42.719 42.059 -0.663 0.000 1.224 198 L HN 0.077 nan 8.230 nan 0.000 0.430 199 V N 6.024 125.762 119.914 -0.293 0.000 2.270 199 V HA 0.705 4.827 4.120 0.004 0.000 0.263 199 V C 0.852 176.843 176.094 -0.171 0.000 1.066 199 V CA -0.002 62.137 62.300 -0.269 0.000 0.857 199 V CB 0.113 31.745 31.823 -0.319 0.000 1.099 199 V HN 0.851 nan 8.190 nan 0.000 0.476 200 G N 3.327 112.042 108.800 -0.142 0.000 3.016 200 G HA2 0.659 4.621 3.960 0.004 0.000 0.270 200 G HA3 0.659 4.621 3.960 0.004 0.000 0.270 200 G C -0.898 174.016 174.900 0.022 0.000 1.352 200 G CA -0.620 44.446 45.100 -0.058 0.000 1.060 200 G HN 0.480 nan 8.290 nan 0.000 0.538 201 N N -0.964 117.796 118.700 0.101 0.000 2.701 201 N HA 0.249 4.991 4.740 0.004 0.000 0.290 201 N C 0.378 176.060 175.510 0.287 0.000 1.338 201 N CA -0.752 52.419 53.050 0.202 0.000 0.799 201 N CB 1.423 40.022 38.487 0.186 0.000 1.491 201 N HN 0.526 nan 8.380 nan 0.000 0.540 202 N N -1.372 117.517 118.700 0.315 0.000 2.322 202 N HA -0.008 4.735 4.740 0.004 0.000 0.194 202 N C -0.533 175.223 175.510 0.409 0.000 1.126 202 N CA -0.052 53.239 53.050 0.401 0.000 0.845 202 N CB -0.156 38.546 38.487 0.359 0.000 0.976 202 N HN 0.544 nan 8.380 nan 0.000 0.475 203 T N -3.597 111.011 114.554 0.090 0.000 2.906 203 T HA 0.446 4.798 4.350 0.004 0.000 0.295 203 T C -2.580 171.486 174.700 -1.057 0.000 1.061 203 T CA -1.627 60.102 62.100 -0.619 0.000 1.000 203 T CB 2.968 71.396 68.868 -0.734 0.000 1.103 203 T HN -0.254 nan 8.240 nan 0.000 0.486 204 P HA 0.178 nan 4.420 nan 0.000 0.245 204 P C 0.451 177.228 177.300 -0.872 0.000 1.212 204 P CA 0.149 62.326 63.100 -1.539 0.000 0.774 204 P CB -0.067 30.707 31.700 -1.544 0.000 0.999 205 I N -4.763 115.273 120.570 -0.889 0.000 3.264 205 I HA 0.539 4.712 4.170 0.004 0.000 0.315 205 I C -1.201 174.634 176.117 -0.470 0.000 1.154 205 I CA -1.900 59.031 61.300 -0.615 0.000 0.962 205 I CB 1.423 39.018 38.000 -0.675 0.000 1.265 205 I HN -0.249 nan 8.210 nan 0.000 0.463 206 F N 0.425 120.089 119.950 -0.476 0.000 2.613 206 F HA 0.504 5.033 4.527 0.004 0.000 0.342 206 F C 0.444 176.007 175.800 -0.396 0.000 1.066 206 F CA -0.730 57.028 58.000 -0.405 0.000 1.002 206 F CB 1.918 40.802 39.000 -0.193 0.000 1.319 206 F HN 0.389 nan 8.300 nan 0.000 0.495 207 F N 1.892 121.162 119.950 -1.134 0.000 2.259 207 F HA 0.058 4.588 4.527 0.004 0.000 0.298 207 F C 0.627 176.167 175.800 -0.432 0.000 1.088 207 F CA 0.727 58.214 58.000 -0.854 0.000 1.358 207 F CB -0.034 38.048 39.000 -1.531 0.000 1.040 207 F HN 0.123 nan 8.300 nan 0.000 0.505 208 I N -3.285 117.283 120.570 -0.002 0.000 3.002 208 I HA 0.369 4.541 4.170 0.004 0.000 0.310 208 I C 0.352 176.613 176.117 0.242 0.000 1.087 208 I CA -0.844 60.551 61.300 0.157 0.000 1.017 208 I CB 1.845 39.985 38.000 0.233 0.000 1.226 208 I HN -0.147 nan 8.210 nan 0.000 0.443 209 Q N 0.364 120.306 119.800 0.236 0.000 2.259 209 Q HA 0.132 4.474 4.340 0.004 0.000 0.201 209 Q C -0.274 175.891 176.000 0.275 0.000 0.938 209 Q CA 0.669 56.649 55.803 0.296 0.000 0.872 209 Q CB 0.424 29.411 28.738 0.416 0.000 0.971 209 Q HN 0.659 nan 8.270 nan 0.000 0.494 210 D N -1.145 119.390 120.400 0.225 0.000 2.498 210 D HA 0.314 4.957 4.640 0.004 0.000 0.247 210 D C 0.014 176.431 176.300 0.196 0.000 1.070 210 D CA -0.243 53.860 54.000 0.172 0.000 0.842 210 D CB 1.833 42.709 40.800 0.127 0.000 1.361 210 D HN 0.033 nan 8.370 nan 0.000 0.484 211 A N 3.282 126.187 122.820 0.143 0.000 2.024 211 A HA -0.242 4.080 4.320 0.004 0.000 0.220 211 A C 1.799 179.494 177.584 0.184 0.000 1.164 211 A CA 1.753 53.870 52.037 0.133 0.000 0.643 211 A CB -0.811 18.214 19.000 0.043 0.000 0.806 211 A HN 0.823 nan 8.150 nan 0.000 0.451 212 H N 0.017 119.147 119.070 0.099 0.000 2.457 212 H HA -0.044 4.514 4.556 0.004 0.000 0.297 212 H C 1.579 176.986 175.328 0.132 0.000 1.092 212 H CA 1.938 58.041 56.048 0.092 0.000 1.309 212 H CB 0.090 29.884 29.762 0.053 0.000 1.382 212 H HN 0.387 nan 8.280 nan 0.000 0.535 213 K N -0.572 119.968 120.400 0.233 0.000 2.444 213 K HA -0.044 4.279 4.320 0.004 0.000 0.193 213 K C 1.413 178.161 176.600 0.246 0.000 1.024 213 K CA 0.010 56.438 56.287 0.235 0.000 1.077 213 K CB 0.055 32.740 32.500 0.309 0.000 0.833 213 K HN 0.297 nan 8.250 nan 0.000 0.517 214 F N 3.032 123.039 119.950 0.095 0.000 2.095 214 F HA -0.149 4.380 4.527 0.004 0.000 0.298 214 F C -1.006 174.812 175.800 0.029 0.000 1.104 214 F CA 1.432 59.507 58.000 0.124 0.000 1.232 214 F CB -0.535 38.529 39.000 0.107 0.000 0.987 214 F HN 0.021 nan 8.300 nan 0.000 0.475 215 P HA -0.153 nan 4.420 nan 0.000 0.216 215 P C 1.018 178.019 177.300 -0.498 0.000 1.150 215 P CA 1.857 64.740 63.100 -0.362 0.000 0.837 215 P CB -0.079 31.427 31.700 -0.324 0.000 0.786 216 D N -1.306 118.950 120.400 -0.241 0.000 2.084 216 D HA -0.147 4.496 4.640 0.004 0.000 0.196 216 D C 1.846 177.892 176.300 -0.423 0.000 0.985 216 D CA 0.998 54.897 54.000 -0.168 0.000 0.826 216 D CB -0.883 39.990 40.800 0.122 0.000 0.978 216 D HN 0.146 nan 8.370 nan 0.000 0.456 217 F N 1.978 121.525 119.950 -0.672 0.000 2.095 217 F HA -0.247 4.283 4.527 0.004 0.000 0.298 217 F C 2.267 177.682 175.800 -0.642 0.000 1.104 217 F CA 1.217 58.614 58.000 -1.005 0.000 1.232 217 F CB -0.187 38.457 39.000 -0.592 0.000 0.987 217 F HN -0.247 nan 8.300 nan 0.000 0.475 218 V N 0.266 119.804 119.914 -0.627 0.000 2.343 218 V HA -0.341 3.782 4.120 0.004 0.000 0.247 218 V C 2.283 178.176 176.094 -0.335 0.000 1.051 218 V CA 2.457 64.415 62.300 -0.571 0.000 1.036 218 V CB -1.055 30.432 31.823 -0.560 0.000 0.654 218 V HN 0.474 nan 8.190 nan 0.000 0.451 219 H N -0.262 118.601 119.070 -0.345 0.000 2.387 219 H HA -0.143 4.416 4.556 0.004 0.000 0.299 219 H C 2.329 177.520 175.328 -0.228 0.000 1.099 219 H CA 1.056 56.974 56.048 -0.216 0.000 1.315 219 H CB 0.023 29.706 29.762 -0.132 0.000 1.380 219 H HN 0.487 nan 8.280 nan 0.000 0.513 220 A N 0.426 123.097 122.820 -0.247 0.000 1.933 220 A HA -0.118 4.204 4.320 0.004 0.000 0.218 220 A C 2.510 179.954 177.584 -0.235 0.000 1.175 220 A CA 1.425 53.306 52.037 -0.261 0.000 0.628 220 A CB -0.712 18.005 19.000 -0.472 0.000 0.814 220 A HN 0.304 nan 8.150 nan 0.000 0.444 221 V N -0.217 119.429 119.914 -0.447 0.000 2.788 221 V HA -0.004 4.119 4.120 0.004 0.000 0.251 221 V C 0.941 176.988 176.094 -0.078 0.000 1.068 221 V CA 0.846 62.938 62.300 -0.346 0.000 1.090 221 V CB -0.450 30.955 31.823 -0.698 0.000 0.710 221 V HN 0.348 nan 8.190 nan 0.000 0.467 222 K N 1.055 121.384 120.400 -0.118 0.000 2.149 222 K HA 0.232 4.554 4.320 0.004 0.000 0.245 222 K C -2.311 174.235 176.600 -0.091 0.000 1.024 222 K CA -1.677 54.553 56.287 -0.094 0.000 0.899 222 K CB -0.373 32.068 32.500 -0.098 0.000 1.038 222 K HN 0.148 nan 8.250 nan 0.000 0.496 223 P HA -0.043 nan 4.420 nan 0.000 0.264 223 P C -0.553 176.684 177.300 -0.104 0.000 1.183 223 P CA 0.507 63.472 63.100 -0.225 0.000 0.763 223 P CB 0.258 31.837 31.700 -0.203 0.000 0.807 224 E N 5.648 125.831 120.200 -0.029 0.000 2.398 224 E HA -0.015 4.337 4.350 0.004 0.000 0.263 224 E C -1.200 175.473 176.600 0.123 0.000 1.046 224 E CA -1.299 55.193 56.400 0.153 0.000 0.908 224 E CB 0.107 30.022 29.700 0.358 0.000 0.963 224 E HN 0.427 nan 8.360 nan 0.000 0.431 225 P HA -0.213 nan 4.420 nan 0.000 0.221 225 P C 1.025 178.400 177.300 0.125 0.000 1.150 225 P CA 1.446 64.592 63.100 0.076 0.000 0.800 225 P CB 0.012 31.730 31.700 0.030 0.000 0.787 226 H N -0.863 118.246 119.070 0.066 0.000 2.326 226 H HA -0.082 4.476 4.556 0.004 0.000 0.301 226 H C 1.527 176.958 175.328 0.172 0.000 1.081 226 H CA 1.475 57.551 56.048 0.048 0.000 1.334 226 H CB -1.370 28.352 29.762 -0.068 0.000 1.385 226 H HN 0.319 nan 8.280 nan 0.000 0.504 227 W N 0.029 120.982 121.300 -0.579 0.000 2.870 227 W HA 0.696 5.358 4.660 0.004 0.000 0.358 227 W C 0.418 176.775 176.519 -0.271 0.000 1.043 227 W CA -1.063 56.058 57.345 -0.372 0.000 1.692 227 W CB -0.708 28.498 29.460 -0.424 0.000 1.100 227 W HN 0.433 nan 8.180 nan 0.000 0.557 228 A N 1.374 124.163 122.820 -0.051 0.000 2.667 228 A HA -0.135 4.187 4.320 0.004 0.000 0.298 228 A C -0.454 176.896 177.584 -0.389 0.000 1.483 228 A CA 1.431 53.362 52.037 -0.176 0.000 0.738 228 A CB -2.407 16.518 19.000 -0.124 0.000 1.067 228 A HN 0.471 nan 8.150 nan 0.000 0.451 229 I N 0.428 120.627 120.570 -0.619 0.000 2.686 229 I HA 0.530 4.703 4.170 0.004 0.000 0.295 229 I C -2.477 173.335 176.117 -0.508 0.000 1.114 229 I CA -2.390 58.448 61.300 -0.770 0.000 1.038 229 I CB 2.935 39.993 38.000 -1.569 0.000 1.238 229 I HN 0.199 nan 8.210 nan 0.000 0.420 230 P HA 0.298 nan 4.420 nan 0.000 0.287 230 P C -0.405 176.722 177.300 -0.288 0.000 1.279 230 P CA -0.470 62.412 63.100 -0.363 0.000 0.867 230 P CB 1.956 33.525 31.700 -0.218 0.000 1.127 231 Q N 2.016 121.695 119.800 -0.202 0.000 1.990 231 Q HA 0.008 4.351 4.340 0.004 0.000 0.200 231 Q C 1.571 177.511 176.000 -0.100 0.000 0.980 231 Q CA 2.622 58.338 55.803 -0.145 0.000 0.832 231 Q CB -1.110 27.560 28.738 -0.114 0.000 0.897 231 Q HN 0.679 nan 8.270 nan 0.000 0.427 232 G N -0.688 108.077 108.800 -0.058 0.000 3.695 232 G HA2 0.197 4.160 3.960 0.004 0.000 0.277 232 G HA3 0.197 4.160 3.960 0.004 0.000 0.277 232 G C -0.389 174.512 174.900 0.002 0.000 1.001 232 G CA -0.376 44.708 45.100 -0.026 0.000 0.837 232 G HN 0.061 nan 8.290 nan 0.000 0.492 233 Q N 0.271 120.078 119.800 0.011 0.000 2.345 233 Q HA 0.360 4.703 4.340 0.004 0.000 0.268 233 Q C 0.512 176.535 176.000 0.037 0.000 1.054 233 Q CA -0.442 55.401 55.803 0.067 0.000 0.835 233 Q CB 1.853 30.697 28.738 0.176 0.000 1.339 233 Q HN 0.192 nan 8.270 nan 0.000 0.447 234 S N -1.112 114.537 115.700 -0.086 0.000 2.605 234 S HA 0.196 4.668 4.470 0.004 0.000 0.217 234 S C 0.794 175.385 174.600 -0.015 0.000 0.958 234 S CA -0.058 57.930 58.200 -0.353 0.000 0.919 234 S CB 0.119 62.595 63.200 -1.206 0.000 0.780 234 S HN 0.545 nan 8.310 nan 0.000 0.507 235 A N 2.338 125.319 122.820 0.268 0.000 3.048 235 A HA 0.497 4.819 4.320 0.004 0.000 0.264 235 A C 0.149 177.978 177.584 0.408 0.000 1.796 235 A CA -0.564 51.704 52.037 0.385 0.000 1.445 235 A CB -1.240 17.938 19.000 0.296 0.000 1.074 235 A HN 0.904 nan 8.150 nan 0.000 0.621 236 H N -3.553 115.710 119.070 0.322 0.000 3.037 236 H HA 0.532 5.091 4.556 0.004 0.000 0.355 236 H C -0.224 175.299 175.328 0.325 0.000 1.263 236 H CA -0.771 55.432 56.048 0.258 0.000 1.129 236 H CB 0.423 30.295 29.762 0.183 0.000 1.861 236 H HN 0.074 nan 8.280 nan 0.000 0.546 237 D N 0.341 120.912 120.400 0.286 0.000 2.116 237 D HA -0.224 4.418 4.640 0.004 0.000 0.193 237 D C 2.130 178.495 176.300 0.108 0.000 0.998 237 D CA 3.161 57.268 54.000 0.178 0.000 0.836 237 D CB -0.425 40.458 40.800 0.137 0.000 0.951 237 D HN 0.798 nan 8.370 nan 0.000 0.449 238 T N -1.694 112.921 114.554 0.102 0.000 2.833 238 T HA -0.192 4.161 4.350 0.004 0.000 0.269 238 T C 1.903 176.553 174.700 -0.084 0.000 1.054 238 T CA 0.698 62.828 62.100 0.049 0.000 1.135 238 T CB -0.680 68.269 68.868 0.135 0.000 0.869 238 T HN 0.156 nan 8.240 nan 0.000 0.466 239 F N 0.796 120.438 119.950 -0.514 0.000 2.084 239 F HA 0.103 4.632 4.527 0.004 0.000 0.296 239 F C 1.855 177.395 175.800 -0.434 0.000 1.111 239 F CA 0.614 58.241 58.000 -0.622 0.000 1.224 239 F CB -0.622 37.809 39.000 -0.949 0.000 0.991 239 F HN 0.149 nan 8.300 nan 0.000 0.471 240 W N 0.631 121.838 121.300 -0.155 0.000 2.425 240 W HA -0.104 4.558 4.660 0.004 0.000 0.277 240 W C 2.292 178.723 176.519 -0.147 0.000 1.231 240 W CA 0.980 58.223 57.345 -0.171 0.000 1.248 240 W CB -0.589 28.859 29.460 -0.021 0.000 1.117 240 W HN 0.085 nan 8.180 nan 0.000 0.568 241 D N -0.535 119.904 120.400 0.066 0.000 2.084 241 D HA -0.296 4.347 4.640 0.004 0.000 0.194 241 D C 1.886 178.192 176.300 0.011 0.000 0.990 241 D CA 1.517 55.543 54.000 0.043 0.000 0.826 241 D CB -0.592 40.245 40.800 0.061 0.000 0.971 241 D HN 0.187 nan 8.370 nan 0.000 0.453 242 Y N 0.420 120.624 120.300 -0.160 0.000 2.128 242 Y HA -0.212 4.340 4.550 0.004 0.000 0.284 242 Y C 2.285 178.063 175.900 -0.202 0.000 1.154 242 Y CA 1.584 59.580 58.100 -0.174 0.000 1.149 242 Y CB -0.429 37.895 38.460 -0.225 0.000 0.976 242 Y HN -0.102 nan 8.280 nan 0.000 0.505 243 V N 0.090 119.900 119.914 -0.174 0.000 2.287 243 V HA -0.357 3.766 4.120 0.004 0.000 0.248 243 V C 2.626 178.673 176.094 -0.079 0.000 1.053 243 V CA 2.293 64.478 62.300 -0.190 0.000 1.027 243 V CB -1.296 30.304 31.823 -0.372 0.000 0.646 243 V HN 0.667 nan 8.190 nan 0.000 0.447 244 S N -0.171 115.525 115.700 -0.007 0.000 2.442 244 S HA -0.099 4.373 4.470 0.004 0.000 0.236 244 S C 1.682 176.253 174.600 -0.049 0.000 1.007 244 S CA 1.535 59.747 58.200 0.020 0.000 0.965 244 S CB -0.491 62.745 63.200 0.060 0.000 0.773 244 S HN 0.569 nan 8.310 nan 0.000 0.504 245 L N -0.109 121.039 121.223 -0.126 0.000 2.640 245 L HA 0.336 4.678 4.340 0.004 0.000 0.230 245 L C 0.460 177.166 176.870 -0.273 0.000 1.123 245 L CA 0.056 54.795 54.840 -0.168 0.000 0.900 245 L CB 0.060 42.022 42.059 -0.163 0.000 1.146 245 L HN 0.237 nan 8.230 nan 0.000 0.484 246 Q N 0.216 119.813 119.800 -0.338 0.000 3.090 246 Q HA 0.240 4.583 4.340 0.004 0.000 0.241 246 Q C -1.952 173.843 176.000 -0.343 0.000 0.958 246 Q CA -1.523 54.042 55.803 -0.396 0.000 0.715 246 Q CB 1.571 29.971 28.738 -0.563 0.000 1.298 246 Q HN -0.044 nan 8.270 nan 0.000 0.468 247 P HA -0.231 nan 4.420 nan 0.000 0.221 247 P C 1.053 178.055 177.300 -0.497 0.000 1.145 247 P CA 1.227 64.063 63.100 -0.441 0.000 0.795 247 P CB 0.261 31.626 31.700 -0.559 0.000 0.775 248 E N 0.440 120.245 120.200 -0.660 0.000 2.209 248 E HA -0.181 4.171 4.350 0.004 0.000 0.196 248 E C 1.439 178.009 176.600 -0.051 0.000 0.993 248 E CA 1.854 58.117 56.400 -0.229 0.000 0.819 248 E CB -1.311 28.327 29.700 -0.104 0.000 0.745 248 E HN 0.297 nan 8.360 nan 0.000 0.477 249 T N -0.554 113.974 114.554 -0.043 0.000 3.035 249 T HA 0.008 4.360 4.350 0.004 0.000 0.268 249 T C 1.970 176.751 174.700 0.135 0.000 1.109 249 T CA 0.466 62.609 62.100 0.071 0.000 1.119 249 T CB -0.337 68.599 68.868 0.114 0.000 0.900 249 T HN 0.142 nan 8.240 nan 0.000 0.503 250 L N 0.082 121.384 121.223 0.131 0.000 2.083 250 L HA -0.095 4.247 4.340 0.004 0.000 0.209 250 L C 2.853 179.904 176.870 0.301 0.000 1.083 250 L CA 1.851 56.837 54.840 0.243 0.000 0.752 250 L CB -0.788 41.419 42.059 0.247 0.000 0.899 250 L HN 0.475 nan 8.230 nan 0.000 0.433 251 H N 0.020 119.152 119.070 0.103 0.000 2.293 251 H HA -0.210 4.349 4.556 0.004 0.000 0.300 251 H C 2.181 177.524 175.328 0.025 0.000 1.082 251 H CA 1.830 57.935 56.048 0.094 0.000 1.308 251 H CB 0.204 29.983 29.762 0.029 0.000 1.375 251 H HN 0.362 nan 8.280 nan 0.000 0.495 252 N N -0.133 118.418 118.700 -0.248 0.000 2.309 252 N HA -0.127 4.615 4.740 0.004 0.000 0.182 252 N C 1.935 177.307 175.510 -0.231 0.000 1.018 252 N CA 0.728 53.414 53.050 -0.607 0.000 0.876 252 N CB 0.274 37.959 38.487 -1.336 0.000 0.972 252 N HN 0.127 nan 8.380 nan 0.000 0.434 253 V N 1.663 121.658 119.914 0.135 0.000 2.343 253 V HA -0.244 3.878 4.120 0.004 0.000 0.247 253 V C 2.501 178.736 176.094 0.235 0.000 1.051 253 V CA 1.230 63.732 62.300 0.337 0.000 1.036 253 V CB -0.353 31.715 31.823 0.408 0.000 0.654 253 V HN 0.399 nan 8.190 nan 0.000 0.451 254 M N -1.570 118.208 119.600 0.296 0.000 2.108 254 M HA -0.229 4.253 4.480 0.004 0.000 0.261 254 M C 2.091 178.410 176.300 0.033 0.000 1.066 254 M CA 1.987 57.462 55.300 0.293 0.000 1.107 254 M CB -1.164 31.659 32.600 0.371 0.000 1.356 254 M HN 0.476 nan 8.290 nan 0.000 0.406 255 W N 0.427 121.488 121.300 -0.398 0.000 2.358 255 W HA -0.087 4.577 4.660 0.006 0.000 0.303 255 W C 2.808 179.268 176.519 -0.099 0.000 1.208 255 W CA 1.762 58.852 57.345 -0.426 0.000 1.274 255 W CB -1.024 28.104 29.460 -0.553 0.000 1.138 255 W HN 0.284 nan 8.180 nan 0.000 0.515 256 A N -0.595 122.319 122.820 0.157 0.000 1.933 256 A HA -0.183 4.140 4.320 0.004 0.000 0.218 256 A C 1.935 179.581 177.584 0.102 0.000 1.175 256 A CA 1.689 53.819 52.037 0.156 0.000 0.628 256 A CB -0.590 18.533 19.000 0.205 0.000 0.814 256 A HN 0.102 nan 8.150 nan 0.000 0.444 257 M N 0.698 120.312 119.600 0.024 0.000 2.419 257 M HA 0.011 4.493 4.480 0.004 0.000 0.264 257 M C 1.494 177.839 176.300 0.075 0.000 1.082 257 M CA 0.836 56.088 55.300 -0.079 0.000 1.119 257 M CB -1.422 30.869 32.600 -0.514 0.000 1.398 257 M HN 0.551 nan 8.290 nan 0.000 0.453 258 S N 0.329 116.136 115.700 0.178 0.000 2.641 258 S HA 0.081 4.553 4.470 0.004 0.000 0.261 258 S C 0.714 175.450 174.600 0.227 0.000 1.257 258 S CA -0.438 57.909 58.200 0.244 0.000 0.983 258 S CB 0.868 64.264 63.200 0.327 0.000 0.990 258 S HN 0.197 nan 8.310 nan 0.000 0.572 259 D N 0.133 120.686 120.400 0.255 0.000 2.392 259 D HA 0.029 4.671 4.640 0.004 0.000 0.228 259 D C 1.799 178.248 176.300 0.249 0.000 1.003 259 D CA 0.296 54.462 54.000 0.277 0.000 0.917 259 D CB -0.162 40.868 40.800 0.383 0.000 0.890 259 D HN 0.376 nan 8.370 nan 0.000 0.532 260 R N 0.224 120.866 120.500 0.237 0.000 2.152 260 R HA -0.042 4.301 4.340 0.004 0.000 0.232 260 R C 2.030 178.489 176.300 0.265 0.000 1.117 260 R CA 0.939 57.201 56.100 0.269 0.000 0.981 260 R CB -0.702 29.817 30.300 0.365 0.000 0.870 260 R HN 0.182 nan 8.270 nan 0.000 0.451 261 G N 1.122 110.067 108.800 0.241 0.000 2.744 261 G HA2 0.004 3.966 3.960 0.004 0.000 0.211 261 G HA3 0.004 3.966 3.960 0.004 0.000 0.211 261 G C 0.976 176.018 174.900 0.237 0.000 1.143 261 G CA 0.004 45.239 45.100 0.225 0.000 0.788 261 G HN 0.392 nan 8.290 nan 0.000 0.534 262 I N -1.881 118.836 120.570 0.245 0.000 2.925 262 I HA 0.359 4.532 4.170 0.004 0.000 0.296 262 I C -2.829 173.436 176.117 0.248 0.000 1.413 262 I CA -2.639 58.807 61.300 0.244 0.000 0.932 262 I CB 1.680 39.820 38.000 0.234 0.000 1.873 262 I HN -0.267 nan 8.210 nan 0.000 0.619 263 P HA 0.046 nan 4.420 nan 0.000 0.269 263 P C 0.538 177.988 177.300 0.251 0.000 1.209 263 P CA -0.102 63.109 63.100 0.186 0.000 0.776 263 P CB 1.204 32.945 31.700 0.069 0.000 0.876 264 R N 1.867 122.493 120.500 0.211 0.000 2.115 264 R HA 0.029 4.371 4.340 0.004 0.000 0.226 264 R C 0.473 176.936 176.300 0.271 0.000 1.100 264 R CA 1.422 57.695 56.100 0.288 0.000 0.980 264 R CB -0.359 30.075 30.300 0.224 0.000 0.875 264 R HN 0.539 nan 8.270 nan 0.000 0.445 265 S N -2.784 112.878 115.700 -0.063 0.000 2.567 265 S HA 0.231 4.703 4.470 0.004 0.000 0.270 265 S C -0.394 173.906 174.600 -0.499 0.000 1.152 265 S CA -0.864 57.126 58.200 -0.351 0.000 0.835 265 S CB 0.186 63.302 63.200 -0.140 0.000 1.115 265 S HN 0.111 nan 8.310 nan 0.000 0.459 266 Y N 2.003 121.938 120.300 -0.609 0.000 2.403 266 Y HA 0.092 4.645 4.550 0.004 0.000 0.291 266 Y C 2.351 177.898 175.900 -0.588 0.000 1.143 266 Y CA 1.016 58.624 58.100 -0.820 0.000 1.257 266 Y CB -0.274 37.331 38.460 -1.424 0.000 0.984 266 Y HN 0.550 nan 8.280 nan 0.000 0.550 267 R N -0.584 119.787 120.500 -0.215 0.000 2.235 267 R HA -0.027 4.315 4.340 0.004 0.000 0.213 267 R C 1.026 177.288 176.300 -0.063 0.000 1.059 267 R CA 1.462 57.487 56.100 -0.126 0.000 0.997 267 R CB -0.308 29.912 30.300 -0.133 0.000 0.884 267 R HN 0.305 nan 8.270 nan 0.000 0.462 268 T N -1.575 112.957 114.554 -0.038 0.000 3.313 268 T HA 0.370 4.723 4.350 0.004 0.000 0.263 268 T C 0.147 174.889 174.700 0.069 0.000 0.983 268 T CA -0.669 61.438 62.100 0.012 0.000 0.963 268 T CB -0.124 68.737 68.868 -0.012 0.000 1.141 268 T HN 0.070 nan 8.240 nan 0.000 0.526 269 M N -1.271 118.413 119.600 0.141 0.000 2.593 269 M HA 0.738 5.220 4.480 0.004 0.000 0.290 269 M C -1.265 175.220 176.300 0.307 0.000 1.244 269 M CA -0.905 54.519 55.300 0.206 0.000 0.857 269 M CB 2.146 34.859 32.600 0.187 0.000 1.738 269 M HN -0.137 nan 8.290 nan 0.000 0.461 270 E N 0.255 120.636 120.200 0.302 0.000 2.314 270 E HA 0.689 5.042 4.350 0.004 0.000 0.262 270 E C -0.380 176.322 176.600 0.169 0.000 1.093 270 E CA -0.651 55.868 56.400 0.198 0.000 0.908 270 E CB 1.789 31.531 29.700 0.070 0.000 1.091 270 E HN 0.857 nan 8.360 nan 0.000 0.425 271 G N 0.801 109.520 108.800 -0.134 0.000 2.591 271 G HA2 0.620 4.583 3.960 0.004 0.000 0.306 271 G HA3 0.620 4.583 3.960 0.004 0.000 0.306 271 G C -1.495 173.025 174.900 -0.633 0.000 1.334 271 G CA -0.461 44.525 45.100 -0.190 0.000 0.981 271 G HN 0.279 nan 8.290 nan 0.000 0.491 272 F N -0.021 119.857 119.950 -0.120 0.000 2.591 272 F HA 0.510 5.040 4.527 0.004 0.000 0.309 272 F C 1.105 176.801 175.800 -0.175 0.000 1.098 272 F CA -0.574 57.282 58.000 -0.240 0.000 0.937 272 F CB 2.670 41.482 39.000 -0.313 0.000 1.250 272 F HN 0.593 nan 8.300 nan 0.000 0.447 273 G N 0.934 109.772 108.800 0.065 0.000 2.712 273 G HA2 0.126 4.088 3.960 0.004 0.000 0.212 273 G HA3 0.126 4.088 3.960 0.004 0.000 0.212 273 G C 1.207 176.150 174.900 0.072 0.000 1.142 273 G CA 0.797 45.988 45.100 0.151 0.000 0.789 273 G HN 0.807 nan 8.290 nan 0.000 0.535 274 I N -1.003 119.536 120.570 -0.050 0.000 4.624 274 I HA -0.328 3.845 4.170 0.004 0.000 0.049 274 I C 0.572 176.554 176.117 -0.225 0.000 0.621 274 I CA 1.590 62.740 61.300 -0.249 0.000 0.836 274 I CB -1.217 36.530 38.000 -0.423 0.000 0.765 274 I HN 0.272 nan 8.210 nan 0.000 0.159 275 H N 2.182 121.248 119.070 -0.008 0.000 2.690 275 H HA 0.235 4.794 4.556 0.004 0.000 0.365 275 H C 0.098 175.349 175.328 -0.128 0.000 1.142 275 H CA 0.505 56.456 56.048 -0.162 0.000 1.417 275 H CB 0.272 29.766 29.762 -0.447 0.000 1.446 275 H HN 0.193 nan 8.280 nan 0.000 0.599 276 T N 3.705 118.218 114.554 -0.069 0.000 2.794 276 T HA 0.246 4.598 4.350 0.004 0.000 0.296 276 T C 0.232 174.858 174.700 -0.123 0.000 0.949 276 T CA -0.005 62.048 62.100 -0.078 0.000 1.101 276 T CB -0.156 68.616 68.868 -0.159 0.000 0.905 276 T HN 0.243 nan 8.240 nan 0.000 0.516 277 F N 1.361 121.277 119.950 -0.056 0.000 2.629 277 F HA 0.667 5.196 4.527 0.004 0.000 0.386 277 F C 1.000 176.768 175.800 -0.054 0.000 1.135 277 F CA -1.346 56.645 58.000 -0.015 0.000 1.116 277 F CB 1.373 40.360 39.000 -0.021 0.000 1.426 277 F HN 0.175 nan 8.300 nan 0.000 0.501 278 R N 0.642 121.214 120.500 0.121 0.000 2.686 278 R HA 0.611 4.954 4.340 0.004 0.000 0.286 278 R C -1.673 174.521 176.300 -0.177 0.000 0.969 278 R CA -0.836 55.202 56.100 -0.104 0.000 0.898 278 R CB 2.006 32.183 30.300 -0.205 0.000 1.183 278 R HN 0.430 nan 8.270 nan 0.000 0.456 279 L N 3.945 125.011 121.223 -0.262 0.000 2.309 279 L HA 0.518 4.861 4.340 0.004 0.000 0.282 279 L C -0.373 176.344 176.870 -0.255 0.000 1.036 279 L CA -0.853 53.837 54.840 -0.250 0.000 0.806 279 L CB 1.199 43.107 42.059 -0.251 0.000 1.220 279 L HN 0.372 nan 8.230 nan 0.000 0.429 280 I N 2.898 123.340 120.570 -0.212 0.000 2.406 280 I HA 0.288 4.461 4.170 0.004 0.000 0.290 280 I C -0.197 175.835 176.117 -0.142 0.000 0.999 280 I CA -0.652 60.530 61.300 -0.198 0.000 1.124 280 I CB 1.397 39.289 38.000 -0.180 0.000 1.289 280 I HN 0.632 nan 8.210 nan 0.000 0.441 281 N N 4.906 123.534 118.700 -0.120 0.000 2.538 281 N HA 0.398 5.141 4.740 0.004 0.000 0.292 281 N C 0.796 176.265 175.510 -0.067 0.000 1.262 281 N CA -0.379 52.620 53.050 -0.085 0.000 0.976 281 N CB 0.581 39.025 38.487 -0.072 0.000 1.161 281 N HN 0.515 nan 8.380 nan 0.000 0.598 282 A N -0.646 122.144 122.820 -0.051 0.000 2.019 282 A HA -0.189 4.133 4.320 0.004 0.000 0.219 282 A C 1.724 179.288 177.584 -0.034 0.000 1.164 282 A CA 1.690 53.703 52.037 -0.040 0.000 0.644 282 A CB -1.078 17.904 19.000 -0.029 0.000 0.805 282 A HN 0.892 nan 8.150 nan 0.000 0.449 283 E N -1.772 118.409 120.200 -0.032 0.000 2.358 283 E HA 0.272 4.625 4.350 0.004 0.000 0.195 283 E C 1.119 177.707 176.600 -0.019 0.000 1.010 283 E CA 0.677 57.063 56.400 -0.024 0.000 0.856 283 E CB -0.335 29.352 29.700 -0.022 0.000 0.795 283 E HN 0.795 nan 8.360 nan 0.000 0.504 284 G N 1.566 110.351 108.800 -0.024 0.000 2.159 284 G HA2 -0.327 3.635 3.960 0.004 0.000 0.227 284 G HA3 -0.327 3.635 3.960 0.004 0.000 0.227 284 G C 0.073 174.989 174.900 0.027 0.000 0.986 284 G CA 0.102 45.205 45.100 0.006 0.000 0.651 284 G HN 0.358 nan 8.290 nan 0.000 0.523 285 K N 0.853 121.232 120.400 -0.035 0.000 2.298 285 K HA 0.669 4.992 4.320 0.004 0.000 0.280 285 K C 0.477 176.949 176.600 -0.213 0.000 1.032 285 K CA 0.205 56.446 56.287 -0.078 0.000 0.958 285 K CB 0.666 33.121 32.500 -0.076 0.000 0.978 285 K HN 0.610 nan 8.250 nan 0.000 0.472 286 A N 3.366 125.953 122.820 -0.389 0.000 2.305 286 A HA 0.430 4.752 4.320 0.004 0.000 0.322 286 A C -0.822 176.440 177.584 -0.537 0.000 1.187 286 A CA -0.576 51.074 52.037 -0.646 0.000 0.825 286 A CB 1.193 19.391 19.000 -1.336 0.000 1.164 286 A HN 0.734 nan 8.150 nan 0.000 0.498 287 T N 2.424 116.700 114.554 -0.463 0.000 2.824 287 T HA 0.527 4.880 4.350 0.004 0.000 0.282 287 T C -0.616 173.859 174.700 -0.376 0.000 0.993 287 T CA -0.096 61.780 62.100 -0.372 0.000 0.967 287 T CB 0.403 69.148 68.868 -0.204 0.000 0.960 287 T HN 0.336 nan 8.240 nan 0.000 0.441 288 F N 2.208 122.060 119.950 -0.163 0.000 2.471 288 F HA 0.494 5.024 4.527 0.004 0.000 0.353 288 F C 0.589 176.270 175.800 -0.199 0.000 1.113 288 F CA -0.399 57.502 58.000 -0.166 0.000 1.262 288 F CB 0.593 39.517 39.000 -0.127 0.000 1.146 288 F HN 0.197 nan 8.300 nan 0.000 0.578 289 V N 4.776 124.649 119.914 -0.068 0.000 2.925 289 V HA 0.615 4.737 4.120 0.004 0.000 0.311 289 V C -1.010 174.869 176.094 -0.358 0.000 1.104 289 V CA -0.810 61.304 62.300 -0.309 0.000 0.954 289 V CB 2.190 33.604 31.823 -0.682 0.000 1.022 289 V HN 0.764 nan 8.190 nan 0.000 0.427 290 R N 4.650 124.978 120.500 -0.286 0.000 2.534 290 R HA 0.557 4.899 4.340 0.004 0.000 0.301 290 R C -1.675 174.539 176.300 -0.143 0.000 0.961 290 R CA -0.413 55.573 56.100 -0.189 0.000 0.871 290 R CB 2.015 32.314 30.300 -0.001 0.000 1.170 290 R HN 0.598 nan 8.270 nan 0.000 0.446 291 F N 2.103 122.082 119.950 0.049 0.000 2.399 291 F HA 0.403 4.932 4.527 0.004 0.000 0.334 291 F C 0.959 176.667 175.800 -0.152 0.000 1.097 291 F CA -0.166 57.828 58.000 -0.011 0.000 1.076 291 F CB 0.990 39.877 39.000 -0.188 0.000 1.162 291 F HN 0.216 nan 8.300 nan 0.000 0.495 292 H N 0.661 119.704 119.070 -0.045 0.000 2.851 292 H HA 0.257 4.815 4.556 0.004 0.000 0.372 292 H C -1.649 173.428 175.328 -0.418 0.000 1.158 292 H CA -1.044 54.860 56.048 -0.240 0.000 1.159 292 H CB 2.104 31.816 29.762 -0.085 0.000 1.757 292 H HN 0.683 nan 8.280 nan 0.000 0.546 293 W N 2.202 123.381 121.300 -0.201 0.000 2.619 293 W HA 0.324 4.987 4.660 0.004 0.000 0.327 293 W C -0.201 176.332 176.519 0.024 0.000 1.027 293 W CA -0.734 56.538 57.345 -0.122 0.000 1.233 293 W CB 1.821 31.027 29.460 -0.425 0.000 1.370 293 W HN 0.244 nan 8.180 nan 0.000 0.453 294 K N 5.765 126.418 120.400 0.422 0.000 2.265 294 K HA 0.390 4.713 4.320 0.004 0.000 0.267 294 K C -2.396 174.426 176.600 0.369 0.000 0.994 294 K CA -1.938 54.539 56.287 0.317 0.000 0.860 294 K CB 1.469 34.103 32.500 0.224 0.000 1.099 294 K HN 0.036 nan 8.250 nan 0.000 0.448 295 P HA 0.025 nan 4.420 nan 0.000 0.271 295 P C 0.254 177.577 177.300 0.039 0.000 1.233 295 P CA 0.025 63.211 63.100 0.143 0.000 0.764 295 P CB 0.716 32.503 31.700 0.145 0.000 0.825 296 L N 2.558 123.746 121.223 -0.057 0.000 2.552 296 L HA -0.003 4.339 4.340 0.004 0.000 0.227 296 L C 2.138 178.993 176.870 -0.026 0.000 1.146 296 L CA 0.804 55.639 54.840 -0.007 0.000 0.858 296 L CB -0.493 41.571 42.059 0.008 0.000 0.969 296 L HN 0.345 nan 8.230 nan 0.000 0.451 297 A N 0.036 122.816 122.820 -0.066 0.000 2.251 297 A HA 0.442 4.764 4.320 0.004 0.000 0.209 297 A C 1.245 178.827 177.584 -0.002 0.000 1.187 297 A CA 0.610 52.623 52.037 -0.041 0.000 0.823 297 A CB -0.304 18.655 19.000 -0.070 0.000 0.846 297 A HN 0.430 nan 8.150 nan 0.000 0.486 298 G N -0.557 108.255 108.800 0.021 0.000 2.756 298 G HA2 -0.131 3.831 3.960 0.004 0.000 0.678 298 G HA3 -0.131 3.831 3.960 0.004 0.000 0.678 298 G C -0.644 174.284 174.900 0.045 0.000 1.349 298 G CA -0.429 44.700 45.100 0.048 0.000 0.847 298 G HN 0.469 nan 8.290 nan 0.000 0.548 299 K N 0.085 120.514 120.400 0.048 0.000 2.172 299 K HA 0.734 5.057 4.320 0.004 0.000 0.276 299 K C 0.242 176.825 176.600 -0.029 0.000 1.013 299 K CA 0.216 56.514 56.287 0.018 0.000 0.913 299 K CB 1.774 34.272 32.500 -0.003 0.000 1.055 299 K HN 1.526 nan 8.250 nan 0.000 0.461 300 A N 1.601 124.395 122.820 -0.043 0.000 2.555 300 A HA 0.570 4.893 4.320 0.004 0.000 0.297 300 A C -1.181 176.441 177.584 0.063 0.000 1.060 300 A CA -0.680 51.289 52.037 -0.113 0.000 0.710 300 A CB 1.677 20.435 19.000 -0.403 0.000 1.282 300 A HN 0.504 nan 8.150 nan 0.000 0.399 301 S N 0.532 116.418 115.700 0.310 0.000 2.632 301 S HA 0.770 5.242 4.470 0.004 0.000 0.289 301 S C -0.097 174.800 174.600 0.494 0.000 1.115 301 S CA -0.603 57.823 58.200 0.376 0.000 0.889 301 S CB 1.227 64.644 63.200 0.362 0.000 1.116 301 S HN 0.652 nan 8.310 nan 0.000 0.486 302 L N 1.249 122.661 121.223 0.315 0.000 2.543 302 L HA 0.570 4.913 4.340 0.004 0.000 0.231 302 L C -0.087 176.882 176.870 0.164 0.000 1.194 302 L CA -0.784 54.166 54.840 0.184 0.000 0.823 302 L CB 0.235 42.318 42.059 0.040 0.000 1.374 302 L HN 0.488 nan 8.230 nan 0.000 0.507 303 V N -3.243 116.667 119.914 -0.006 0.000 2.769 303 V HA 0.182 4.304 4.120 0.004 0.000 0.312 303 V C 0.680 176.711 176.094 -0.105 0.000 1.058 303 V CA -0.844 61.422 62.300 -0.057 0.000 0.952 303 V CB 1.607 33.370 31.823 -0.100 0.000 1.019 303 V HN 0.934 nan 8.190 nan 0.000 0.445 304 W N 2.136 123.301 121.300 -0.224 0.000 2.317 304 W HA -0.259 4.403 4.660 0.004 0.000 0.318 304 W C 1.777 178.140 176.519 -0.260 0.000 1.227 304 W CA 2.709 59.919 57.345 -0.226 0.000 1.269 304 W CB -0.121 29.194 29.460 -0.241 0.000 1.155 304 W HN 1.005 nan 8.180 nan 0.000 0.484 305 D N 0.114 120.270 120.400 -0.407 0.000 2.123 305 D HA -0.292 4.351 4.640 0.004 0.000 0.196 305 D C 2.157 178.099 176.300 -0.596 0.000 0.992 305 D CA 2.245 55.959 54.000 -0.477 0.000 0.833 305 D CB -0.527 40.237 40.800 -0.059 0.000 0.954 305 D HN 0.388 nan 8.370 nan 0.000 0.455 306 E N -0.400 119.305 120.200 -0.825 0.000 2.051 306 E HA -0.217 4.136 4.350 0.004 0.000 0.192 306 E C 2.033 178.289 176.600 -0.573 0.000 0.991 306 E CA 1.123 56.999 56.400 -0.872 0.000 0.799 306 E CB -0.245 28.865 29.700 -0.984 0.000 0.748 306 E HN 0.307 nan 8.360 nan 0.000 0.449 307 A N 1.129 123.635 122.820 -0.524 0.000 1.883 307 A HA -0.270 4.053 4.320 0.004 0.000 0.217 307 A C 2.185 179.433 177.584 -0.560 0.000 1.186 307 A CA 1.860 53.627 52.037 -0.451 0.000 0.624 307 A CB -0.726 18.105 19.000 -0.283 0.000 0.822 307 A HN 0.452 nan 8.150 nan 0.000 0.444 308 Q N -0.587 118.684 119.800 -0.881 0.000 2.079 308 Q HA -0.182 4.160 4.340 0.004 0.000 0.200 308 Q C 2.178 177.898 176.000 -0.466 0.000 0.974 308 Q CA 1.788 57.096 55.803 -0.826 0.000 0.840 308 Q CB -0.141 27.847 28.738 -1.251 0.000 0.898 308 Q HN 0.673 nan 8.270 nan 0.000 0.430 309 K N 0.026 120.175 120.400 -0.418 0.000 2.148 309 K HA -0.146 4.176 4.320 0.004 0.000 0.204 309 K C 2.012 178.466 176.600 -0.243 0.000 1.050 309 K CA 0.640 56.773 56.287 -0.257 0.000 0.942 309 K CB -0.011 32.384 32.500 -0.176 0.000 0.724 309 K HN 0.168 nan 8.250 nan 0.000 0.446 310 L N 1.354 122.387 121.223 -0.317 0.000 2.201 310 L HA -0.119 4.223 4.340 0.004 0.000 0.212 310 L C 2.157 178.882 176.870 -0.241 0.000 1.105 310 L CA 2.025 56.672 54.840 -0.320 0.000 0.775 310 L CB -0.827 40.944 42.059 -0.479 0.000 0.913 310 L HN 0.319 nan 8.230 nan 0.000 0.440 311 T N -4.519 109.897 114.554 -0.229 0.000 2.881 311 T HA -0.063 4.289 4.350 0.004 0.000 0.270 311 T C 1.811 176.443 174.700 -0.114 0.000 1.068 311 T CA 0.988 62.996 62.100 -0.153 0.000 1.131 311 T CB -0.828 67.960 68.868 -0.135 0.000 0.871 311 T HN 0.373 nan 8.240 nan 0.000 0.479 312 G N 0.955 109.683 108.800 -0.120 0.000 2.490 312 G HA2 0.033 3.995 3.960 0.004 0.000 0.211 312 G HA3 0.033 3.995 3.960 0.004 0.000 0.211 312 G C 1.895 176.751 174.900 -0.074 0.000 1.159 312 G CA -0.332 44.716 45.100 -0.086 0.000 0.819 312 G HN 0.287 nan 8.290 nan 0.000 0.539 313 R N 0.298 120.744 120.500 -0.089 0.000 2.115 313 R HA 0.039 4.381 4.340 0.004 0.000 0.226 313 R C -0.171 176.102 176.300 -0.045 0.000 1.100 313 R CA 0.866 56.927 56.100 -0.065 0.000 0.980 313 R CB -0.182 30.073 30.300 -0.076 0.000 0.875 313 R HN 0.343 nan 8.270 nan 0.000 0.445 314 D N -0.646 119.720 120.400 -0.056 0.000 2.445 314 D HA 0.134 4.777 4.640 0.004 0.000 0.236 314 D C -2.126 174.171 176.300 -0.004 0.000 1.315 314 D CA -1.648 52.350 54.000 -0.003 0.000 0.924 314 D CB 1.297 42.142 40.800 0.074 0.000 1.447 314 D HN -0.148 nan 8.370 nan 0.000 0.532 315 P HA -0.005 nan 4.420 nan 0.000 0.225 315 P C 0.082 177.386 177.300 0.007 0.000 1.148 315 P CA 0.689 63.775 63.100 -0.023 0.000 0.779 315 P CB 0.489 32.172 31.700 -0.028 0.000 0.780 316 D N -1.496 118.919 120.400 0.026 0.000 2.388 316 D HA 0.075 4.717 4.640 0.004 0.000 0.221 316 D C 1.243 177.583 176.300 0.066 0.000 1.133 316 D CA -0.440 53.582 54.000 0.037 0.000 0.831 316 D CB -0.562 40.238 40.800 -0.001 0.000 0.962 316 D HN 0.117 nan 8.370 nan 0.000 0.502 317 F N 1.340 121.233 119.950 -0.095 0.000 2.091 317 F HA -0.264 4.265 4.527 0.004 0.000 0.299 317 F C 2.086 177.858 175.800 -0.048 0.000 1.103 317 F CA 1.914 59.852 58.000 -0.104 0.000 1.228 317 F CB 0.051 38.932 39.000 -0.197 0.000 0.984 317 F HN 0.114 nan 8.300 nan 0.000 0.477 318 H N -1.216 117.778 119.070 -0.128 0.000 2.363 318 H HA -0.089 4.470 4.556 0.004 0.000 0.301 318 H C 2.396 177.626 175.328 -0.163 0.000 1.074 318 H CA 0.940 56.772 56.048 -0.361 0.000 1.354 318 H CB -0.122 29.265 29.762 -0.624 0.000 1.397 318 H HN 0.173 nan 8.280 nan 0.000 0.516 319 R N 1.189 121.790 120.500 0.167 0.000 2.081 319 R HA -0.141 4.201 4.340 0.004 0.000 0.235 319 R C 2.439 178.845 176.300 0.178 0.000 1.131 319 R CA 1.372 57.618 56.100 0.243 0.000 0.960 319 R CB -0.036 30.392 30.300 0.215 0.000 0.856 319 R HN 0.202 nan 8.270 nan 0.000 0.436 320 R N 0.345 120.874 120.500 0.048 0.000 2.073 320 R HA -0.196 4.147 4.340 0.004 0.000 0.234 320 R C 2.171 178.479 176.300 0.013 0.000 1.134 320 R CA 2.034 58.145 56.100 0.020 0.000 0.952 320 R CB -0.192 30.080 30.300 -0.047 0.000 0.850 320 R HN 0.247 nan 8.270 nan 0.000 0.433 321 E N 0.643 120.747 120.200 -0.161 0.000 2.077 321 E HA -0.216 4.137 4.350 0.004 0.000 0.193 321 E C 1.875 178.455 176.600 -0.032 0.000 0.989 321 E CA 1.354 57.635 56.400 -0.199 0.000 0.800 321 E CB -0.417 29.001 29.700 -0.470 0.000 0.746 321 E HN 0.326 nan 8.360 nan 0.000 0.452 322 L N 0.113 121.360 121.223 0.040 0.000 2.017 322 L HA -0.081 4.262 4.340 0.004 0.000 0.208 322 L C 2.236 179.210 176.870 0.172 0.000 1.073 322 L CA 2.079 56.988 54.840 0.115 0.000 0.745 322 L CB -0.941 41.249 42.059 0.218 0.000 0.894 322 L HN 0.422 nan 8.230 nan 0.000 0.432 323 W N 0.914 122.253 121.300 0.064 0.000 2.335 323 W HA -0.216 4.446 4.660 0.004 0.000 0.311 323 W C 2.202 178.754 176.519 0.055 0.000 1.213 323 W CA 2.185 59.577 57.345 0.079 0.000 1.274 323 W CB -0.136 29.373 29.460 0.083 0.000 1.148 323 W HN 0.349 nan 8.180 nan 0.000 0.498 324 E N -0.162 120.220 120.200 0.304 0.000 2.208 324 E HA -0.104 4.249 4.350 0.004 0.000 0.193 324 E C 2.321 178.962 176.600 0.067 0.000 0.988 324 E CA 0.911 57.413 56.400 0.170 0.000 0.828 324 E CB -0.264 29.491 29.700 0.092 0.000 0.763 324 E HN 0.182 nan 8.360 nan 0.000 0.478 325 A N 1.137 123.993 122.820 0.060 0.000 1.898 325 A HA -0.146 4.176 4.320 0.004 0.000 0.216 325 A C 2.125 179.746 177.584 0.062 0.000 1.181 325 A CA 0.926 52.991 52.037 0.048 0.000 0.620 325 A CB -0.434 18.591 19.000 0.042 0.000 0.819 325 A HN 0.128 nan 8.150 nan 0.000 0.442 326 I N -0.459 120.162 120.570 0.086 0.000 2.252 326 I HA -0.219 3.954 4.170 0.004 0.000 0.245 326 I C 2.397 178.593 176.117 0.133 0.000 1.102 326 I CA 1.309 62.710 61.300 0.169 0.000 1.385 326 I CB -0.362 37.657 38.000 0.030 0.000 1.064 326 I HN 0.408 nan 8.210 nan 0.000 0.414 327 E N 0.795 121.018 120.200 0.039 0.000 2.204 327 E HA -0.163 4.190 4.350 0.004 0.000 0.194 327 E C 2.095 178.720 176.600 0.041 0.000 0.989 327 E CA 1.143 57.576 56.400 0.055 0.000 0.824 327 E CB -0.049 29.713 29.700 0.102 0.000 0.756 327 E HN 0.497 nan 8.360 nan 0.000 0.477 328 A N 0.021 122.843 122.820 0.004 0.000 2.218 328 A HA 0.252 4.574 4.320 0.004 0.000 0.209 328 A C 1.710 179.242 177.584 -0.087 0.000 1.168 328 A CA 0.866 52.884 52.037 -0.031 0.000 0.804 328 A CB 0.032 19.002 19.000 -0.050 0.000 0.834 328 A HN 0.315 nan 8.150 nan 0.000 0.482 329 G N -0.399 108.278 108.800 -0.205 0.000 2.141 329 G HA2 -0.184 3.778 3.960 0.004 0.000 0.242 329 G HA3 -0.184 3.778 3.960 0.004 0.000 0.242 329 G C -0.255 174.173 174.900 -0.787 0.000 0.982 329 G CA 0.213 44.907 45.100 -0.677 0.000 0.662 329 G HN 0.421 nan 8.290 nan 0.000 0.527 330 D N 0.967 121.158 120.400 -0.348 0.000 3.057 330 D HA 0.271 4.913 4.640 0.004 0.000 0.246 330 D C 0.828 177.077 176.300 -0.085 0.000 1.238 330 D CA -0.224 53.664 54.000 -0.187 0.000 0.949 330 D CB -0.682 40.108 40.800 -0.017 0.000 1.086 330 D HN 0.455 nan 8.370 nan 0.000 0.487 331 F N 1.425 121.373 119.950 -0.002 0.000 2.602 331 F HA 0.068 4.598 4.527 0.004 0.000 0.385 331 F C -1.372 174.390 175.800 -0.062 0.000 1.063 331 F CA -1.905 56.084 58.000 -0.019 0.000 1.233 331 F CB -0.128 38.871 39.000 -0.001 0.000 1.067 331 F HN -0.094 nan 8.300 nan 0.000 0.564 332 P HA 0.014 nan 4.420 nan 0.000 0.262 332 P C -1.032 176.184 177.300 -0.141 0.000 1.199 332 P CA 0.403 63.466 63.100 -0.061 0.000 0.763 332 P CB 0.403 32.145 31.700 0.070 0.000 0.790 333 E N 2.692 122.676 120.200 -0.360 0.000 2.248 333 E HA 0.443 4.796 4.350 0.004 0.000 0.267 333 E C -1.007 175.309 176.600 -0.474 0.000 0.877 333 E CA -0.605 55.648 56.400 -0.246 0.000 0.759 333 E CB 1.510 31.172 29.700 -0.064 0.000 1.182 333 E HN 0.384 nan 8.360 nan 0.000 0.418 334 Y N 0.258 120.624 120.300 0.111 0.000 2.477 334 Y HA 0.263 4.815 4.550 0.004 0.000 0.347 334 Y C -0.159 175.955 175.900 0.356 0.000 0.981 334 Y CA -1.017 57.219 58.100 0.227 0.000 1.033 334 Y CB 1.955 40.537 38.460 0.204 0.000 1.245 334 Y HN 0.463 nan 8.280 nan 0.000 0.455 335 E N 2.508 123.014 120.200 0.511 0.000 2.174 335 E HA 0.390 4.743 4.350 0.004 0.000 0.282 335 E C -1.466 175.384 176.600 0.416 0.000 0.992 335 E CA -0.937 55.703 56.400 0.399 0.000 0.803 335 E CB 1.018 30.890 29.700 0.286 0.000 1.090 335 E HN 0.579 nan 8.360 nan 0.000 0.396 336 L N 4.284 125.668 121.223 0.268 0.000 2.367 336 L HA 0.527 4.869 4.340 0.004 0.000 0.275 336 L C -0.125 176.645 176.870 -0.167 0.000 1.129 336 L CA 0.493 55.230 54.840 -0.172 0.000 0.839 336 L CB 1.073 42.988 42.059 -0.240 0.000 1.133 336 L HN 0.558 nan 8.230 nan 0.000 0.453 337 G N 4.528 113.256 108.800 -0.120 0.000 2.620 337 G HA2 0.568 4.530 3.960 0.004 0.000 0.301 337 G HA3 0.568 4.530 3.960 0.004 0.000 0.301 337 G C -1.599 173.424 174.900 0.205 0.000 1.347 337 G CA -0.511 44.560 45.100 -0.049 0.000 0.971 337 G HN 0.470 nan 8.290 nan 0.000 0.488 338 F N 0.299 120.247 119.950 -0.004 0.000 2.507 338 F HA 0.384 4.913 4.527 0.004 0.000 0.325 338 F C 0.354 176.134 175.800 -0.032 0.000 1.116 338 F CA -0.983 57.014 58.000 -0.004 0.000 0.930 338 F CB 2.567 41.551 39.000 -0.027 0.000 1.146 338 F HN 0.132 nan 8.300 nan 0.000 0.447 339 Q N 4.515 124.414 119.800 0.165 0.000 2.331 339 Q HA 0.478 4.820 4.340 0.004 0.000 0.257 339 Q C -1.077 174.955 176.000 0.054 0.000 0.957 339 Q CA -0.454 55.400 55.803 0.085 0.000 0.923 339 Q CB 2.008 30.804 28.738 0.097 0.000 1.212 339 Q HN 0.545 nan 8.270 nan 0.000 0.443 340 L N 4.300 125.563 121.223 0.066 0.000 2.313 340 L HA 0.562 4.905 4.340 0.004 0.000 0.283 340 L C -0.784 176.132 176.870 0.076 0.000 1.013 340 L CA -0.744 54.124 54.840 0.047 0.000 0.816 340 L CB 1.131 43.222 42.059 0.054 0.000 1.236 340 L HN 0.498 nan 8.230 nan 0.000 0.419 341 I N 4.748 125.378 120.570 0.100 0.000 2.447 341 I HA 0.409 4.581 4.170 0.004 0.000 0.287 341 I C -2.260 173.955 176.117 0.163 0.000 1.023 341 I CA -1.895 59.506 61.300 0.168 0.000 1.083 341 I CB 1.823 39.951 38.000 0.213 0.000 1.245 341 I HN 0.314 nan 8.210 nan 0.000 0.434 342 P HA 0.030 nan 4.420 nan 0.000 0.267 342 P C 0.689 178.033 177.300 0.074 0.000 1.200 342 P CA -0.115 63.004 63.100 0.033 0.000 0.772 342 P CB 0.831 32.547 31.700 0.027 0.000 0.855 343 E N 1.542 121.687 120.200 -0.091 0.000 2.118 343 E HA -0.267 4.086 4.350 0.004 0.000 0.195 343 E C 0.819 177.489 176.600 0.117 0.000 0.992 343 E CA 1.471 57.819 56.400 -0.087 0.000 0.804 343 E CB -0.029 29.537 29.700 -0.225 0.000 0.741 343 E HN 0.426 nan 8.360 nan 0.000 0.458 344 E N 0.547 120.789 120.200 0.071 0.000 2.478 344 E HA -0.101 4.251 4.350 0.004 0.000 0.198 344 E C 0.561 177.212 176.600 0.085 0.000 1.046 344 E CA 0.858 57.309 56.400 0.085 0.000 0.870 344 E CB 0.093 29.826 29.700 0.055 0.000 0.818 344 E HN 0.260 nan 8.360 nan 0.000 0.527 345 D N 0.227 120.682 120.400 0.091 0.000 2.342 345 D HA -0.015 4.627 4.640 0.004 0.000 0.221 345 D C 1.234 177.556 176.300 0.037 0.000 1.101 345 D CA 0.063 54.095 54.000 0.054 0.000 0.837 345 D CB 0.055 40.904 40.800 0.081 0.000 0.938 345 D HN 0.302 nan 8.370 nan 0.000 0.508 346 E N -0.067 120.114 120.200 -0.033 0.000 2.114 346 E HA -0.202 4.150 4.350 0.004 0.000 0.199 346 E C 0.346 176.609 176.600 -0.561 0.000 1.008 346 E CA 1.138 57.302 56.400 -0.393 0.000 0.810 346 E CB 0.004 29.307 29.700 -0.662 0.000 0.739 346 E HN 0.260 nan 8.360 nan 0.000 0.456 347 F N -0.334 119.620 119.950 0.007 0.000 2.750 347 F HA 0.292 4.821 4.527 0.004 0.000 0.297 347 F C 1.170 176.901 175.800 -0.115 0.000 1.138 347 F CA -0.278 57.699 58.000 -0.038 0.000 1.346 347 F CB 0.594 39.580 39.000 -0.023 0.000 0.965 347 F HN -0.179 nan 8.300 nan 0.000 0.514 348 K N -0.108 120.208 120.400 -0.140 0.000 2.404 348 K HA 0.156 4.479 4.320 0.004 0.000 0.194 348 K C -0.147 176.033 176.600 -0.700 0.000 1.023 348 K CA 0.206 56.248 56.287 -0.407 0.000 1.094 348 K CB 0.284 32.475 32.500 -0.515 0.000 0.841 348 K HN 0.145 nan 8.250 nan 0.000 0.523 349 F N 0.485 120.280 119.950 -0.258 0.000 2.461 349 F HA 0.110 4.639 4.527 0.003 0.000 0.332 349 F C 1.098 176.711 175.800 -0.312 0.000 1.073 349 F CA -1.132 56.622 58.000 -0.410 0.000 1.017 349 F CB 0.661 39.020 39.000 -1.068 0.000 1.301 349 F HN -0.020 nan 8.300 nan 0.000 0.492 350 D N -0.716 119.689 120.400 0.008 0.000 2.358 350 D HA 0.110 4.752 4.640 0.004 0.000 0.224 350 D C -0.571 175.829 176.300 0.167 0.000 1.123 350 D CA 0.029 54.083 54.000 0.090 0.000 0.833 350 D CB -0.813 40.069 40.800 0.136 0.000 0.946 350 D HN 0.234 nan 8.370 nan 0.000 0.505 351 F N -1.716 118.319 119.950 0.142 0.000 2.611 351 F HA 0.562 5.091 4.527 0.004 0.000 0.324 351 F C -0.327 175.474 175.800 0.000 0.000 1.061 351 F CA -1.701 56.309 58.000 0.016 0.000 0.954 351 F CB 1.039 40.002 39.000 -0.061 0.000 1.301 351 F HN -0.337 nan 8.300 nan 0.000 0.482 352 D N 1.711 122.141 120.400 0.050 0.000 2.264 352 D HA 0.214 4.857 4.640 0.004 0.000 0.250 352 D C 0.935 177.196 176.300 -0.064 0.000 1.113 352 D CA -0.067 53.910 54.000 -0.039 0.000 0.871 352 D CB 1.543 42.333 40.800 -0.016 0.000 1.167 352 D HN 0.754 nan 8.370 nan 0.000 0.447 353 L N 3.391 124.514 121.223 -0.167 0.000 2.275 353 L HA -0.113 4.229 4.340 0.004 0.000 0.215 353 L C 1.999 178.747 176.870 -0.203 0.000 1.119 353 L CA 0.650 55.365 54.840 -0.208 0.000 0.790 353 L CB -0.074 41.727 42.059 -0.429 0.000 0.919 353 L HN 0.443 nan 8.230 nan 0.000 0.443 354 L N -0.969 120.157 121.223 -0.162 0.000 2.599 354 L HA 0.039 4.381 4.340 0.004 0.000 0.230 354 L C 0.462 177.267 176.870 -0.108 0.000 1.141 354 L CA -0.084 54.720 54.840 -0.060 0.000 0.877 354 L CB -0.323 41.806 42.059 0.117 0.000 1.009 354 L HN 0.109 nan 8.230 nan 0.000 0.447 355 D N 1.885 121.998 120.400 -0.478 0.000 2.347 355 D HA 0.114 4.757 4.640 0.004 0.000 0.235 355 D C -1.593 174.487 176.300 -0.367 0.000 1.149 355 D CA -2.318 51.158 54.000 -0.873 0.000 0.850 355 D CB 1.572 41.592 40.800 -1.299 0.000 1.061 355 D HN -0.072 nan 8.370 nan 0.000 0.487 356 P HA -0.030 nan 4.420 nan 0.000 0.242 356 P C 0.740 177.946 177.300 -0.158 0.000 1.197 356 P CA 0.548 63.578 63.100 -0.118 0.000 0.765 356 P CB -0.049 31.663 31.700 0.020 0.000 0.936 357 T N -4.523 109.925 114.554 -0.176 0.000 3.105 357 T HA 0.188 4.541 4.350 0.004 0.000 0.253 357 T C 0.655 175.264 174.700 -0.152 0.000 1.047 357 T CA -0.230 61.782 62.100 -0.147 0.000 0.944 357 T CB -0.120 68.711 68.868 -0.062 0.000 1.016 357 T HN -0.156 nan 8.240 nan 0.000 0.544 358 K N 2.240 122.459 120.400 -0.302 0.000 2.244 358 K HA 0.569 4.891 4.320 0.004 0.000 0.260 358 K C -0.397 176.010 176.600 -0.322 0.000 0.951 358 K CA -0.816 55.164 56.287 -0.511 0.000 0.826 358 K CB 2.237 34.329 32.500 -0.680 0.000 1.108 358 K HN 0.306 nan 8.250 nan 0.000 0.433 359 L N -0.174 121.000 121.223 -0.082 0.000 2.387 359 L HA 0.656 4.998 4.340 0.004 0.000 0.266 359 L C -0.052 176.651 176.870 -0.277 0.000 1.059 359 L CA -0.454 54.302 54.840 -0.141 0.000 0.801 359 L CB 0.372 42.418 42.059 -0.022 0.000 1.223 359 L HN 0.454 nan 8.230 nan 0.000 0.456 360 I N 1.665 122.157 120.570 -0.131 0.000 2.330 360 I HA 0.364 4.536 4.170 0.004 0.000 0.286 360 I C -2.124 174.012 176.117 0.032 0.000 1.025 360 I CA -1.738 59.530 61.300 -0.055 0.000 1.197 360 I CB 1.127 39.115 38.000 -0.021 0.000 1.358 360 I HN 0.456 nan 8.210 nan 0.000 0.467 361 P HA 0.005 nan 4.420 nan 0.000 0.264 361 P C 0.315 177.679 177.300 0.107 0.000 1.183 361 P CA 0.191 63.337 63.100 0.077 0.000 0.763 361 P CB 0.603 32.340 31.700 0.062 0.000 0.807 362 E N 1.737 122.007 120.200 0.116 0.000 2.268 362 E HA -0.172 4.180 4.350 0.004 0.000 0.195 362 E C 1.412 178.063 176.600 0.086 0.000 0.995 362 E CA 0.671 57.127 56.400 0.094 0.000 0.836 362 E CB -0.007 29.747 29.700 0.088 0.000 0.763 362 E HN 0.507 nan 8.360 nan 0.000 0.491 363 E N 0.567 120.820 120.200 0.088 0.000 2.153 363 E HA -0.150 4.202 4.350 0.004 0.000 0.194 363 E C 2.100 178.762 176.600 0.104 0.000 0.988 363 E CA 0.794 57.243 56.400 0.082 0.000 0.811 363 E CB 0.024 29.767 29.700 0.071 0.000 0.746 363 E HN 0.362 nan 8.360 nan 0.000 0.466 364 L N -0.239 121.068 121.223 0.141 0.000 2.127 364 L HA 0.020 4.362 4.340 0.004 0.000 0.203 364 L C 0.661 177.651 176.870 0.199 0.000 1.080 364 L CA 0.512 55.474 54.840 0.203 0.000 0.768 364 L CB 0.366 42.620 42.059 0.325 0.000 0.924 364 L HN -0.185 nan 8.230 nan 0.000 0.444 365 V N 1.272 121.279 119.914 0.155 0.000 2.445 365 V HA 0.297 4.419 4.120 0.004 0.000 0.283 365 V C -2.342 173.798 176.094 0.075 0.000 1.014 365 V CA -1.465 60.910 62.300 0.125 0.000 0.852 365 V CB 1.500 33.391 31.823 0.114 0.000 1.021 365 V HN -0.033 nan 8.190 nan 0.000 0.435 366 P HA 0.145 nan 4.420 nan 0.000 0.269 366 P C -0.330 176.967 177.300 -0.005 0.000 1.215 366 P CA 0.064 63.182 63.100 0.030 0.000 0.780 366 P CB 1.125 32.847 31.700 0.037 0.000 0.898 367 V N 3.137 123.017 119.914 -0.057 0.000 2.432 367 V HA 0.122 4.244 4.120 0.004 0.000 0.271 367 V C 0.845 176.922 176.094 -0.030 0.000 1.046 367 V CA -0.099 62.132 62.300 -0.115 0.000 0.945 367 V CB 0.392 32.055 31.823 -0.267 0.000 0.992 367 V HN 0.540 nan 8.190 nan 0.000 0.471 368 Q N 5.649 125.451 119.800 0.004 0.000 2.294 368 Q HA 0.295 4.637 4.340 0.004 0.000 0.257 368 Q C -0.143 175.838 176.000 -0.033 0.000 0.955 368 Q CA -0.605 55.203 55.803 0.008 0.000 0.936 368 Q CB 0.580 29.336 28.738 0.029 0.000 1.188 368 Q HN 0.643 nan 8.270 nan 0.000 0.420 369 R N 3.092 123.603 120.500 0.018 0.000 2.351 369 R HA 0.078 4.420 4.340 0.004 0.000 0.318 369 R C 0.241 176.551 176.300 0.016 0.000 1.055 369 R CA -0.246 55.890 56.100 0.060 0.000 0.968 369 R CB 0.727 31.158 30.300 0.218 0.000 0.974 369 R HN 0.494 nan 8.270 nan 0.000 0.439 370 V N 1.704 121.484 119.914 -0.224 0.000 3.455 370 V HA 0.260 4.383 4.120 0.004 0.000 0.250 370 V C 0.841 176.632 176.094 -0.505 0.000 1.230 370 V CA 1.056 63.138 62.300 -0.363 0.000 1.105 370 V CB 0.982 32.341 31.823 -0.773 0.000 0.850 370 V HN 1.027 nan 8.190 nan 0.000 0.461 371 G N -0.228 108.115 108.800 -0.760 0.000 2.430 371 G HA2 0.509 4.471 3.960 0.004 0.000 0.300 371 G HA3 0.509 4.471 3.960 0.004 0.000 0.300 371 G C -1.788 172.746 174.900 -0.610 0.000 1.330 371 G CA -0.551 43.968 45.100 -0.968 0.000 0.813 371 G HN 0.049 nan 8.290 nan 0.000 0.487 372 K N -0.526 119.628 120.400 -0.409 0.000 2.427 372 K HA 0.717 5.040 4.320 0.004 0.000 0.252 372 K C -0.987 175.679 176.600 0.111 0.000 0.931 372 K CA -0.793 55.512 56.287 0.031 0.000 0.793 372 K CB 2.166 34.737 32.500 0.118 0.000 1.211 372 K HN 0.611 nan 8.250 nan 0.000 0.426 373 M N 4.748 124.530 119.600 0.303 0.000 2.294 373 M HA 0.425 4.907 4.480 0.004 0.000 0.335 373 M C -1.705 174.569 176.300 -0.042 0.000 1.079 373 M CA -0.764 54.636 55.300 0.167 0.000 0.982 373 M CB 1.689 34.395 32.600 0.178 0.000 1.651 373 M HN 0.388 nan 8.290 nan 0.000 0.437 374 V N 5.705 125.429 119.914 -0.317 0.000 2.487 374 V HA 0.439 4.561 4.120 0.004 0.000 0.298 374 V C -0.964 174.990 176.094 -0.233 0.000 1.028 374 V CA -0.835 61.292 62.300 -0.288 0.000 0.860 374 V CB 1.703 33.245 31.823 -0.468 0.000 0.991 374 V HN 0.663 nan 8.190 nan 0.000 0.427 375 L N 5.850 127.020 121.223 -0.089 0.000 2.259 375 L HA 0.490 4.832 4.340 0.004 0.000 0.288 375 L C 0.699 177.459 176.870 -0.183 0.000 1.051 375 L CA 0.145 54.932 54.840 -0.087 0.000 0.824 375 L CB 0.961 43.022 42.059 0.004 0.000 1.206 375 L HN 0.867 nan 8.230 nan 0.000 0.429 376 N N 2.291 120.795 118.700 -0.328 0.000 2.194 376 N HA 0.159 4.901 4.740 0.004 0.000 0.231 376 N C 0.032 175.333 175.510 -0.348 0.000 1.247 376 N CA -0.272 52.330 53.050 -0.747 0.000 0.884 376 N CB 0.720 38.471 38.487 -1.227 0.000 1.146 376 N HN 0.396 nan 8.380 nan 0.000 0.516 377 R N 0.209 120.621 120.500 -0.147 0.000 2.535 377 R HA 0.309 4.651 4.340 0.004 0.000 0.274 377 R C -1.287 174.960 176.300 -0.088 0.000 1.090 377 R CA -0.548 55.490 56.100 -0.103 0.000 0.930 377 R CB 1.283 31.532 30.300 -0.085 0.000 1.223 377 R HN 0.053 nan 8.270 nan 0.000 0.441 378 N N 2.892 121.425 118.700 -0.278 0.000 2.445 378 N HA 0.318 5.060 4.740 0.004 0.000 0.264 378 N C -2.340 173.110 175.510 -0.100 0.000 1.227 378 N CA -1.351 51.410 53.050 -0.481 0.000 0.963 378 N CB 0.582 38.146 38.487 -1.539 0.000 1.188 378 N HN 0.304 nan 8.380 nan 0.000 0.491 379 P HA 0.120 nan 4.420 nan 0.000 0.273 379 P C 0.208 177.689 177.300 0.301 0.000 1.250 379 P CA -0.092 63.196 63.100 0.313 0.000 0.793 379 P CB 0.919 32.843 31.700 0.374 0.000 1.011 380 D N -1.022 119.530 120.400 0.253 0.000 2.201 380 D HA -0.017 4.626 4.640 0.004 0.000 0.209 380 D C 0.344 176.812 176.300 0.280 0.000 0.961 380 D CA 1.360 55.502 54.000 0.236 0.000 0.861 380 D CB 0.200 41.083 40.800 0.138 0.000 0.997 380 D HN 0.372 nan 8.370 nan 0.000 0.486 381 N N -0.221 118.638 118.700 0.265 0.000 2.410 381 N HA 0.005 4.748 4.740 0.004 0.000 0.287 381 N C 0.031 175.741 175.510 0.333 0.000 1.044 381 N CA -0.346 52.873 53.050 0.282 0.000 0.881 381 N CB 1.560 40.180 38.487 0.222 0.000 1.405 381 N HN -0.168 nan 8.380 nan 0.000 0.490 382 F N 4.228 124.326 119.950 0.246 0.000 2.069 382 F HA -0.174 4.355 4.527 0.004 0.000 0.298 382 F C 1.710 177.643 175.800 0.221 0.000 1.113 382 F CA 1.571 59.718 58.000 0.245 0.000 1.214 382 F CB -0.130 38.990 39.000 0.200 0.000 0.978 382 F HN 0.614 nan 8.300 nan 0.000 0.474 383 F N 0.812 120.991 119.950 0.382 0.000 2.075 383 F HA -0.156 4.373 4.527 0.004 0.000 0.297 383 F C 2.325 178.178 175.800 0.090 0.000 1.113 383 F CA 1.808 59.950 58.000 0.236 0.000 1.218 383 F CB -0.940 38.180 39.000 0.200 0.000 0.984 383 F HN -0.001 nan 8.300 nan 0.000 0.472 384 A N -0.362 122.600 122.820 0.236 0.000 1.933 384 A HA -0.171 4.152 4.320 0.004 0.000 0.218 384 A C 2.062 179.583 177.584 -0.106 0.000 1.175 384 A CA 2.056 54.133 52.037 0.067 0.000 0.628 384 A CB -0.660 18.431 19.000 0.151 0.000 0.814 384 A HN 0.606 nan 8.150 nan 0.000 0.444 385 E N -1.412 118.736 120.200 -0.086 0.000 2.132 385 E HA -0.057 4.296 4.350 0.004 0.000 0.193 385 E C 1.974 178.474 176.600 -0.166 0.000 0.951 385 E CA 0.440 56.727 56.400 -0.188 0.000 0.843 385 E CB -0.131 29.506 29.700 -0.105 0.000 0.807 385 E HN 0.559 nan 8.360 nan 0.000 0.467 386 N N 1.349 119.944 118.700 -0.174 0.000 2.182 386 N HA -0.161 4.581 4.740 0.004 0.000 0.186 386 N C 1.826 177.163 175.510 -0.288 0.000 1.036 386 N CA 1.340 54.239 53.050 -0.251 0.000 0.850 386 N CB 0.045 38.010 38.487 -0.869 0.000 1.010 386 N HN -0.074 nan 8.380 nan 0.000 0.432 387 E N 0.875 120.839 120.200 -0.393 0.000 2.085 387 E HA -0.129 4.223 4.350 0.004 0.000 0.194 387 E C 1.717 178.131 176.600 -0.311 0.000 0.994 387 E CA 1.536 57.776 56.400 -0.267 0.000 0.801 387 E CB -0.184 29.369 29.700 -0.246 0.000 0.743 387 E HN 0.510 nan 8.360 nan 0.000 0.453 388 Q N -0.374 119.177 119.800 -0.414 0.000 2.451 388 Q HA 0.221 4.564 4.340 0.004 0.000 0.206 388 Q C 0.077 175.952 176.000 -0.208 0.000 0.947 388 Q CA 0.246 55.855 55.803 -0.323 0.000 0.937 388 Q CB 0.366 28.897 28.738 -0.346 0.000 1.025 388 Q HN 0.215 nan 8.270 nan 0.000 0.511 389 A N 1.191 123.906 122.820 -0.175 0.000 2.498 389 A HA 0.438 4.760 4.320 0.004 0.000 0.239 389 A C -0.121 177.337 177.584 -0.212 0.000 1.068 389 A CA 0.216 52.124 52.037 -0.215 0.000 0.766 389 A CB 0.236 19.175 19.000 -0.102 0.000 1.003 389 A HN 0.270 nan 8.150 nan 0.000 0.497 390 A N 2.552 125.183 122.820 -0.316 0.000 2.363 390 A HA 0.680 5.002 4.320 0.004 0.000 0.296 390 A C -0.742 176.701 177.584 -0.235 0.000 1.237 390 A CA -0.427 51.488 52.037 -0.202 0.000 0.773 390 A CB 0.194 19.072 19.000 -0.203 0.000 1.153 390 A HN 0.631 nan 8.150 nan 0.000 0.473 391 F N 0.960 120.891 119.950 -0.031 0.000 2.425 391 F HA 0.633 5.162 4.527 0.004 0.000 0.331 391 F C 0.429 176.162 175.800 -0.112 0.000 1.085 391 F CA -0.100 57.858 58.000 -0.071 0.000 1.028 391 F CB 1.759 40.679 39.000 -0.134 0.000 1.177 391 F HN 0.712 nan 8.300 nan 0.000 0.487 392 H N 3.200 122.090 119.070 -0.299 0.000 2.966 392 H HA 0.289 4.848 4.556 0.004 0.000 0.347 392 H C -2.322 172.624 175.328 -0.635 0.000 1.048 392 H CA -1.945 53.673 56.048 -0.717 0.000 1.295 392 H CB 2.677 31.849 29.762 -0.983 0.000 1.744 392 H HN 0.170 nan 8.280 nan 0.000 0.513 393 P HA -0.018 nan 4.420 nan 0.000 0.226 393 P C 1.121 178.287 177.300 -0.224 0.000 1.153 393 P CA 1.276 64.074 63.100 -0.502 0.000 0.777 393 P CB 0.188 31.626 31.700 -0.437 0.000 0.794 394 G N -1.181 107.302 108.800 -0.529 0.000 2.650 394 G HA2 -0.132 3.831 3.960 0.004 0.000 0.214 394 G HA3 -0.132 3.831 3.960 0.004 0.000 0.214 394 G C 0.399 175.499 174.900 0.333 0.000 1.136 394 G CA -0.023 45.093 45.100 0.026 0.000 0.789 394 G HN 0.426 nan 8.290 nan 0.000 0.536 395 H N 0.740 119.918 119.070 0.181 0.000 3.118 395 H HA 0.352 4.910 4.556 0.004 0.000 0.266 395 H C 0.480 175.909 175.328 0.168 0.000 1.465 395 H CA -0.765 55.365 56.048 0.137 0.000 1.460 395 H CB 0.023 29.830 29.762 0.076 0.000 1.661 395 H HN 0.359 nan 8.280 nan 0.000 0.516 396 I N -0.161 120.536 120.570 0.212 0.000 3.100 396 I HA 0.686 4.858 4.170 0.004 0.000 0.312 396 I C -0.146 175.963 176.117 -0.013 0.000 1.063 396 I CA -1.404 59.945 61.300 0.081 0.000 1.031 396 I CB 1.876 39.808 38.000 -0.112 0.000 1.243 396 I HN 0.131 nan 8.210 nan 0.000 0.483 397 V N -1.933 117.955 119.914 -0.043 0.000 3.102 397 V HA 0.681 4.803 4.120 0.004 0.000 0.312 397 V C -2.831 173.359 176.094 0.160 0.000 1.135 397 V CA -2.591 59.741 62.300 0.053 0.000 1.022 397 V CB 1.011 32.844 31.823 0.016 0.000 1.056 397 V HN 0.640 nan 8.190 nan 0.000 0.436 398 P HA 0.354 nan 4.420 nan 0.000 0.262 398 P C 0.896 178.191 177.300 -0.008 0.000 1.182 398 P CA 1.934 65.098 63.100 0.107 0.000 0.761 398 P CB 0.600 32.341 31.700 0.069 0.000 0.795 399 G N 1.727 110.476 108.800 -0.085 0.000 2.218 399 G HA2 -0.155 3.808 3.960 0.004 0.000 0.216 399 G HA3 -0.155 3.808 3.960 0.004 0.000 0.216 399 G C -0.282 174.531 174.900 -0.145 0.000 0.994 399 G CA -0.425 44.608 45.100 -0.112 0.000 0.637 399 G HN 0.456 nan 8.290 nan 0.000 0.505 400 L N 0.044 121.193 121.223 -0.124 0.000 2.333 400 L HA 0.907 5.250 4.340 0.004 0.000 0.263 400 L C -0.775 176.040 176.870 -0.091 0.000 1.014 400 L CA -1.062 53.686 54.840 -0.152 0.000 0.820 400 L CB 2.227 44.129 42.059 -0.261 0.000 1.352 400 L HN 0.092 nan 8.230 nan 0.000 0.421 401 D N -0.445 119.889 120.400 -0.109 0.000 2.622 401 D HA 0.435 5.077 4.640 0.004 0.000 0.255 401 D C -1.208 175.046 176.300 -0.077 0.000 1.246 401 D CA -0.352 53.556 54.000 -0.153 0.000 0.795 401 D CB 1.973 42.756 40.800 -0.029 0.000 1.369 401 D HN 0.115 nan 8.370 nan 0.000 0.425 402 F N -0.080 120.004 119.950 0.223 0.000 2.348 402 F HA 0.479 5.008 4.527 0.004 0.000 0.308 402 F C 1.592 177.423 175.800 0.052 0.000 1.175 402 F CA -0.192 57.875 58.000 0.112 0.000 1.080 402 F CB 1.002 40.035 39.000 0.055 0.000 1.341 402 F HN 0.194 nan 8.300 nan 0.000 0.518 403 T N -3.168 111.487 114.554 0.168 0.000 2.831 403 T HA 0.305 4.657 4.350 0.004 0.000 0.287 403 T C -0.017 174.712 174.700 0.049 0.000 1.070 403 T CA -1.018 61.151 62.100 0.116 0.000 1.010 403 T CB 1.167 70.070 68.868 0.058 0.000 1.264 403 T HN 0.354 nan 8.240 nan 0.000 0.532 404 N N 1.245 119.976 118.700 0.052 0.000 2.434 404 N HA 0.062 4.804 4.740 0.004 0.000 0.196 404 N C 0.019 175.530 175.510 0.002 0.000 1.183 404 N CA 0.064 53.128 53.050 0.024 0.000 0.849 404 N CB -0.418 38.100 38.487 0.053 0.000 0.992 404 N HN 0.692 nan 8.380 nan 0.000 0.460 405 D N 2.094 122.477 120.400 -0.029 0.000 2.531 405 D HA -0.057 4.585 4.640 0.004 0.000 0.239 405 D C -1.428 174.857 176.300 -0.026 0.000 1.144 405 D CA -1.049 52.958 54.000 0.013 0.000 0.869 405 D CB 1.387 42.141 40.800 -0.077 0.000 1.160 405 D HN 0.123 nan 8.370 nan 0.000 0.484 406 P HA -0.077 nan 4.420 nan 0.000 0.231 406 P C 1.482 178.788 177.300 0.009 0.000 1.168 406 P CA 0.107 63.215 63.100 0.013 0.000 0.779 406 P CB 0.429 32.133 31.700 0.007 0.000 0.844 407 L N -0.280 120.964 121.223 0.035 0.000 2.102 407 L HA 0.033 4.375 4.340 0.004 0.000 0.202 407 L C 2.321 179.103 176.870 -0.146 0.000 1.076 407 L CA 1.216 56.073 54.840 0.028 0.000 0.761 407 L CB -1.507 40.654 42.059 0.169 0.000 0.921 407 L HN -0.174 nan 8.230 nan 0.000 0.444 408 L N -0.588 120.378 121.223 -0.427 0.000 2.046 408 L HA -0.194 4.149 4.340 0.004 0.000 0.208 408 L C 2.412 179.023 176.870 -0.432 0.000 1.077 408 L CA 1.728 56.102 54.840 -0.778 0.000 0.747 408 L CB -0.883 40.435 42.059 -1.236 0.000 0.896 408 L HN 0.358 nan 8.230 nan 0.000 0.432 409 Q N -0.074 119.546 119.800 -0.300 0.000 2.112 409 Q HA -0.165 4.177 4.340 0.004 0.000 0.206 409 Q C 2.091 178.003 176.000 -0.147 0.000 0.987 409 Q CA 1.811 57.480 55.803 -0.223 0.000 0.858 409 Q CB -0.783 27.874 28.738 -0.135 0.000 0.905 409 Q HN 0.709 nan 8.270 nan 0.000 0.420 410 G N 0.478 109.224 108.800 -0.090 0.000 2.464 410 G HA2 -0.187 3.776 3.960 0.004 0.000 0.217 410 G HA3 -0.187 3.776 3.960 0.004 0.000 0.217 410 G C 1.499 176.409 174.900 0.017 0.000 1.138 410 G CA 0.058 45.153 45.100 -0.007 0.000 0.793 410 G HN 0.234 nan 8.290 nan 0.000 0.539 411 R N -0.067 120.390 120.500 -0.073 0.000 2.120 411 R HA 0.047 4.389 4.340 0.004 0.000 0.234 411 R C 2.458 178.785 176.300 0.045 0.000 1.123 411 R CA 0.745 56.850 56.100 0.008 0.000 0.975 411 R CB -0.448 29.830 30.300 -0.037 0.000 0.866 411 R HN 0.333 nan 8.270 nan 0.000 0.446 412 L N -0.375 120.782 121.223 -0.110 0.000 2.127 412 L HA -0.216 4.126 4.340 0.004 0.000 0.211 412 L C 2.282 179.260 176.870 0.181 0.000 1.089 412 L CA 1.239 56.017 54.840 -0.104 0.000 0.757 412 L CB -0.439 41.450 42.059 -0.282 0.000 0.899 412 L HN 0.174 nan 8.230 nan 0.000 0.434 413 F N -0.123 119.849 119.950 0.036 0.000 2.187 413 F HA -0.121 4.408 4.527 0.004 0.000 0.295 413 F C 2.751 178.611 175.800 0.100 0.000 1.091 413 F CA 1.342 59.379 58.000 0.062 0.000 1.308 413 F CB -0.248 38.760 39.000 0.014 0.000 1.030 413 F HN -0.082 nan 8.300 nan 0.000 0.487 414 S N -0.547 115.151 115.700 -0.004 0.000 2.356 414 S HA -0.232 4.240 4.470 0.004 0.000 0.223 414 S C 2.077 176.566 174.600 -0.186 0.000 1.032 414 S CA 1.718 59.803 58.200 -0.191 0.000 1.005 414 S CB -0.743 62.374 63.200 -0.139 0.000 0.867 414 S HN 0.547 nan 8.310 nan 0.000 0.449 415 Y N 1.493 121.802 120.300 0.016 0.000 2.242 415 Y HA -0.069 4.483 4.550 0.004 0.000 0.291 415 Y C 3.008 178.704 175.900 -0.341 0.000 1.137 415 Y CA 1.484 59.598 58.100 0.024 0.000 1.181 415 Y CB -0.926 37.989 38.460 0.758 0.000 0.989 415 Y HN 0.248 nan 8.280 nan 0.000 0.527 416 T N -0.466 113.854 114.554 -0.390 0.000 2.708 416 T HA -0.228 4.124 4.350 0.004 0.000 0.266 416 T C 1.423 175.953 174.700 -0.283 0.000 1.037 416 T CA 1.775 63.639 62.100 -0.394 0.000 1.146 416 T CB -0.467 68.230 68.868 -0.286 0.000 0.865 416 T HN 0.359 nan 8.240 nan 0.000 0.435 417 D N 0.434 120.614 120.400 -0.366 0.000 2.097 417 D HA -0.103 4.540 4.640 0.004 0.000 0.195 417 D C 2.318 178.479 176.300 -0.232 0.000 0.989 417 D CA 1.480 55.274 54.000 -0.344 0.000 0.827 417 D CB -0.480 39.938 40.800 -0.637 0.000 0.966 417 D HN 0.236 nan 8.370 nan 0.000 0.456 418 T N -1.009 113.402 114.554 -0.238 0.000 2.867 418 T HA -0.129 4.223 4.350 0.004 0.000 0.268 418 T C 1.795 176.385 174.700 -0.182 0.000 1.057 418 T CA 1.307 63.301 62.100 -0.176 0.000 1.136 418 T CB -0.179 68.584 68.868 -0.175 0.000 0.874 418 T HN 0.208 nan 8.240 nan 0.000 0.466 419 Q N -0.077 119.557 119.800 -0.277 0.000 2.297 419 Q HA 0.019 4.361 4.340 0.004 0.000 0.204 419 Q C 2.124 177.994 176.000 -0.217 0.000 0.962 419 Q CA 0.729 56.302 55.803 -0.383 0.000 0.879 419 Q CB -0.032 28.195 28.738 -0.852 0.000 0.947 419 Q HN 0.458 nan 8.270 nan 0.000 0.462 420 I N 0.469 120.981 120.570 -0.096 0.000 2.208 420 I HA -0.261 3.912 4.170 0.004 0.000 0.245 420 I C 2.397 178.525 176.117 0.018 0.000 1.097 420 I CA 1.832 63.151 61.300 0.032 0.000 1.363 420 I CB -1.470 36.549 38.000 0.032 0.000 1.051 420 I HN 0.234 nan 8.210 nan 0.000 0.413 421 S N 0.404 116.094 115.700 -0.017 0.000 2.421 421 S HA -0.090 4.382 4.470 0.004 0.000 0.224 421 S C 2.169 176.764 174.600 -0.008 0.000 1.035 421 S CA 0.281 58.479 58.200 -0.002 0.000 0.953 421 S CB -0.392 62.806 63.200 -0.003 0.000 0.810 421 S HN 0.331 nan 8.310 nan 0.000 0.497 422 R N 0.979 121.457 120.500 -0.037 0.000 2.081 422 R HA 0.138 4.481 4.340 0.004 0.000 0.235 422 R C 1.264 177.551 176.300 -0.023 0.000 1.131 422 R CA 1.409 57.489 56.100 -0.034 0.000 0.960 422 R CB -0.268 29.993 30.300 -0.064 0.000 0.856 422 R HN 0.462 nan 8.270 nan 0.000 0.436 423 L N -0.529 120.675 121.223 -0.031 0.000 2.818 423 L HA 0.342 4.685 4.340 0.004 0.000 0.243 423 L C 0.754 177.655 176.870 0.051 0.000 1.185 423 L CA 0.233 55.076 54.840 0.005 0.000 0.988 423 L CB 1.110 43.170 42.059 0.002 0.000 1.292 423 L HN 0.543 nan 8.230 nan 0.000 0.519 424 G N -0.077 108.752 108.800 0.047 0.000 2.148 424 G HA2 -0.110 3.852 3.960 0.004 0.000 0.254 424 G HA3 -0.110 3.852 3.960 0.004 0.000 0.254 424 G C 0.439 175.386 174.900 0.077 0.000 0.981 424 G CA 0.058 45.190 45.100 0.053 0.000 0.670 424 G HN 0.803 nan 8.290 nan 0.000 0.528 425 G N -1.710 107.159 108.800 0.115 0.000 2.356 425 G HA2 0.597 4.559 3.960 0.004 0.000 0.288 425 G HA3 0.597 4.559 3.960 0.004 0.000 0.288 425 G C -2.268 172.754 174.900 0.203 0.000 1.302 425 G CA 0.379 45.553 45.100 0.124 0.000 0.887 425 G HN 0.460 nan 8.290 nan 0.000 0.521 426 P HA 0.159 nan 4.420 nan 0.000 0.255 426 P C 0.204 177.433 177.300 -0.119 0.000 1.248 426 P CA 0.299 63.442 63.100 0.072 0.000 0.807 426 P CB 0.273 32.004 31.700 0.052 0.000 1.150 427 N N 0.507 119.161 118.700 -0.077 0.000 2.376 427 N HA 0.081 4.823 4.740 0.004 0.000 0.249 427 N C 0.923 176.232 175.510 -0.335 0.000 1.140 427 N CA -0.221 52.690 53.050 -0.232 0.000 0.870 427 N CB -0.487 37.923 38.487 -0.129 0.000 1.124 427 N HN 0.226 nan 8.380 nan 0.000 0.505 428 F N 0.653 120.591 119.950 -0.019 0.000 2.365 428 F HA -0.056 4.473 4.527 0.004 0.000 0.300 428 F C 2.226 177.969 175.800 -0.095 0.000 1.090 428 F CA 0.715 58.678 58.000 -0.063 0.000 1.408 428 F CB -0.794 38.184 39.000 -0.036 0.000 1.060 428 F HN 0.178 nan 8.300 nan 0.000 0.534 429 H N 0.481 119.243 119.070 -0.513 0.000 2.546 429 H HA 0.065 4.623 4.556 0.004 0.000 0.277 429 H C 0.824 176.034 175.328 -0.197 0.000 1.004 429 H CA 1.314 57.174 56.048 -0.314 0.000 1.231 429 H CB -0.745 28.705 29.762 -0.521 0.000 1.382 429 H HN 0.522 nan 8.280 nan 0.000 0.580 430 E N 0.974 120.768 120.200 -0.676 0.000 2.478 430 E HA 0.173 4.525 4.350 0.004 0.000 0.194 430 E C 0.353 176.855 176.600 -0.163 0.000 1.045 430 E CA -0.246 55.930 56.400 -0.374 0.000 0.868 430 E CB 0.509 29.992 29.700 -0.360 0.000 0.885 430 E HN 0.440 nan 8.360 nan 0.000 0.505 431 I N 2.723 123.218 120.570 -0.126 0.000 2.598 431 I HA -0.039 4.134 4.170 0.004 0.000 0.284 431 I C -1.533 174.536 176.117 -0.080 0.000 1.140 431 I CA -1.584 59.669 61.300 -0.078 0.000 1.420 431 I CB 0.584 38.547 38.000 -0.062 0.000 1.387 431 I HN -0.198 nan 8.210 nan 0.000 0.553 432 P HA -0.266 nan 4.420 nan 0.000 0.217 432 P C 1.717 178.952 177.300 -0.108 0.000 1.162 432 P CA 1.395 64.448 63.100 -0.080 0.000 0.901 432 P CB 0.158 31.817 31.700 -0.069 0.000 0.793 433 I N -0.909 119.568 120.570 -0.155 0.000 2.454 433 I HA -0.181 3.991 4.170 0.004 0.000 0.254 433 I C 1.336 177.383 176.117 -0.117 0.000 1.156 433 I CA 1.669 62.829 61.300 -0.234 0.000 1.433 433 I CB -0.714 37.037 38.000 -0.415 0.000 1.082 433 I HN -0.106 nan 8.210 nan 0.000 0.432 434 N N 0.606 119.258 118.700 -0.081 0.000 2.422 434 N HA 0.040 4.783 4.740 0.004 0.000 0.181 434 N C 0.288 175.822 175.510 0.040 0.000 1.080 434 N CA 0.199 53.235 53.050 -0.024 0.000 0.893 434 N CB -0.090 38.402 38.487 0.008 0.000 0.973 434 N HN 0.371 nan 8.380 nan 0.000 0.456 435 R N 1.658 122.176 120.500 0.030 0.000 2.570 435 R HA 0.145 4.487 4.340 0.004 0.000 0.277 435 R C -2.195 174.179 176.300 0.122 0.000 1.039 435 R CA -1.143 54.981 56.100 0.040 0.000 1.065 435 R CB -0.136 30.168 30.300 0.007 0.000 0.964 435 R HN 0.046 nan 8.270 nan 0.000 0.428 436 P HA 0.001 nan 4.420 nan 0.000 0.272 436 P C 0.535 177.914 177.300 0.131 0.000 1.230 436 P CA -0.080 63.106 63.100 0.144 0.000 0.788 436 P CB 0.648 32.389 31.700 0.069 0.000 0.949 437 T N -3.125 111.517 114.554 0.147 0.000 3.044 437 T HA 0.074 4.427 4.350 0.004 0.000 0.250 437 T C 0.900 175.646 174.700 0.076 0.000 1.081 437 T CA 0.027 62.168 62.100 0.070 0.000 1.040 437 T CB -1.013 67.878 68.868 0.037 0.000 0.962 437 T HN 0.587 nan 8.240 nan 0.000 0.506 438 C N 1.421 120.781 119.300 0.099 0.000 2.347 438 C HA 0.784 5.247 4.460 0.004 0.000 0.366 438 C C -2.429 172.622 174.990 0.101 0.000 1.241 438 C CA -2.549 56.526 59.018 0.095 0.000 2.360 438 C CB 0.182 27.983 27.740 0.101 0.000 2.290 438 C HN 0.183 nan 8.230 nan 0.000 0.587 439 P HA 0.264 nan 4.420 nan 0.000 0.268 439 P C -1.201 176.180 177.300 0.135 0.000 1.205 439 P CA 0.531 63.705 63.100 0.124 0.000 0.771 439 P CB -0.078 31.744 31.700 0.203 0.000 0.858 440 Y N 1.007 121.208 120.300 -0.164 0.000 2.354 440 Y HA 0.635 5.187 4.550 0.004 0.000 0.330 440 Y C -1.484 174.103 175.900 -0.521 0.000 1.011 440 Y CA -0.942 57.039 58.100 -0.198 0.000 1.099 440 Y CB 1.370 39.739 38.460 -0.152 0.000 1.179 440 Y HN 0.420 nan 8.280 nan 0.000 0.442 441 H N 4.065 123.051 119.070 -0.139 0.000 2.877 441 H HA 0.536 5.094 4.556 0.004 0.000 0.347 441 H C -1.153 174.072 175.328 -0.172 0.000 1.042 441 H CA -0.770 55.117 56.048 -0.267 0.000 1.276 441 H CB 1.593 31.229 29.762 -0.210 0.000 1.681 441 H HN 0.888 nan 8.280 nan 0.000 0.521 442 N N 0.496 119.099 118.700 -0.161 0.000 3.378 442 N HA 0.192 4.934 4.740 0.004 0.000 0.294 442 N C -1.131 174.152 175.510 -0.378 0.000 1.544 442 N CA -0.946 51.965 53.050 -0.232 0.000 0.872 442 N CB 0.669 39.169 38.487 0.022 0.000 1.670 442 N HN 0.299 nan 8.380 nan 0.000 0.551 443 F N -0.350 119.643 119.950 0.073 0.000 2.664 443 F HA 0.341 4.870 4.527 0.004 0.000 0.303 443 F C 0.461 176.302 175.800 0.069 0.000 1.092 443 F CA -0.353 57.684 58.000 0.061 0.000 1.305 443 F CB 0.239 39.270 39.000 0.053 0.000 1.054 443 F HN 0.132 nan 8.300 nan 0.000 0.565 444 Q N 1.637 121.541 119.800 0.174 0.000 2.352 444 Q HA 0.373 4.715 4.340 0.004 0.000 0.260 444 Q C 0.023 176.095 176.000 0.119 0.000 0.976 444 Q CA 0.035 55.918 55.803 0.134 0.000 0.881 444 Q CB 1.009 29.802 28.738 0.091 0.000 1.235 444 Q HN 0.092 nan 8.270 nan 0.000 0.419 445 R N 1.615 122.178 120.500 0.106 0.000 2.799 445 R HA 0.360 4.702 4.340 0.004 0.000 0.270 445 R C -0.630 175.712 176.300 0.071 0.000 1.010 445 R CA -0.661 55.492 56.100 0.088 0.000 0.916 445 R CB 1.120 31.476 30.300 0.093 0.000 1.228 445 R HN 0.708 nan 8.270 nan 0.000 0.469 446 D N -0.221 120.213 120.400 0.056 0.000 3.439 446 D HA -0.163 4.480 4.640 0.004 0.000 0.238 446 D C 0.348 176.674 176.300 0.043 0.000 1.727 446 D CA 2.012 56.038 54.000 0.043 0.000 1.145 446 D CB -1.043 39.782 40.800 0.043 0.000 0.764 446 D HN 0.899 nan 8.370 nan 0.000 0.938 447 G N -1.391 107.433 108.800 0.041 0.000 2.712 447 G HA2 0.179 4.141 3.960 0.004 0.000 0.686 447 G HA3 0.179 4.141 3.960 0.004 0.000 0.686 447 G C -0.230 174.697 174.900 0.045 0.000 1.321 447 G CA 0.052 45.179 45.100 0.045 0.000 0.813 447 G HN 0.792 nan 8.290 nan 0.000 0.599 448 M N 1.061 120.695 119.600 0.057 0.000 2.250 448 M HA 0.437 4.919 4.480 0.004 0.000 0.337 448 M C 1.109 177.480 176.300 0.119 0.000 1.161 448 M CA 1.281 56.625 55.300 0.075 0.000 1.088 448 M CB -0.515 32.133 32.600 0.079 0.000 1.639 448 M HN 1.548 nan 8.290 nan 0.000 0.447 449 H N 0.813 119.884 119.070 0.001 0.000 2.677 449 H HA -0.188 4.371 4.556 0.004 0.000 0.321 449 H C -0.719 174.594 175.328 -0.026 0.000 1.171 449 H CA 0.849 56.892 56.048 -0.008 0.000 1.139 449 H CB -0.693 29.067 29.762 -0.004 0.000 1.515 449 H HN 0.600 nan 8.280 nan 0.000 0.423 450 R N 1.509 121.997 120.500 -0.021 0.000 2.296 450 R HA 0.084 4.426 4.340 0.004 0.000 0.323 450 R C 0.940 177.201 176.300 -0.064 0.000 1.067 450 R CA -0.065 56.020 56.100 -0.025 0.000 0.946 450 R CB 0.246 30.540 30.300 -0.009 0.000 0.991 450 R HN 0.363 nan 8.270 nan 0.000 0.448 451 M N 2.576 122.153 119.600 -0.038 0.000 2.276 451 M HA 0.200 4.683 4.480 0.004 0.000 0.262 451 M C 0.994 177.274 176.300 -0.034 0.000 1.098 451 M CA 1.070 56.347 55.300 -0.038 0.000 1.167 451 M CB -0.916 31.677 32.600 -0.011 0.000 1.337 451 M HN 0.701 nan 8.290 nan 0.000 0.446 452 G N 1.881 110.668 108.800 -0.020 0.000 2.340 452 G HA2 0.364 4.326 3.960 0.004 0.000 0.245 452 G HA3 0.364 4.326 3.960 0.004 0.000 0.245 452 G C -0.355 174.530 174.900 -0.026 0.000 1.294 452 G CA -0.358 44.727 45.100 -0.025 0.000 0.896 452 G HN 0.332 nan 8.290 nan 0.000 0.522 453 I N 2.853 123.403 120.570 -0.034 0.000 2.307 453 I HA 0.103 4.275 4.170 0.004 0.000 0.287 453 I C -0.262 175.839 176.117 -0.027 0.000 1.054 453 I CA -0.551 60.734 61.300 -0.025 0.000 1.218 453 I CB 0.959 38.944 38.000 -0.025 0.000 1.398 453 I HN 0.357 nan 8.210 nan 0.000 0.475 454 D N 4.803 125.193 120.400 -0.017 0.000 2.351 454 D HA 0.066 4.709 4.640 0.004 0.000 0.251 454 D C 1.178 177.476 176.300 -0.004 0.000 1.137 454 D CA 0.264 54.254 54.000 -0.017 0.000 0.879 454 D CB 1.808 42.607 40.800 -0.002 0.000 1.181 454 D HN 0.568 nan 8.370 nan 0.000 0.448 455 T N -0.876 113.672 114.554 -0.009 0.000 3.069 455 T HA -0.048 4.304 4.350 0.004 0.000 0.252 455 T C 0.813 175.520 174.700 0.011 0.000 1.053 455 T CA -0.550 61.550 62.100 -0.001 0.000 0.964 455 T CB 0.181 69.043 68.868 -0.011 0.000 1.005 455 T HN 0.115 nan 8.240 nan 0.000 0.532 456 N N 3.276 121.985 118.700 0.015 0.000 2.411 456 N HA 0.111 4.854 4.740 0.004 0.000 0.261 456 N C -1.678 173.868 175.510 0.060 0.000 1.248 456 N CA -1.580 51.493 53.050 0.037 0.000 0.885 456 N CB 1.466 39.976 38.487 0.039 0.000 1.062 456 N HN 0.035 nan 8.380 nan 0.000 0.471 457 P HA -0.034 nan 4.420 nan 0.000 0.218 457 P C -0.571 176.782 177.300 0.089 0.000 1.148 457 P CA 1.036 64.177 63.100 0.068 0.000 0.822 457 P CB 0.182 31.918 31.700 0.059 0.000 0.784 458 A N 0.516 123.376 122.820 0.068 0.000 2.306 458 A HA 0.396 4.719 4.320 0.004 0.000 0.314 458 A C 0.434 178.110 177.584 0.153 0.000 1.164 458 A CA -0.624 51.405 52.037 -0.013 0.000 0.822 458 A CB -0.044 18.785 19.000 -0.284 0.000 1.130 458 A HN 0.293 nan 8.150 nan 0.000 0.496 459 N N 0.201 119.023 118.700 0.204 0.000 2.351 459 N HA 0.372 5.115 4.740 0.004 0.000 0.254 459 N C -0.871 174.798 175.510 0.265 0.000 1.241 459 N CA -0.369 52.886 53.050 0.341 0.000 0.883 459 N CB 0.326 38.971 38.487 0.263 0.000 1.202 459 N HN 0.692 nan 8.380 nan 0.000 0.512 460 Y N -1.102 119.071 120.300 -0.211 0.000 2.638 460 Y HA 0.670 5.223 4.550 0.004 0.000 0.335 460 Y C -1.586 173.713 175.900 -1.001 0.000 1.155 460 Y CA -1.383 56.408 58.100 -0.514 0.000 1.046 460 Y CB 1.009 39.336 38.460 -0.221 0.000 1.303 460 Y HN 0.070 nan 8.280 nan 0.000 0.460 461 E N 0.810 120.562 120.200 -0.747 0.000 2.356 461 E HA 0.637 4.989 4.350 0.004 0.000 0.275 461 E C -3.195 173.307 176.600 -0.163 0.000 0.904 461 E CA -2.002 54.057 56.400 -0.568 0.000 0.757 461 E CB 1.744 31.067 29.700 -0.628 0.000 1.232 461 E HN 0.574 nan 8.360 nan 0.000 0.442 462 P HA 0.283 nan 4.420 nan 0.000 0.275 462 P C -1.256 176.006 177.300 -0.062 0.000 1.228 462 P CA -0.425 62.616 63.100 -0.098 0.000 0.786 462 P CB 0.504 32.177 31.700 -0.045 0.000 0.927 463 N N -1.352 117.242 118.700 -0.177 0.000 2.284 463 N HA 0.342 5.084 4.740 0.004 0.000 0.289 463 N C 0.253 175.719 175.510 -0.074 0.000 1.179 463 N CA -0.762 52.188 53.050 -0.167 0.000 0.774 463 N CB 1.457 39.565 38.487 -0.632 0.000 1.548 463 N HN 0.188 nan 8.380 nan 0.000 0.473 464 S N 0.667 116.369 115.700 0.004 0.000 2.497 464 S HA 0.001 4.474 4.470 0.004 0.000 0.218 464 S C 1.572 176.185 174.600 0.021 0.000 1.023 464 S CA 0.029 58.234 58.200 0.007 0.000 0.913 464 S CB -0.807 62.409 63.200 0.026 0.000 0.800 464 S HN 0.709 nan 8.310 nan 0.000 0.505 465 I N -0.488 120.100 120.570 0.030 0.000 2.614 465 I HA 0.166 4.339 4.170 0.004 0.000 0.258 465 I C 1.359 177.504 176.117 0.047 0.000 1.189 465 I CA 1.393 62.720 61.300 0.046 0.000 1.462 465 I CB -0.406 37.639 38.000 0.075 0.000 1.092 465 I HN 0.189 nan 8.210 nan 0.000 0.442 466 N N 0.986 119.712 118.700 0.043 0.000 2.291 466 N HA 0.037 4.779 4.740 0.004 0.000 0.244 466 N C -0.070 175.548 175.510 0.181 0.000 1.216 466 N CA -0.026 53.091 53.050 0.112 0.000 0.879 466 N CB 0.009 38.573 38.487 0.128 0.000 1.167 466 N HN 0.207 nan 8.380 nan 0.000 0.515 467 D N 0.687 121.145 120.400 0.095 0.000 2.811 467 D HA -0.260 4.382 4.640 0.004 0.000 0.231 467 D C -0.116 176.095 176.300 -0.148 0.000 1.157 467 D CA 1.098 55.124 54.000 0.043 0.000 0.716 467 D CB -1.363 39.539 40.800 0.170 0.000 1.077 467 D HN 0.492 nan 8.370 nan 0.000 0.428 468 N N -1.745 116.887 118.700 -0.114 0.000 2.800 468 N HA -0.243 4.500 4.740 0.004 0.000 0.250 468 N C -0.817 174.610 175.510 -0.138 0.000 1.078 468 N CA 1.396 54.347 53.050 -0.166 0.000 0.804 468 N CB -1.315 37.029 38.487 -0.239 0.000 1.135 468 N HN 0.523 nan 8.380 nan 0.000 0.565 469 W N 0.999 122.350 121.300 0.085 0.000 2.313 469 W HA 0.451 5.113 4.660 0.004 0.000 0.328 469 W C -1.630 174.926 176.519 0.062 0.000 1.197 469 W CA -1.611 55.767 57.345 0.055 0.000 1.235 469 W CB 0.479 29.922 29.460 -0.027 0.000 1.158 469 W HN -0.034 nan 8.180 nan 0.000 0.578 470 P HA 0.166 nan 4.420 nan 0.000 0.271 470 P C -0.662 176.769 177.300 0.218 0.000 1.218 470 P CA -0.072 63.170 63.100 0.238 0.000 0.780 470 P CB 0.902 32.601 31.700 -0.002 0.000 0.901 471 R N 1.053 121.664 120.500 0.185 0.000 2.668 471 R HA 0.323 4.665 4.340 0.004 0.000 0.279 471 R C 0.372 176.700 176.300 0.047 0.000 0.976 471 R CA -0.822 55.258 56.100 -0.033 0.000 0.978 471 R CB 1.138 31.183 30.300 -0.425 0.000 1.133 471 R HN 0.487 nan 8.270 nan 0.000 0.484 472 E N 0.559 120.774 120.200 0.026 0.000 2.422 472 E HA 0.036 4.389 4.350 0.004 0.000 0.260 472 E C -0.549 176.073 176.600 0.036 0.000 1.108 472 E CA 0.643 57.072 56.400 0.048 0.000 0.943 472 E CB 0.638 30.358 29.700 0.034 0.000 0.961 472 E HN 0.355 nan 8.360 nan 0.000 0.443 473 T N 3.079 117.666 114.554 0.055 0.000 2.879 473 T HA 0.325 4.677 4.350 0.004 0.000 0.290 473 T C -2.471 172.253 174.700 0.040 0.000 0.993 473 T CA -1.528 60.602 62.100 0.050 0.000 0.975 473 T CB 1.463 70.374 68.868 0.071 0.000 0.981 473 T HN 0.238 nan 8.240 nan 0.000 0.439 474 P HA 0.205 nan 4.420 nan 0.000 0.268 474 P C -2.454 174.853 177.300 0.011 0.000 1.208 474 P CA -1.125 61.983 63.100 0.013 0.000 0.777 474 P CB -0.363 31.340 31.700 0.005 0.000 0.875 475 P HA 0.267 nan 4.420 nan 0.000 0.269 475 P C -0.006 177.281 177.300 -0.021 0.000 1.209 475 P CA 0.393 63.478 63.100 -0.026 0.000 0.776 475 P CB 0.690 32.352 31.700 -0.064 0.000 0.876 476 G N 1.432 110.219 108.800 -0.023 0.000 2.548 476 G HA2 0.413 4.375 3.960 0.004 0.000 0.301 476 G HA3 0.413 4.375 3.960 0.004 0.000 0.301 476 G C -2.508 172.381 174.900 -0.018 0.000 1.349 476 G CA -0.740 44.351 45.100 -0.015 0.000 0.792 476 G HN 0.163 nan 8.290 nan 0.000 0.481 477 P HA 0.072 nan 4.420 nan 0.000 0.221 477 P C 0.245 177.541 177.300 -0.005 0.000 1.150 477 P CA 1.173 64.264 63.100 -0.014 0.000 0.800 477 P CB 0.461 32.156 31.700 -0.009 0.000 0.787 478 K N -0.938 119.465 120.400 0.006 0.000 2.557 478 K HA 0.276 4.599 4.320 0.004 0.000 0.257 478 K C -0.392 176.225 176.600 0.028 0.000 0.933 478 K CA -0.702 55.596 56.287 0.018 0.000 0.820 478 K CB 1.210 33.722 32.500 0.019 0.000 1.330 478 K HN -0.380 nan 8.250 nan 0.000 0.432 479 R N 0.080 120.604 120.500 0.040 0.000 3.641 479 R HA -0.142 4.200 4.340 0.004 0.000 0.286 479 R C -0.222 176.109 176.300 0.050 0.000 1.153 479 R CA 1.080 57.211 56.100 0.051 0.000 0.775 479 R CB -2.217 28.113 30.300 0.050 0.000 1.215 479 R HN 0.854 nan 8.270 nan 0.000 0.474 480 G N -1.051 107.774 108.800 0.042 0.000 2.491 480 G HA2 0.653 4.615 3.960 0.004 0.000 0.327 480 G HA3 0.653 4.615 3.960 0.004 0.000 0.327 480 G C 0.306 175.239 174.900 0.056 0.000 1.189 480 G CA 0.045 45.167 45.100 0.037 0.000 0.956 480 G HN 0.258 nan 8.290 nan 0.000 0.491 481 G N -1.257 107.577 108.800 0.057 0.000 2.606 481 G HA2 0.407 4.369 3.960 0.004 0.000 0.252 481 G HA3 0.407 4.369 3.960 0.004 0.000 0.252 481 G C -0.693 174.263 174.900 0.094 0.000 1.206 481 G CA -0.532 44.624 45.100 0.094 0.000 0.861 481 G HN 0.461 nan 8.290 nan 0.000 0.561 482 F N 0.375 120.341 119.950 0.027 0.000 2.467 482 F HA 0.394 4.923 4.527 0.004 0.000 0.362 482 F C 0.532 176.347 175.800 0.025 0.000 1.090 482 F CA -0.251 57.761 58.000 0.020 0.000 1.202 482 F CB 0.884 39.899 39.000 0.024 0.000 1.113 482 F HN 0.443 nan 8.300 nan 0.000 0.541 483 E N 4.096 123.938 120.200 -0.597 0.000 2.256 483 E HA 0.314 4.667 4.350 0.004 0.000 0.268 483 E C -1.104 175.169 176.600 -0.544 0.000 0.877 483 E CA -0.792 55.412 56.400 -0.327 0.000 0.757 483 E CB 1.585 31.179 29.700 -0.176 0.000 1.183 483 E HN 0.614 nan 8.360 nan 0.000 0.418 484 S N 2.513 118.135 115.700 -0.130 0.000 2.564 484 S HA 0.005 4.477 4.470 0.004 0.000 0.278 484 S C -0.600 173.991 174.600 -0.014 0.000 1.333 484 S CA -0.332 57.875 58.200 0.012 0.000 1.048 484 S CB 0.134 63.458 63.200 0.206 0.000 0.900 484 S HN 0.469 nan 8.310 nan 0.000 0.505 485 Y N 2.697 122.943 120.300 -0.090 0.000 2.620 485 Y HA -0.005 4.547 4.550 0.004 0.000 0.330 485 Y C 0.794 176.678 175.900 -0.027 0.000 1.186 485 Y CA 0.083 58.136 58.100 -0.078 0.000 1.467 485 Y CB 0.150 38.564 38.460 -0.077 0.000 1.262 485 Y HN 0.581 nan 8.280 nan 0.000 0.550 486 Q N 5.348 124.791 119.800 -0.595 0.000 3.254 486 Q HA 0.017 4.359 4.340 0.004 0.000 0.315 486 Q C -0.199 175.506 176.000 -0.492 0.000 1.405 486 Q CA -0.027 55.525 55.803 -0.418 0.000 0.966 486 Q CB -0.208 28.357 28.738 -0.288 0.000 1.706 486 Q HN 0.652 nan 8.270 nan 0.000 0.525 487 E N 1.497 121.488 120.200 -0.347 0.000 2.413 487 E HA -0.006 4.347 4.350 0.004 0.000 0.263 487 E C -0.263 176.308 176.600 -0.049 0.000 1.015 487 E CA -0.429 55.904 56.400 -0.111 0.000 0.916 487 E CB 0.644 30.422 29.700 0.129 0.000 0.947 487 E HN 0.136 nan 8.360 nan 0.000 0.440 488 R N 3.093 123.587 120.500 -0.010 0.000 2.298 488 R HA 0.217 4.559 4.340 0.004 0.000 0.310 488 R C -1.464 174.858 176.300 0.037 0.000 1.068 488 R CA -0.235 55.868 56.100 0.007 0.000 0.957 488 R CB 0.838 31.149 30.300 0.018 0.000 1.003 488 R HN 0.282 nan 8.270 nan 0.000 0.454 489 V N 5.083 125.012 119.914 0.025 0.000 2.448 489 V HA 0.436 4.558 4.120 0.004 0.000 0.295 489 V C -0.450 175.657 176.094 0.021 0.000 1.025 489 V CA -0.569 61.749 62.300 0.031 0.000 0.859 489 V CB 1.589 33.428 31.823 0.026 0.000 0.988 489 V HN 0.811 nan 8.190 nan 0.000 0.431 490 E N 2.923 123.137 120.200 0.023 0.000 2.287 490 E HA 0.693 5.046 4.350 0.004 0.000 0.274 490 E C -0.156 176.449 176.600 0.008 0.000 0.896 490 E CA -0.471 55.937 56.400 0.013 0.000 0.788 490 E CB 2.443 32.151 29.700 0.013 0.000 1.244 490 E HN 0.988 nan 8.360 nan 0.000 0.408 491 G N 2.412 111.212 108.800 0.000 0.000 2.321 491 G HA2 0.094 4.056 3.960 0.004 0.000 0.298 491 G HA3 0.094 4.056 3.960 0.004 0.000 0.298 491 G C -1.510 173.383 174.900 -0.010 0.000 1.385 491 G CA -1.070 44.027 45.100 -0.006 0.000 0.856 491 G HN 0.373 nan 8.290 nan 0.000 0.584 492 N N -0.063 118.628 118.700 -0.015 0.000 2.482 492 N HA 0.463 5.205 4.740 0.004 0.000 0.279 492 N C -0.215 175.281 175.510 -0.022 0.000 1.182 492 N CA -0.607 52.433 53.050 -0.017 0.000 0.969 492 N CB 1.025 39.501 38.487 -0.018 0.000 1.201 492 N HN 0.450 nan 8.380 nan 0.000 0.523 493 K N 1.089 121.476 120.400 -0.022 0.000 2.351 493 K HA 0.182 4.504 4.320 0.004 0.000 0.287 493 K C -0.709 175.871 176.600 -0.034 0.000 1.068 493 K CA -0.146 56.124 56.287 -0.027 0.000 0.998 493 K CB -0.278 32.208 32.500 -0.024 0.000 0.968 493 K HN 0.352 nan 8.250 nan 0.000 0.464 494 V N 0.227 120.116 119.914 -0.042 0.000 3.007 494 V HA 0.493 4.615 4.120 0.004 0.000 0.311 494 V C -0.563 175.492 176.094 -0.065 0.000 1.120 494 V CA -1.349 60.921 62.300 -0.050 0.000 0.980 494 V CB 2.094 33.889 31.823 -0.048 0.000 1.033 494 V HN 0.618 nan 8.190 nan 0.000 0.429 495 R N 2.093 122.550 120.500 -0.072 0.000 2.471 495 R HA 0.599 4.941 4.340 0.004 0.000 0.292 495 R C -0.558 175.690 176.300 -0.088 0.000 1.192 495 R CA -0.151 55.892 56.100 -0.096 0.000 1.257 495 R CB 0.817 31.047 30.300 -0.116 0.000 1.130 495 R HN 0.938 nan 8.270 nan 0.000 0.558 496 E N 1.889 122.034 120.200 -0.091 0.000 2.335 496 E HA 0.241 4.593 4.350 0.004 0.000 0.280 496 E C -1.296 175.234 176.600 -0.118 0.000 0.918 496 E CA -1.005 55.343 56.400 -0.085 0.000 0.765 496 E CB 1.728 31.386 29.700 -0.070 0.000 1.218 496 E HN 0.115 nan 8.360 nan 0.000 0.425 497 R N 1.606 122.040 120.500 -0.110 0.000 2.390 497 R HA 0.230 4.572 4.340 0.004 0.000 0.291 497 R C -0.516 175.666 176.300 -0.198 0.000 1.070 497 R CA 0.064 56.059 56.100 -0.175 0.000 1.014 497 R CB 1.247 31.498 30.300 -0.082 0.000 1.007 497 R HN 0.386 nan 8.270 nan 0.000 0.466 498 S N 4.683 120.158 115.700 -0.374 0.000 2.549 498 S HA 0.121 4.594 4.470 0.004 0.000 0.286 498 S C -1.548 173.021 174.600 -0.052 0.000 1.314 498 S CA -1.250 56.821 58.200 -0.216 0.000 1.062 498 S CB 0.680 63.714 63.200 -0.277 0.000 0.865 498 S HN 0.544 nan 8.310 nan 0.000 0.498 499 P HA -0.098 nan 4.420 nan 0.000 0.219 499 P C 1.515 178.863 177.300 0.080 0.000 1.146 499 P CA 1.167 64.286 63.100 0.032 0.000 0.808 499 P CB -0.146 31.562 31.700 0.013 0.000 0.779 500 S N -1.908 113.877 115.700 0.142 0.000 2.442 500 S HA -0.120 4.353 4.470 0.004 0.000 0.236 500 S C 1.471 176.231 174.600 0.267 0.000 1.007 500 S CA 0.890 59.206 58.200 0.194 0.000 0.965 500 S CB -1.400 61.944 63.200 0.240 0.000 0.773 500 S HN -0.026 nan 8.310 nan 0.000 0.504 501 F N 2.205 122.145 119.950 -0.016 0.000 2.789 501 F HA 0.392 4.922 4.527 0.004 0.000 0.300 501 F C 2.060 177.794 175.800 -0.111 0.000 1.132 501 F CA -0.790 57.195 58.000 -0.025 0.000 1.404 501 F CB -0.659 38.357 39.000 0.027 0.000 1.114 501 F HN 0.353 nan 8.300 nan 0.000 0.584 502 G N 0.243 109.045 108.800 0.004 0.000 3.375 502 G HA2 -0.003 3.959 3.960 0.004 0.000 0.247 502 G HA3 -0.003 3.959 3.960 0.004 0.000 0.247 502 G C 0.137 174.612 174.900 -0.708 0.000 1.343 502 G CA 0.156 45.084 45.100 -0.288 0.000 1.368 502 G HN 0.053 nan 8.290 nan 0.000 0.549 503 E N 0.022 119.757 120.200 -0.776 0.000 2.241 503 E HA 0.331 4.683 4.350 0.004 0.000 0.263 503 E C -0.769 175.403 176.600 -0.714 0.000 0.882 503 E CA -0.806 55.205 56.400 -0.649 0.000 0.769 503 E CB 1.393 30.950 29.700 -0.239 0.000 1.185 503 E HN 0.228 nan 8.360 nan 0.000 0.415 504 Y N 2.749 122.844 120.300 -0.341 0.000 2.453 504 Y HA 0.180 4.732 4.550 0.004 0.000 0.247 504 Y C 0.720 176.359 175.900 -0.434 0.000 1.124 504 Y CA -0.113 57.702 58.100 -0.476 0.000 1.243 504 Y CB 0.371 38.379 38.460 -0.753 0.000 1.213 504 Y HN 0.438 nan 8.280 nan 0.000 0.523 505 Y N -1.293 119.088 120.300 0.135 0.000 2.444 505 Y HA 0.093 4.646 4.550 0.005 0.000 0.252 505 Y C 2.386 178.345 175.900 0.099 0.000 1.091 505 Y CA 0.103 58.278 58.100 0.125 0.000 1.276 505 Y CB -0.305 38.235 38.460 0.133 0.000 1.170 505 Y HN 0.068 nan 8.280 nan 0.000 0.517 506 S N -0.837 114.993 115.700 0.216 0.000 2.402 506 S HA -0.181 4.291 4.470 0.004 0.000 0.229 506 S C 1.434 176.114 174.600 0.133 0.000 1.021 506 S CA 1.502 59.813 58.200 0.184 0.000 0.974 506 S CB -0.517 62.798 63.200 0.192 0.000 0.800 506 S HN 0.420 nan 8.310 nan 0.000 0.484 507 H N 2.853 121.834 119.070 -0.148 0.000 2.363 507 H HA 0.190 4.749 4.556 0.004 0.000 0.301 507 H C -0.642 174.471 175.328 -0.358 0.000 1.074 507 H CA 1.294 57.102 56.048 -0.400 0.000 1.354 507 H CB -1.728 27.585 29.762 -0.749 0.000 1.397 507 H HN 0.385 nan 8.280 nan 0.000 0.516 508 P HA -0.173 nan 4.420 nan 0.000 0.216 508 P C 1.495 178.976 177.300 0.302 0.000 1.153 508 P CA 1.697 64.933 63.100 0.228 0.000 0.858 508 P CB 0.097 31.964 31.700 0.278 0.000 0.789 509 R N -0.431 120.197 120.500 0.214 0.000 2.081 509 R HA -0.135 4.208 4.340 0.004 0.000 0.235 509 R C 2.170 178.594 176.300 0.205 0.000 1.131 509 R CA 1.208 57.438 56.100 0.218 0.000 0.960 509 R CB -1.093 29.300 30.300 0.155 0.000 0.856 509 R HN 0.061 nan 8.270 nan 0.000 0.436 510 L N 0.466 121.755 121.223 0.110 0.000 2.042 510 L HA -0.144 4.199 4.340 0.004 0.000 0.210 510 L C 1.978 178.906 176.870 0.097 0.000 1.076 510 L CA 1.743 56.613 54.840 0.051 0.000 0.749 510 L CB -0.707 41.309 42.059 -0.072 0.000 0.893 510 L HN 0.245 nan 8.230 nan 0.000 0.432 511 F N -0.770 119.209 119.950 0.048 0.000 2.075 511 F HA -0.285 4.246 4.527 0.005 0.000 0.297 511 F C 2.351 178.155 175.800 0.008 0.000 1.113 511 F CA 2.226 60.236 58.000 0.018 0.000 1.218 511 F CB -0.682 38.368 39.000 0.082 0.000 0.984 511 F HN 0.371 nan 8.300 nan 0.000 0.472 512 W N 1.488 122.758 121.300 -0.050 0.000 2.317 512 W HA -0.273 4.388 4.660 0.002 0.000 0.318 512 W C 1.823 178.211 176.519 -0.218 0.000 1.227 512 W CA 1.980 59.242 57.345 -0.138 0.000 1.269 512 W CB -0.796 28.682 29.460 0.031 0.000 1.155 512 W HN 0.100 nan 8.180 nan 0.000 0.484 513 L N 1.110 122.251 121.223 -0.138 0.000 2.362 513 L HA -0.163 4.180 4.340 0.004 0.000 0.219 513 L C 2.326 179.012 176.870 -0.307 0.000 1.134 513 L CA 1.087 55.783 54.840 -0.240 0.000 0.807 513 L CB -0.662 41.378 42.059 -0.032 0.000 0.927 513 L HN -0.117 nan 8.230 nan 0.000 0.447 514 S N -1.468 114.033 115.700 -0.332 0.000 2.558 514 S HA 0.043 4.515 4.470 0.004 0.000 0.217 514 S C 0.758 175.082 174.600 -0.460 0.000 0.975 514 S CA 0.093 58.095 58.200 -0.329 0.000 0.912 514 S CB 0.031 63.075 63.200 -0.260 0.000 0.776 514 S HN 0.311 nan 8.310 nan 0.000 0.526 515 Q N 2.185 121.603 119.800 -0.637 0.000 2.312 515 Q HA 0.277 4.620 4.340 0.004 0.000 0.236 515 Q C 0.644 176.261 176.000 -0.638 0.000 0.965 515 Q CA -0.071 55.322 55.803 -0.682 0.000 0.894 515 Q CB 0.286 28.542 28.738 -0.802 0.000 1.225 515 Q HN 0.422 nan 8.270 nan 0.000 0.478 516 T N -2.020 112.115 114.554 -0.699 0.000 2.766 516 T HA 0.159 4.512 4.350 0.004 0.000 0.295 516 T C -1.751 172.479 174.700 -0.784 0.000 1.024 516 T CA -1.348 60.292 62.100 -0.767 0.000 1.018 516 T CB 0.273 68.427 68.868 -1.191 0.000 1.002 516 T HN 0.222 nan 8.240 nan 0.000 0.532 517 P HA -0.028 nan 4.420 nan 0.000 0.215 517 P C 1.438 178.519 177.300 -0.365 0.000 1.153 517 P CA 1.081 63.948 63.100 -0.389 0.000 0.853 517 P CB -0.266 31.325 31.700 -0.182 0.000 0.788 518 F N -0.164 119.581 119.950 -0.340 0.000 2.259 518 F HA 0.068 4.597 4.527 0.003 0.000 0.298 518 F C 1.867 177.294 175.800 -0.622 0.000 1.088 518 F CA 0.792 58.518 58.000 -0.456 0.000 1.358 518 F CB -1.544 37.179 39.000 -0.463 0.000 1.040 518 F HN -0.113 nan 8.300 nan 0.000 0.505 519 E N 0.618 120.266 120.200 -0.921 0.000 2.077 519 E HA -0.211 4.141 4.350 0.004 0.000 0.193 519 E C 2.217 178.623 176.600 -0.323 0.000 0.989 519 E CA 1.448 57.533 56.400 -0.525 0.000 0.800 519 E CB -0.265 29.068 29.700 -0.612 0.000 0.746 519 E HN 0.630 nan 8.360 nan 0.000 0.452 520 Q N 0.261 119.783 119.800 -0.465 0.000 2.084 520 Q HA -0.182 4.161 4.340 0.004 0.000 0.202 520 Q C 2.275 178.294 176.000 0.033 0.000 0.978 520 Q CA 1.094 56.655 55.803 -0.402 0.000 0.844 520 Q CB -0.166 28.067 28.738 -0.840 0.000 0.898 520 Q HN 0.139 nan 8.270 nan 0.000 0.426 521 R N 0.216 120.699 120.500 -0.027 0.000 2.081 521 R HA -0.174 4.169 4.340 0.004 0.000 0.235 521 R C 1.757 178.207 176.300 0.249 0.000 1.131 521 R CA 1.655 57.822 56.100 0.112 0.000 0.960 521 R CB -0.174 30.153 30.300 0.045 0.000 0.856 521 R HN 0.481 nan 8.270 nan 0.000 0.436 522 H N -0.396 118.766 119.070 0.154 0.000 2.421 522 H HA -0.076 4.483 4.556 0.005 0.000 0.298 522 H C 2.169 177.608 175.328 0.186 0.000 1.087 522 H CA 1.306 57.458 56.048 0.173 0.000 1.330 522 H CB 0.049 29.922 29.762 0.185 0.000 1.388 522 H HN 0.234 nan 8.280 nan 0.000 0.526 523 I N 0.029 120.810 120.570 0.352 0.000 2.202 523 I HA -0.241 3.931 4.170 0.004 0.000 0.242 523 I C 2.294 178.684 176.117 0.455 0.000 1.091 523 I CA 0.678 62.216 61.300 0.398 0.000 1.368 523 I CB -0.142 38.188 38.000 0.550 0.000 1.058 523 I HN 0.079 nan 8.210 nan 0.000 0.410 524 V N 1.051 121.227 119.914 0.437 0.000 2.282 524 V HA -0.337 3.786 4.120 0.004 0.000 0.249 524 V C 2.053 178.310 176.094 0.272 0.000 1.057 524 V CA 2.182 64.685 62.300 0.338 0.000 1.032 524 V CB -0.684 31.300 31.823 0.268 0.000 0.645 524 V HN 0.427 nan 8.190 nan 0.000 0.447 525 D N 0.303 120.848 120.400 0.242 0.000 2.178 525 D HA -0.093 4.549 4.640 0.004 0.000 0.201 525 D C 2.158 178.523 176.300 0.107 0.000 0.980 525 D CA 1.496 55.604 54.000 0.181 0.000 0.842 525 D CB -0.594 40.322 40.800 0.194 0.000 0.948 525 D HN 0.486 nan 8.370 nan 0.000 0.472 526 G N 0.091 108.941 108.800 0.083 0.000 2.433 526 G HA2 -0.245 3.717 3.960 0.004 0.000 0.216 526 G HA3 -0.245 3.717 3.960 0.004 0.000 0.216 526 G C 1.454 176.350 174.900 -0.006 0.000 1.186 526 G CA 0.210 45.268 45.100 -0.070 0.000 0.779 526 G HN 0.167 nan 8.290 nan 0.000 0.543 527 F N 1.823 121.807 119.950 0.057 0.000 2.102 527 F HA -0.076 4.453 4.527 0.004 0.000 0.298 527 F C 3.181 178.898 175.800 -0.139 0.000 1.105 527 F CA 1.609 59.580 58.000 -0.049 0.000 1.239 527 F CB -0.415 38.562 39.000 -0.038 0.000 0.991 527 F HN 0.082 nan 8.300 nan 0.000 0.474 528 S N -0.064 115.722 115.700 0.144 0.000 2.368 528 S HA -0.225 4.247 4.470 0.004 0.000 0.225 528 S C 1.873 176.489 174.600 0.026 0.000 1.030 528 S CA 1.405 59.638 58.200 0.054 0.000 0.999 528 S CB -0.816 62.438 63.200 0.089 0.000 0.844 528 S HN 0.408 nan 8.310 nan 0.000 0.459 529 F N 2.556 122.454 119.950 -0.087 0.000 2.113 529 F HA -0.090 4.439 4.527 0.003 0.000 0.297 529 F C 2.334 178.065 175.800 -0.114 0.000 1.103 529 F CA 1.474 59.410 58.000 -0.106 0.000 1.248 529 F CB -0.335 38.532 39.000 -0.222 0.000 0.999 529 F HN 0.119 nan 8.300 nan 0.000 0.475 530 E N 0.662 120.861 120.200 -0.002 0.000 2.051 530 E HA -0.221 4.131 4.350 0.004 0.000 0.192 530 E C 2.358 178.780 176.600 -0.296 0.000 0.991 530 E CA 1.735 58.103 56.400 -0.054 0.000 0.799 530 E CB -0.574 29.243 29.700 0.194 0.000 0.748 530 E HN 0.479 nan 8.360 nan 0.000 0.449 531 L N 0.989 121.946 121.223 -0.443 0.000 2.201 531 L HA -0.116 4.227 4.340 0.004 0.000 0.212 531 L C 2.426 179.132 176.870 -0.273 0.000 1.105 531 L CA 0.551 55.108 54.840 -0.471 0.000 0.775 531 L CB -0.216 41.573 42.059 -0.449 0.000 0.913 531 L HN 0.008 nan 8.230 nan 0.000 0.440 532 S N -0.249 115.305 115.700 -0.244 0.000 2.447 532 S HA -0.125 4.347 4.470 0.004 0.000 0.233 532 S C 1.692 176.175 174.600 -0.194 0.000 1.006 532 S CA 1.081 59.161 58.200 -0.199 0.000 0.957 532 S CB -0.079 63.000 63.200 -0.202 0.000 0.773 532 S HN 0.409 nan 8.310 nan 0.000 0.507 533 K N 0.974 121.235 120.400 -0.231 0.000 2.404 533 K HA 0.175 4.498 4.320 0.004 0.000 0.194 533 K C -0.355 176.238 176.600 -0.012 0.000 1.023 533 K CA 0.020 56.230 56.287 -0.127 0.000 1.094 533 K CB 0.416 32.824 32.500 -0.154 0.000 0.841 533 K HN 0.110 nan 8.250 nan 0.000 0.523 534 V N 1.952 121.840 119.914 -0.043 0.000 2.455 534 V HA -0.027 4.095 4.120 0.004 0.000 0.273 534 V C 1.418 177.499 176.094 -0.022 0.000 1.045 534 V CA 0.000 62.301 62.300 0.000 0.000 0.976 534 V CB 1.396 33.184 31.823 -0.058 0.000 0.993 534 V HN -0.019 nan 8.190 nan 0.000 0.475 535 V N 5.127 125.050 119.914 0.015 0.000 2.488 535 V HA -0.013 4.110 4.120 0.004 0.000 0.246 535 V C 1.304 177.387 176.094 -0.018 0.000 1.046 535 V CA 1.158 63.464 62.300 0.009 0.000 1.053 535 V CB -0.467 31.381 31.823 0.040 0.000 0.679 535 V HN 0.743 nan 8.190 nan 0.000 0.458 536 R N 0.987 121.452 120.500 -0.058 0.000 2.248 536 R HA 0.189 4.531 4.340 0.004 0.000 0.337 536 R C -1.691 174.492 176.300 -0.195 0.000 1.085 536 R CA -1.449 54.591 56.100 -0.099 0.000 0.934 536 R CB 0.705 30.892 30.300 -0.189 0.000 1.034 536 R HN 0.241 nan 8.270 nan 0.000 0.465 537 P HA -0.204 nan 4.420 nan 0.000 0.218 537 P C 0.773 178.034 177.300 -0.064 0.000 1.148 537 P CA 1.170 64.238 63.100 -0.053 0.000 0.822 537 P CB -0.023 31.683 31.700 0.010 0.000 0.784 538 Y N -1.076 119.222 120.300 -0.003 0.000 2.274 538 Y HA -0.121 4.431 4.550 0.004 0.000 0.290 538 Y C 1.987 177.890 175.900 0.004 0.000 1.145 538 Y CA 0.802 58.901 58.100 -0.002 0.000 1.203 538 Y CB -1.828 36.632 38.460 -0.000 0.000 0.984 538 Y HN -0.123 nan 8.280 nan 0.000 0.533 539 I N 0.930 121.043 120.570 -0.762 0.000 2.226 539 I HA -0.263 3.910 4.170 0.004 0.000 0.245 539 I C 2.542 178.559 176.117 -0.167 0.000 1.100 539 I CA 1.524 62.577 61.300 -0.412 0.000 1.374 539 I CB -0.422 37.335 38.000 -0.405 0.000 1.057 539 I HN 0.201 nan 8.210 nan 0.000 0.413 540 R N 0.843 121.237 120.500 -0.176 0.000 2.091 540 R HA -0.191 4.152 4.340 0.004 0.000 0.238 540 R C 2.137 178.378 176.300 -0.098 0.000 1.136 540 R CA 1.545 57.554 56.100 -0.152 0.000 0.959 540 R CB -0.414 29.797 30.300 -0.149 0.000 0.856 540 R HN 0.460 nan 8.270 nan 0.000 0.437 541 E N 0.408 120.575 120.200 -0.056 0.000 2.077 541 E HA -0.155 4.198 4.350 0.004 0.000 0.193 541 E C 2.117 178.716 176.600 -0.001 0.000 0.989 541 E CA 1.009 57.398 56.400 -0.019 0.000 0.800 541 E CB -0.010 29.704 29.700 0.023 0.000 0.746 541 E HN 0.287 nan 8.360 nan 0.000 0.452 542 R N 0.301 120.815 120.500 0.023 0.000 2.115 542 R HA -0.077 4.265 4.340 0.004 0.000 0.230 542 R C 2.365 178.684 176.300 0.031 0.000 1.111 542 R CA 0.936 57.063 56.100 0.045 0.000 0.976 542 R CB -0.184 30.165 30.300 0.080 0.000 0.870 542 R HN 0.061 nan 8.270 nan 0.000 0.445 543 V N 0.354 120.276 119.914 0.013 0.000 2.379 543 V HA -0.178 3.945 4.120 0.004 0.000 0.245 543 V C 2.293 178.356 176.094 -0.051 0.000 1.044 543 V CA 1.374 63.689 62.300 0.025 0.000 1.036 543 V CB -0.240 31.605 31.823 0.036 0.000 0.664 543 V HN 0.103 nan 8.190 nan 0.000 0.453 544 V N 0.607 120.467 119.914 -0.089 0.000 2.392 544 V HA -0.319 3.804 4.120 0.004 0.000 0.249 544 V C 2.307 178.354 176.094 -0.077 0.000 1.059 544 V CA 2.483 64.710 62.300 -0.122 0.000 1.051 544 V CB -0.675 31.082 31.823 -0.109 0.000 0.658 544 V HN 0.655 nan 8.190 nan 0.000 0.455 545 D N -0.777 119.612 120.400 -0.019 0.000 2.123 545 D HA -0.197 4.445 4.640 0.004 0.000 0.196 545 D C 2.282 178.657 176.300 0.125 0.000 0.992 545 D CA 1.180 55.202 54.000 0.037 0.000 0.833 545 D CB -0.025 40.817 40.800 0.070 0.000 0.954 545 D HN 0.335 nan 8.370 nan 0.000 0.455 546 Q N -0.167 119.685 119.800 0.086 0.000 2.124 546 Q HA -0.101 4.241 4.340 0.004 0.000 0.202 546 Q C 2.560 178.595 176.000 0.057 0.000 0.977 546 Q CA 0.726 56.594 55.803 0.108 0.000 0.850 546 Q CB -0.319 28.489 28.738 0.118 0.000 0.901 546 Q HN 0.464 nan 8.270 nan 0.000 0.429 547 L N 0.072 121.255 121.223 -0.066 0.000 2.191 547 L HA -0.113 4.230 4.340 0.004 0.000 0.212 547 L C 2.324 179.079 176.870 -0.191 0.000 1.103 547 L CA 0.845 55.571 54.840 -0.190 0.000 0.769 547 L CB -0.625 41.212 42.059 -0.370 0.000 0.908 547 L HN 0.094 nan 8.230 nan 0.000 0.438 548 A N -0.727 122.002 122.820 -0.153 0.000 2.121 548 A HA -0.186 4.136 4.320 0.004 0.000 0.218 548 A C 1.743 179.148 177.584 -0.298 0.000 1.154 548 A CA 1.156 53.065 52.037 -0.213 0.000 0.679 548 A CB -0.677 18.199 19.000 -0.207 0.000 0.795 548 A HN 0.439 nan 8.150 nan 0.000 0.458 549 H N -1.133 117.729 119.070 -0.347 0.000 2.548 549 H HA 0.247 4.805 4.556 0.005 0.000 0.268 549 H C 1.580 176.640 175.328 -0.447 0.000 0.975 549 H CA 1.044 56.752 56.048 -0.568 0.000 1.195 549 H CB 0.074 29.073 29.762 -1.272 0.000 1.397 549 H HN 0.504 nan 8.280 nan 0.000 0.572 550 I N -1.164 119.316 120.570 -0.152 0.000 2.681 550 I HA 0.085 4.257 4.170 0.004 0.000 0.247 550 I C -0.108 175.941 176.117 -0.113 0.000 1.091 550 I CA 0.453 61.727 61.300 -0.044 0.000 1.442 550 I CB 0.626 38.628 38.000 0.003 0.000 1.219 550 I HN 0.090 nan 8.210 nan 0.000 0.451 551 D N -0.473 119.790 120.400 -0.228 0.000 2.931 551 D HA 0.184 4.827 4.640 0.004 0.000 0.215 551 D C 0.243 176.385 176.300 -0.263 0.000 1.297 551 D CA -0.383 53.467 54.000 -0.251 0.000 0.892 551 D CB 1.558 42.093 40.800 -0.442 0.000 1.642 551 D HN -0.018 nan 8.370 nan 0.000 0.560 552 L N 2.666 123.790 121.223 -0.166 0.000 2.046 552 L HA -0.099 4.243 4.340 0.004 0.000 0.208 552 L C 1.413 178.205 176.870 -0.130 0.000 1.077 552 L CA 1.666 56.421 54.840 -0.141 0.000 0.747 552 L CB -0.297 41.708 42.059 -0.090 0.000 0.896 552 L HN 0.592 nan 8.230 nan 0.000 0.432 553 T N 0.531 115.032 114.554 -0.087 0.000 2.708 553 T HA -0.227 4.126 4.350 0.004 0.000 0.266 553 T C 1.754 176.392 174.700 -0.102 0.000 1.037 553 T CA 1.661 63.749 62.100 -0.020 0.000 1.146 553 T CB -0.351 68.596 68.868 0.131 0.000 0.865 553 T HN 0.272 nan 8.240 nan 0.000 0.435 554 L N 1.655 122.665 121.223 -0.355 0.000 2.017 554 L HA 0.049 4.391 4.340 0.004 0.000 0.208 554 L C 2.603 179.255 176.870 -0.364 0.000 1.073 554 L CA 2.095 56.579 54.840 -0.592 0.000 0.745 554 L CB -1.183 40.104 42.059 -1.285 0.000 0.894 554 L HN 0.211 nan 8.230 nan 0.000 0.432 555 A N -0.972 121.646 122.820 -0.337 0.000 1.883 555 A HA -0.277 4.046 4.320 0.004 0.000 0.217 555 A C 2.234 179.717 177.584 -0.167 0.000 1.186 555 A CA 2.019 53.904 52.037 -0.253 0.000 0.624 555 A CB -0.727 18.140 19.000 -0.222 0.000 0.822 555 A HN 0.694 nan 8.150 nan 0.000 0.444 556 Q N -0.913 118.812 119.800 -0.126 0.000 2.084 556 Q HA -0.124 4.218 4.340 0.004 0.000 0.202 556 Q C 2.457 178.426 176.000 -0.052 0.000 0.978 556 Q CA 1.384 57.141 55.803 -0.075 0.000 0.844 556 Q CB -0.366 28.342 28.738 -0.050 0.000 0.898 556 Q HN 0.697 nan 8.270 nan 0.000 0.426 557 A N 0.209 123.005 122.820 -0.041 0.000 1.930 557 A HA -0.122 4.200 4.320 0.004 0.000 0.217 557 A C 2.293 179.873 177.584 -0.006 0.000 1.175 557 A CA 1.238 53.277 52.037 0.003 0.000 0.627 557 A CB -0.542 18.490 19.000 0.052 0.000 0.815 557 A HN 0.207 nan 8.150 nan 0.000 0.443 558 V N -0.194 119.689 119.914 -0.053 0.000 2.358 558 V HA -0.199 3.924 4.120 0.004 0.000 0.246 558 V C 3.055 179.113 176.094 -0.061 0.000 1.047 558 V CA 1.756 64.022 62.300 -0.057 0.000 1.035 558 V CB -1.233 30.505 31.823 -0.142 0.000 0.658 558 V HN 0.600 nan 8.190 nan 0.000 0.452 559 A N -0.131 122.642 122.820 -0.078 0.000 1.908 559 A HA -0.306 4.016 4.320 0.004 0.000 0.218 559 A C 2.352 179.913 177.584 -0.038 0.000 1.181 559 A CA 2.375 54.373 52.037 -0.065 0.000 0.627 559 A CB -0.533 18.426 19.000 -0.068 0.000 0.818 559 A HN 0.522 nan 8.150 nan 0.000 0.445 560 K N -0.523 119.863 120.400 -0.024 0.000 2.057 560 K HA -0.173 4.149 4.320 0.004 0.000 0.207 560 K C 1.436 178.037 176.600 0.001 0.000 1.049 560 K CA 1.519 57.801 56.287 -0.007 0.000 0.931 560 K CB -0.205 32.297 32.500 0.004 0.000 0.714 560 K HN 0.425 nan 8.250 nan 0.000 0.440 561 N N 0.561 119.265 118.700 0.006 0.000 2.453 561 N HA -0.104 4.638 4.740 0.004 0.000 0.183 561 N C 1.067 176.576 175.510 -0.002 0.000 1.041 561 N CA 0.704 53.763 53.050 0.016 0.000 0.900 561 N CB 0.094 38.602 38.487 0.035 0.000 0.961 561 N HN 0.143 nan 8.380 nan 0.000 0.443 562 L N -0.616 120.594 121.223 -0.022 0.000 2.585 562 L HA 0.287 4.630 4.340 0.004 0.000 0.226 562 L C 1.259 178.112 176.870 -0.027 0.000 1.113 562 L CA 0.236 55.054 54.840 -0.036 0.000 0.876 562 L CB -0.751 41.272 42.059 -0.061 0.000 1.072 562 L HN 0.214 nan 8.230 nan 0.000 0.468 563 G N 0.413 109.203 108.800 -0.017 0.000 2.160 563 G HA2 -0.268 3.694 3.960 0.004 0.000 0.244 563 G HA3 -0.268 3.694 3.960 0.004 0.000 0.244 563 G C 0.306 175.196 174.900 -0.017 0.000 1.022 563 G CA 0.263 45.355 45.100 -0.012 0.000 0.741 563 G HN 0.296 nan 8.290 nan 0.000 0.508 564 I N 0.020 120.576 120.570 -0.024 0.000 2.460 564 I HA 0.433 4.606 4.170 0.004 0.000 0.298 564 I C 0.283 176.384 176.117 -0.027 0.000 0.989 564 I CA -0.737 60.547 61.300 -0.027 0.000 1.173 564 I CB 1.695 39.672 38.000 -0.039 0.000 1.338 564 I HN 0.008 nan 8.210 nan 0.000 0.456 565 E N 5.243 125.429 120.200 -0.024 0.000 2.151 565 E HA 0.339 4.691 4.350 0.004 0.000 0.275 565 E C -1.014 175.568 176.600 -0.031 0.000 0.936 565 E CA -0.894 55.491 56.400 -0.025 0.000 0.777 565 E CB 1.748 31.437 29.700 -0.018 0.000 1.108 565 E HN 0.290 nan 8.360 nan 0.000 0.401 566 L N 2.954 124.153 121.223 -0.039 0.000 2.461 566 L HA 0.080 4.422 4.340 0.004 0.000 0.272 566 L C 1.286 178.132 176.870 -0.039 0.000 1.197 566 L CA 0.477 55.289 54.840 -0.047 0.000 0.836 566 L CB 0.297 42.319 42.059 -0.062 0.000 1.105 566 L HN 0.663 nan 8.230 nan 0.000 0.477 567 T N -1.558 112.972 114.554 -0.040 0.000 2.816 567 T HA 0.112 4.464 4.350 0.004 0.000 0.282 567 T C 1.235 175.911 174.700 -0.040 0.000 0.993 567 T CA -0.442 61.639 62.100 -0.033 0.000 0.994 567 T CB 0.867 69.719 68.868 -0.028 0.000 1.025 567 T HN 0.652 nan 8.240 nan 0.000 0.529 568 D N 0.807 121.188 120.400 -0.033 0.000 2.126 568 D HA -0.230 4.412 4.640 0.004 0.000 0.190 568 D C 1.238 177.512 176.300 -0.043 0.000 1.001 568 D CA 1.532 55.513 54.000 -0.033 0.000 0.841 568 D CB -0.452 40.333 40.800 -0.025 0.000 0.949 568 D HN 0.567 nan 8.370 nan 0.000 0.446 569 D N 0.971 121.346 120.400 -0.042 0.000 2.097 569 D HA -0.129 4.514 4.640 0.004 0.000 0.195 569 D C 2.388 178.638 176.300 -0.084 0.000 0.989 569 D CA 0.927 54.895 54.000 -0.053 0.000 0.827 569 D CB -0.257 40.520 40.800 -0.040 0.000 0.966 569 D HN 0.427 nan 8.370 nan 0.000 0.456 570 Q N -0.244 119.504 119.800 -0.087 0.000 2.124 570 Q HA -0.105 4.237 4.340 0.004 0.000 0.202 570 Q C 2.047 177.968 176.000 -0.132 0.000 0.977 570 Q CA 0.505 56.232 55.803 -0.127 0.000 0.850 570 Q CB 0.023 28.699 28.738 -0.103 0.000 0.901 570 Q HN 0.153 nan 8.270 nan 0.000 0.429 571 L N 1.038 122.205 121.223 -0.094 0.000 2.265 571 L HA -0.128 4.214 4.340 0.004 0.000 0.215 571 L C 1.150 177.970 176.870 -0.084 0.000 1.117 571 L CA 1.476 56.266 54.840 -0.083 0.000 0.782 571 L CB -0.363 41.661 42.059 -0.058 0.000 0.914 571 L HN 0.222 nan 8.230 nan 0.000 0.441 572 N N -0.921 117.727 118.700 -0.086 0.000 2.280 572 N HA 0.156 4.899 4.740 0.004 0.000 0.192 572 N C 0.388 175.837 175.510 -0.101 0.000 1.109 572 N CA 0.004 53.007 53.050 -0.077 0.000 0.855 572 N CB 0.299 38.752 38.487 -0.057 0.000 0.974 572 N HN 0.232 nan 8.380 nan 0.000 0.482 573 I N 1.677 122.153 120.570 -0.155 0.000 2.662 573 I HA -0.073 4.100 4.170 0.004 0.000 0.285 573 I C 0.386 176.414 176.117 -0.149 0.000 1.161 573 I CA 0.443 61.620 61.300 -0.206 0.000 1.415 573 I CB 0.125 37.884 38.000 -0.403 0.000 1.385 573 I HN -0.148 nan 8.210 nan 0.000 0.552 574 T N 8.381 122.875 114.554 -0.101 0.000 2.817 574 T HA 0.141 4.493 4.350 0.004 0.000 0.295 574 T C -1.977 172.692 174.700 -0.052 0.000 0.958 574 T CA -0.806 61.260 62.100 -0.056 0.000 1.157 574 T CB 0.072 68.925 68.868 -0.024 0.000 0.898 574 T HN 0.385 nan 8.240 nan 0.000 0.536 575 P HA 0.171 nan 4.420 nan 0.000 0.267 575 P C -2.340 174.977 177.300 0.028 0.000 1.200 575 P CA -1.253 61.838 63.100 -0.015 0.000 0.772 575 P CB -0.419 31.281 31.700 0.001 0.000 0.855 576 P HA 0.214 nan 4.420 nan 0.000 0.272 576 P C -2.438 174.917 177.300 0.091 0.000 1.230 576 P CA -1.361 61.806 63.100 0.113 0.000 0.788 576 P CB -0.949 30.864 31.700 0.189 0.000 0.949 577 P HA 0.117 nan 4.420 nan 0.000 0.272 577 P C -0.115 177.235 177.300 0.084 0.000 1.230 577 P CA 0.166 63.313 63.100 0.080 0.000 0.788 577 P CB 0.416 32.164 31.700 0.080 0.000 0.949 578 D N -0.198 120.244 120.400 0.070 0.000 2.371 578 D HA 0.104 4.746 4.640 0.004 0.000 0.242 578 D C -0.147 176.201 176.300 0.080 0.000 1.218 578 D CA 0.011 54.049 54.000 0.063 0.000 0.945 578 D CB 0.701 41.531 40.800 0.050 0.000 1.137 578 D HN 0.008 nan 8.370 nan 0.000 0.464 579 V N 2.128 122.080 119.914 0.063 0.000 2.353 579 V HA 0.043 4.165 4.120 0.004 0.000 0.264 579 V C 0.231 176.416 176.094 0.151 0.000 1.049 579 V CA -0.392 61.974 62.300 0.110 0.000 0.896 579 V CB -0.110 31.696 31.823 -0.027 0.000 1.025 579 V HN 0.592 nan 8.190 nan 0.000 0.475 580 N N 4.459 123.266 118.700 0.179 0.000 2.716 580 N HA -0.234 4.509 4.740 0.004 0.000 0.250 580 N C 1.162 176.732 175.510 0.099 0.000 1.033 580 N CA 1.122 54.260 53.050 0.147 0.000 0.727 580 N CB -0.880 37.738 38.487 0.217 0.000 0.950 580 N HN 1.290 nan 8.380 nan 0.000 0.541 581 G N -2.166 106.680 108.800 0.076 0.000 2.199 581 G HA2 -0.322 3.641 3.960 0.004 0.000 0.254 581 G HA3 -0.322 3.641 3.960 0.004 0.000 0.254 581 G C 0.101 175.031 174.900 0.050 0.000 0.982 581 G CA 0.313 45.446 45.100 0.055 0.000 0.632 581 G HN 0.387 nan 8.290 nan 0.000 0.529 582 L N 1.135 122.392 121.223 0.056 0.000 2.326 582 L HA 0.447 4.789 4.340 0.004 0.000 0.278 582 L C 1.513 178.398 176.870 0.025 0.000 1.092 582 L CA -0.205 54.658 54.840 0.039 0.000 0.810 582 L CB 1.172 43.255 42.059 0.039 0.000 1.153 582 L HN 0.214 nan 8.230 nan 0.000 0.439 583 K N 3.772 124.181 120.400 0.015 0.000 2.414 583 K HA 0.222 4.545 4.320 0.004 0.000 0.204 583 K C -0.526 176.068 176.600 -0.010 0.000 1.026 583 K CA -0.180 56.113 56.287 0.010 0.000 1.108 583 K CB 0.522 33.028 32.500 0.010 0.000 0.855 583 K HN 0.767 nan 8.250 nan 0.000 0.517 584 K N -0.594 119.797 120.400 -0.015 0.000 3.120 584 K HA 0.166 4.489 4.320 0.004 0.000 0.337 584 K C -2.318 174.268 176.600 -0.024 0.000 1.147 584 K CA -0.757 55.506 56.287 -0.040 0.000 0.901 584 K CB 0.140 32.597 32.500 -0.072 0.000 1.386 584 K HN -0.115 nan 8.250 nan 0.000 0.391 585 D N 1.752 122.134 120.400 -0.031 0.000 2.613 585 D HA 0.306 4.949 4.640 0.004 0.000 0.230 585 D C -2.183 174.106 176.300 -0.017 0.000 1.365 585 D CA -1.919 52.082 54.000 0.001 0.000 0.976 585 D CB 2.204 43.026 40.800 0.038 0.000 1.415 585 D HN 0.270 nan 8.370 nan 0.000 0.589 586 P HA -0.115 nan 4.420 nan 0.000 0.221 586 P C 1.312 178.610 177.300 -0.003 0.000 1.145 586 P CA 0.902 63.981 63.100 -0.036 0.000 0.795 586 P CB 0.158 31.846 31.700 -0.020 0.000 0.775 587 S N -1.139 114.591 115.700 0.049 0.000 2.507 587 S HA -0.051 4.422 4.470 0.004 0.000 0.235 587 S C 1.641 176.334 174.600 0.155 0.000 0.988 587 S CA 0.720 58.985 58.200 0.108 0.000 0.944 587 S CB -1.386 61.898 63.200 0.141 0.000 0.762 587 S HN 0.139 nan 8.310 nan 0.000 0.526 588 L N 1.132 122.416 121.223 0.101 0.000 2.509 588 L HA 0.238 4.580 4.340 0.004 0.000 0.222 588 L C 1.417 178.227 176.870 -0.101 0.000 1.123 588 L CA 0.040 54.950 54.840 0.116 0.000 0.856 588 L CB -0.237 41.892 42.059 0.117 0.000 0.985 588 L HN 0.309 nan 8.230 nan 0.000 0.456 589 S N -0.262 115.348 115.700 -0.150 0.000 2.562 589 S HA 0.282 4.754 4.470 0.004 0.000 0.275 589 S C 1.103 175.604 174.600 -0.164 0.000 1.281 589 S CA -0.591 57.467 58.200 -0.238 0.000 1.045 589 S CB 1.264 64.320 63.200 -0.239 0.000 0.962 589 S HN 0.172 nan 8.310 nan 0.000 0.503 590 L N 3.366 124.421 121.223 -0.280 0.000 2.109 590 L HA 0.010 4.353 4.340 0.004 0.000 0.207 590 L C 0.928 177.528 176.870 -0.451 0.000 1.086 590 L CA 1.184 55.755 54.840 -0.448 0.000 0.760 590 L CB -0.272 41.239 42.059 -0.913 0.000 0.910 590 L HN 0.777 nan 8.230 nan 0.000 0.437 591 Y N -2.255 118.052 120.300 0.011 0.000 2.453 591 Y HA 0.336 4.889 4.550 0.004 0.000 0.247 591 Y C 2.142 178.062 175.900 0.034 0.000 1.124 591 Y CA -0.116 58.035 58.100 0.084 0.000 1.243 591 Y CB -0.498 38.060 38.460 0.164 0.000 1.213 591 Y HN -0.032 nan 8.280 nan 0.000 0.523 592 A N 0.889 123.734 122.820 0.041 0.000 1.892 592 A HA -0.130 4.192 4.320 0.004 0.000 0.218 592 A C 0.941 178.557 177.584 0.055 0.000 1.188 592 A CA 1.285 53.319 52.037 -0.004 0.000 0.631 592 A CB -0.823 18.126 19.000 -0.084 0.000 0.822 592 A HN 0.317 nan 8.150 nan 0.000 0.447 593 I N 0.927 121.536 120.570 0.066 0.000 2.328 593 I HA 0.251 4.424 4.170 0.004 0.000 0.287 593 I C -2.428 173.757 176.117 0.114 0.000 1.012 593 I CA -2.286 59.061 61.300 0.078 0.000 1.195 593 I CB 1.505 39.540 38.000 0.058 0.000 1.350 593 I HN 0.002 nan 8.210 nan 0.000 0.464 594 P HA -0.054 nan 4.420 nan 0.000 0.257 594 P C -0.251 177.122 177.300 0.122 0.000 1.162 594 P CA 0.482 63.670 63.100 0.145 0.000 0.762 594 P CB 0.325 32.095 31.700 0.117 0.000 0.753 595 D N 1.426 121.909 120.400 0.138 0.000 2.704 595 D HA 0.065 4.708 4.640 0.004 0.000 0.291 595 D C 0.465 176.826 176.300 0.101 0.000 1.610 595 D CA -0.353 53.710 54.000 0.105 0.000 0.807 595 D CB -0.407 40.450 40.800 0.096 0.000 1.233 595 D HN 0.317 nan 8.370 nan 0.000 0.445 596 G N 0.279 109.152 108.800 0.121 0.000 2.491 596 G HA2 0.334 4.297 3.960 0.004 0.000 0.238 596 G HA3 0.334 4.297 3.960 0.004 0.000 0.238 596 G C -0.619 174.322 174.900 0.068 0.000 1.277 596 G CA 0.106 45.271 45.100 0.108 0.000 0.851 596 G HN 0.179 nan 8.290 nan 0.000 0.573 597 D N 0.444 120.875 120.400 0.053 0.000 2.936 597 D HA 0.215 4.858 4.640 0.004 0.000 0.238 597 D C 0.900 177.214 176.300 0.022 0.000 1.248 597 D CA -0.547 53.469 54.000 0.028 0.000 0.903 597 D CB 1.945 42.754 40.800 0.015 0.000 1.544 597 D HN 0.316 nan 8.370 nan 0.000 0.543 598 V N 1.840 121.758 119.914 0.008 0.000 3.506 598 V HA 0.275 4.397 4.120 0.004 0.000 0.263 598 V C 0.963 177.037 176.094 -0.035 0.000 1.203 598 V CA 0.150 62.449 62.300 -0.002 0.000 1.133 598 V CB -0.530 31.288 31.823 -0.009 0.000 0.802 598 V HN 0.402 nan 8.190 nan 0.000 0.459 599 K N 1.265 121.637 120.400 -0.046 0.000 2.447 599 K HA 0.391 4.713 4.320 0.004 0.000 0.281 599 K C 1.216 177.769 176.600 -0.077 0.000 1.031 599 K CA 1.053 57.289 56.287 -0.085 0.000 1.019 599 K CB 0.125 32.582 32.500 -0.072 0.000 0.918 599 K HN 0.719 nan 8.250 nan 0.000 0.476 600 G N 3.392 112.109 108.800 -0.139 0.000 2.213 600 G HA2 -0.199 3.764 3.960 0.004 0.000 0.236 600 G HA3 -0.199 3.764 3.960 0.004 0.000 0.236 600 G C 0.092 175.022 174.900 0.050 0.000 0.991 600 G CA -0.374 44.716 45.100 -0.016 0.000 0.629 600 G HN 0.557 nan 8.290 nan 0.000 0.517 601 R N -0.069 120.431 120.500 0.001 0.000 2.726 601 R HA 0.644 4.987 4.340 0.004 0.000 0.272 601 R C 0.159 176.507 176.300 0.080 0.000 1.097 601 R CA -0.050 56.085 56.100 0.058 0.000 1.198 601 R CB 0.750 31.079 30.300 0.049 0.000 1.114 601 R HN 0.371 nan 8.270 nan 0.000 0.550 602 V N 0.680 120.663 119.914 0.115 0.000 2.709 602 V HA 0.385 4.508 4.120 0.004 0.000 0.308 602 V C -0.347 175.810 176.094 0.105 0.000 1.062 602 V CA -0.914 61.469 62.300 0.138 0.000 0.901 602 V CB 2.373 34.301 31.823 0.175 0.000 1.003 602 V HN 0.366 nan 8.190 nan 0.000 0.425 603 V N 2.668 122.639 119.914 0.095 0.000 2.555 603 V HA 0.792 4.914 4.120 0.004 0.000 0.302 603 V C 0.431 176.581 176.094 0.093 0.000 1.038 603 V CA -0.596 61.751 62.300 0.078 0.000 0.887 603 V CB 1.881 33.735 31.823 0.052 0.000 0.991 603 V HN 1.058 nan 8.190 nan 0.000 0.434 604 A N 5.767 128.649 122.820 0.104 0.000 2.331 604 A HA 0.786 5.108 4.320 0.004 0.000 0.283 604 A C -0.473 177.131 177.584 0.034 0.000 1.142 604 A CA -0.246 51.848 52.037 0.094 0.000 0.812 604 A CB 0.107 19.209 19.000 0.171 0.000 1.074 604 A HN 0.774 nan 8.150 nan 0.000 0.497 605 I N 3.413 123.995 120.570 0.021 0.000 2.382 605 I HA 0.206 4.378 4.170 0.004 0.000 0.285 605 I C -0.650 175.472 176.117 0.010 0.000 1.007 605 I CA -0.188 61.123 61.300 0.019 0.000 1.142 605 I CB 1.385 39.410 38.000 0.040 0.000 1.289 605 I HN 0.498 nan 8.210 nan 0.000 0.453 606 L N 7.210 128.416 121.223 -0.028 0.000 2.278 606 L HA 0.415 4.757 4.340 0.004 0.000 0.287 606 L C -0.030 176.919 176.870 0.133 0.000 1.072 606 L CA -0.301 54.554 54.840 0.026 0.000 0.819 606 L CB 0.300 42.227 42.059 -0.221 0.000 1.176 606 L HN 0.439 nan 8.230 nan 0.000 0.435 607 L N 3.545 124.911 121.223 0.238 0.000 2.454 607 L HA 0.430 4.772 4.340 0.004 0.000 0.256 607 L C 0.003 177.059 176.870 0.311 0.000 1.136 607 L CA -0.600 54.343 54.840 0.171 0.000 0.804 607 L CB 1.196 43.265 42.059 0.016 0.000 1.181 607 L HN 0.702 nan 8.230 nan 0.000 0.469 608 N N -2.321 116.461 118.700 0.135 0.000 2.697 608 N HA 0.226 4.969 4.740 0.004 0.000 0.272 608 N C -0.400 175.089 175.510 -0.034 0.000 1.381 608 N CA -0.752 52.425 53.050 0.212 0.000 0.797 608 N CB 0.644 39.242 38.487 0.184 0.000 1.523 608 N HN 0.531 nan 8.380 nan 0.000 0.518 609 D N -1.936 118.488 120.400 0.041 0.000 2.363 609 D HA 0.007 4.649 4.640 0.004 0.000 0.226 609 D C -0.350 175.916 176.300 -0.057 0.000 1.020 609 D CA 0.839 54.798 54.000 -0.067 0.000 0.892 609 D CB -0.007 40.823 40.800 0.050 0.000 0.900 609 D HN 0.633 nan 8.370 nan 0.000 0.531 610 E N 0.028 120.211 120.200 -0.028 0.000 3.832 610 E HA 0.224 4.577 4.350 0.004 0.000 0.250 610 E C -1.268 175.319 176.600 -0.021 0.000 1.215 610 E CA -0.394 55.990 56.400 -0.027 0.000 1.179 610 E CB 0.963 30.657 29.700 -0.011 0.000 1.270 610 E HN -0.080 nan 8.360 nan 0.000 0.405 611 V N 1.684 121.577 119.914 -0.034 0.000 2.694 611 V HA 0.046 4.169 4.120 0.004 0.000 0.306 611 V C 0.836 176.915 176.094 -0.024 0.000 1.054 611 V CA 0.044 62.330 62.300 -0.024 0.000 1.161 611 V CB 0.558 32.361 31.823 -0.034 0.000 0.916 611 V HN 0.391 nan 8.190 nan 0.000 0.490 612 R N 3.550 124.036 120.500 -0.022 0.000 2.605 612 R HA 0.074 4.416 4.340 0.004 0.000 0.271 612 R C 1.716 177.996 176.300 -0.033 0.000 1.418 612 R CA 0.613 56.695 56.100 -0.030 0.000 1.102 612 R CB -0.482 29.795 30.300 -0.038 0.000 1.131 612 R HN 0.994 nan 8.270 nan 0.000 0.554 613 S N 1.195 116.877 115.700 -0.029 0.000 2.423 613 S HA -0.302 4.170 4.470 0.004 0.000 0.238 613 S C 1.960 176.544 174.600 -0.027 0.000 1.028 613 S CA 1.191 59.375 58.200 -0.026 0.000 1.000 613 S CB -0.150 63.036 63.200 -0.024 0.000 0.797 613 S HN 0.535 nan 8.310 nan 0.000 0.487 614 A N 2.150 124.950 122.820 -0.033 0.000 1.933 614 A HA -0.100 4.223 4.320 0.004 0.000 0.218 614 A C 2.002 179.557 177.584 -0.047 0.000 1.175 614 A CA 1.593 53.608 52.037 -0.036 0.000 0.628 614 A CB -0.772 18.204 19.000 -0.040 0.000 0.814 614 A HN 0.526 nan 8.150 nan 0.000 0.444 615 D N 0.057 120.420 120.400 -0.062 0.000 2.078 615 D HA -0.124 4.518 4.640 0.004 0.000 0.193 615 D C 2.000 178.276 176.300 -0.041 0.000 0.990 615 D CA 0.944 54.893 54.000 -0.084 0.000 0.827 615 D CB -0.524 40.210 40.800 -0.110 0.000 0.975 615 D HN 0.368 nan 8.370 nan 0.000 0.451 616 L N 0.528 121.737 121.223 -0.023 0.000 2.021 616 L HA -0.221 4.122 4.340 0.004 0.000 0.215 616 L C 2.605 179.476 176.870 0.002 0.000 1.074 616 L CA 0.934 55.772 54.840 -0.003 0.000 0.760 616 L CB -0.310 41.746 42.059 -0.005 0.000 0.889 616 L HN 0.097 nan 8.230 nan 0.000 0.433 617 L N -0.941 120.278 121.223 -0.006 0.000 2.012 617 L HA -0.242 4.100 4.340 0.004 0.000 0.210 617 L C 2.797 179.670 176.870 0.006 0.000 1.073 617 L CA 1.397 56.236 54.840 -0.001 0.000 0.748 617 L CB -0.640 41.415 42.059 -0.006 0.000 0.891 617 L HN 0.287 nan 8.230 nan 0.000 0.431 618 A N 0.089 122.909 122.820 0.001 0.000 1.902 618 A HA -0.171 4.151 4.320 0.004 0.000 0.217 618 A C 2.170 179.777 177.584 0.038 0.000 1.181 618 A CA 1.426 53.470 52.037 0.012 0.000 0.623 618 A CB -0.617 18.381 19.000 -0.003 0.000 0.818 618 A HN 0.343 nan 8.150 nan 0.000 0.443 619 I N -0.280 120.316 120.570 0.044 0.000 2.076 619 I HA -0.297 3.876 4.170 0.004 0.000 0.237 619 I C 2.440 178.589 176.117 0.054 0.000 1.059 619 I CA 1.518 62.864 61.300 0.076 0.000 1.317 619 I CB -0.532 37.517 38.000 0.082 0.000 1.037 619 I HN 0.279 nan 8.210 nan 0.000 0.398 620 L N 0.572 121.818 121.223 0.039 0.000 2.079 620 L HA -0.253 4.090 4.340 0.004 0.000 0.210 620 L C 2.657 179.542 176.870 0.025 0.000 1.081 620 L CA 1.520 56.379 54.840 0.032 0.000 0.752 620 L CB -0.646 41.429 42.059 0.027 0.000 0.896 620 L HN 0.299 nan 8.230 nan 0.000 0.433 621 K N 0.468 120.881 120.400 0.022 0.000 2.057 621 K HA -0.172 4.151 4.320 0.004 0.000 0.206 621 K C 2.142 178.751 176.600 0.016 0.000 1.050 621 K CA 1.320 57.617 56.287 0.017 0.000 0.935 621 K CB -0.058 32.450 32.500 0.014 0.000 0.715 621 K HN 0.252 nan 8.250 nan 0.000 0.439 622 A N 1.332 124.166 122.820 0.024 0.000 1.898 622 A HA -0.065 4.257 4.320 0.004 0.000 0.216 622 A C 2.115 179.704 177.584 0.010 0.000 1.181 622 A CA 1.074 53.124 52.037 0.022 0.000 0.620 622 A CB -0.536 18.487 19.000 0.040 0.000 0.819 622 A HN 0.304 nan 8.150 nan 0.000 0.442 623 L N -0.587 120.643 121.223 0.012 0.000 1.994 623 L HA -0.219 4.124 4.340 0.004 0.000 0.208 623 L C 2.635 179.489 176.870 -0.026 0.000 1.071 623 L CA 2.055 56.891 54.840 -0.007 0.000 0.745 623 L CB -0.491 41.572 42.059 0.007 0.000 0.892 623 L HN 0.474 nan 8.230 nan 0.000 0.431 624 K N 0.506 120.900 120.400 -0.011 0.000 2.103 624 K HA -0.204 4.119 4.320 0.004 0.000 0.207 624 K C 2.025 178.611 176.600 -0.022 0.000 1.048 624 K CA 1.431 57.709 56.287 -0.015 0.000 0.930 624 K CB -0.118 32.386 32.500 0.006 0.000 0.716 624 K HN 0.284 nan 8.250 nan 0.000 0.444 625 A N 0.702 123.513 122.820 -0.014 0.000 2.015 625 A HA -0.088 4.235 4.320 0.004 0.000 0.219 625 A C 1.533 179.102 177.584 -0.025 0.000 1.163 625 A CA 1.257 53.286 52.037 -0.014 0.000 0.646 625 A CB -0.118 18.879 19.000 -0.005 0.000 0.806 625 A HN 0.161 nan 8.150 nan 0.000 0.448 626 K N -1.475 118.904 120.400 -0.036 0.000 2.358 626 K HA 0.201 4.523 4.320 0.004 0.000 0.197 626 K C 0.962 177.516 176.600 -0.078 0.000 1.025 626 K CA 0.654 56.914 56.287 -0.045 0.000 1.104 626 K CB 0.137 32.615 32.500 -0.038 0.000 0.855 626 K HN 0.715 nan 8.250 nan 0.000 0.531 627 G N 1.623 110.363 108.800 -0.101 0.000 2.160 627 G HA2 -0.224 3.738 3.960 0.004 0.000 0.244 627 G HA3 -0.224 3.738 3.960 0.004 0.000 0.244 627 G C 0.022 174.727 174.900 -0.326 0.000 1.022 627 G CA 0.209 45.205 45.100 -0.173 0.000 0.741 627 G HN 0.096 nan 8.290 nan 0.000 0.508 628 V N 0.689 120.452 119.914 -0.252 0.000 2.481 628 V HA 0.516 4.638 4.120 0.004 0.000 0.286 628 V C 0.772 176.704 176.094 -0.271 0.000 1.042 628 V CA -0.757 61.385 62.300 -0.263 0.000 0.928 628 V CB 1.157 32.919 31.823 -0.102 0.000 0.986 628 V HN 0.453 nan 8.190 nan 0.000 0.462 629 H N 1.695 120.777 119.070 0.020 0.000 2.508 629 H HA 0.781 5.339 4.556 0.004 0.000 0.358 629 H C 0.183 175.531 175.328 0.034 0.000 1.212 629 H CA 0.039 56.102 56.048 0.025 0.000 1.356 629 H CB 1.258 31.037 29.762 0.027 0.000 1.525 629 H HN 0.854 nan 8.280 nan 0.000 0.578 630 A N 0.986 123.912 122.820 0.177 0.000 2.454 630 A HA 0.549 4.872 4.320 0.004 0.000 0.302 630 A C -1.172 176.471 177.584 0.099 0.000 1.079 630 A CA -1.047 51.057 52.037 0.112 0.000 0.731 630 A CB 1.228 20.276 19.000 0.080 0.000 1.299 630 A HN 0.790 nan 8.150 nan 0.000 0.413 631 K N 2.080 122.532 120.400 0.087 0.000 2.463 631 K HA 0.673 4.995 4.320 0.004 0.000 0.255 631 K C -1.619 175.018 176.600 0.061 0.000 0.942 631 K CA -0.481 55.851 56.287 0.075 0.000 0.814 631 K CB 1.431 33.985 32.500 0.090 0.000 1.122 631 K HN 0.497 nan 8.250 nan 0.000 0.425 632 L N 4.347 125.598 121.223 0.047 0.000 2.278 632 L HA 0.309 4.651 4.340 0.004 0.000 0.287 632 L C -0.740 176.155 176.870 0.041 0.000 1.072 632 L CA -1.053 53.810 54.840 0.038 0.000 0.819 632 L CB 0.406 42.477 42.059 0.020 0.000 1.176 632 L HN 0.481 nan 8.230 nan 0.000 0.435 633 L N 4.290 125.552 121.223 0.064 0.000 2.334 633 L HA 0.593 4.935 4.340 0.004 0.000 0.273 633 L C -0.435 176.468 176.870 0.055 0.000 1.013 633 L CA -0.312 54.560 54.840 0.053 0.000 0.816 633 L CB 1.535 43.658 42.059 0.107 0.000 1.278 633 L HN 0.334 nan 8.230 nan 0.000 0.431 634 Y N -0.623 119.389 120.300 -0.481 0.000 2.974 634 Y HA 0.325 4.878 4.550 0.004 0.000 0.310 634 Y C 0.925 176.097 175.900 -1.213 0.000 1.551 634 Y CA -0.438 57.236 58.100 -0.709 0.000 1.084 634 Y CB 1.338 39.636 38.460 -0.270 0.000 1.446 634 Y HN 0.544 nan 8.280 nan 0.000 0.472 635 S N 0.435 115.268 115.700 -1.445 0.000 2.548 635 S HA 0.285 4.758 4.470 0.004 0.000 0.215 635 S C 0.003 174.305 174.600 -0.496 0.000 0.976 635 S CA 0.163 57.799 58.200 -0.940 0.000 0.908 635 S CB -0.030 62.727 63.200 -0.738 0.000 0.781 635 S HN 0.595 nan 8.310 nan 0.000 0.519 636 R N -1.065 119.225 120.500 -0.351 0.000 2.752 636 R HA 0.636 4.978 4.340 0.004 0.000 0.271 636 R C -0.833 175.454 176.300 -0.022 0.000 1.026 636 R CA -1.085 54.942 56.100 -0.123 0.000 0.901 636 R CB 0.525 30.793 30.300 -0.053 0.000 1.243 636 R HN -0.085 nan 8.270 nan 0.000 0.463 637 M N 0.198 119.790 119.600 -0.012 0.000 2.154 637 M HA 0.502 4.985 4.480 0.004 0.000 0.251 637 M C 1.029 177.344 176.300 0.025 0.000 1.200 637 M CA 0.986 56.289 55.300 0.005 0.000 0.967 637 M CB 0.550 33.147 32.600 -0.006 0.000 1.362 637 M HN 1.054 nan 8.290 nan 0.000 0.522 638 G N 0.748 109.557 108.800 0.013 0.000 2.709 638 G HA2 -0.111 3.851 3.960 0.004 0.000 0.228 638 G HA3 -0.111 3.851 3.960 0.004 0.000 0.228 638 G C -0.849 174.048 174.900 -0.005 0.000 1.215 638 G CA 0.073 45.178 45.100 0.008 0.000 1.003 638 G HN 0.933 nan 8.290 nan 0.000 0.584 639 E N -1.245 118.944 120.200 -0.017 0.000 2.430 639 E HA 0.650 5.003 4.350 0.004 0.000 0.279 639 E C -0.505 176.032 176.600 -0.105 0.000 1.003 639 E CA -0.641 55.726 56.400 -0.056 0.000 0.801 639 E CB 2.316 31.991 29.700 -0.041 0.000 1.313 639 E HN 1.647 nan 8.360 nan 0.000 0.459 640 V N -1.900 117.912 119.914 -0.169 0.000 3.113 640 V HA 0.790 4.913 4.120 0.004 0.000 0.316 640 V C -0.480 175.533 176.094 -0.136 0.000 1.125 640 V CA -0.666 61.500 62.300 -0.224 0.000 1.026 640 V CB 1.739 33.302 31.823 -0.433 0.000 1.080 640 V HN 0.771 nan 8.190 nan 0.000 0.444 641 T N 1.832 116.319 114.554 -0.113 0.000 2.812 641 T HA 0.788 5.141 4.350 0.004 0.000 0.282 641 T C 0.122 174.781 174.700 -0.067 0.000 0.990 641 T CA 0.182 62.238 62.100 -0.072 0.000 0.960 641 T CB 1.301 70.139 68.868 -0.049 0.000 0.948 641 T HN 1.330 nan 8.240 nan 0.000 0.438 642 A N 2.366 125.153 122.820 -0.056 0.000 2.296 642 A HA 0.401 4.723 4.320 0.004 0.000 0.264 642 A C 1.649 179.212 177.584 -0.034 0.000 1.097 642 A CA -0.328 51.682 52.037 -0.046 0.000 0.811 642 A CB 0.095 19.072 19.000 -0.039 0.000 1.072 642 A HN 0.933 nan 8.150 nan 0.000 0.495 643 D N 0.562 120.945 120.400 -0.029 0.000 2.149 643 D HA -0.264 4.378 4.640 0.004 0.000 0.194 643 D C 0.821 177.109 176.300 -0.021 0.000 1.001 643 D CA 1.951 55.937 54.000 -0.023 0.000 0.849 643 D CB -0.474 40.313 40.800 -0.021 0.000 0.939 643 D HN 0.650 nan 8.370 nan 0.000 0.449 644 D N -1.224 119.164 120.400 -0.021 0.000 2.349 644 D HA 0.119 4.761 4.640 0.004 0.000 0.224 644 D C 1.682 177.971 176.300 -0.018 0.000 1.029 644 D CA 0.935 54.924 54.000 -0.018 0.000 0.879 644 D CB -0.083 40.706 40.800 -0.018 0.000 0.906 644 D HN 0.506 nan 8.370 nan 0.000 0.528 645 G N -0.269 108.518 108.800 -0.021 0.000 2.179 645 G HA2 -0.230 3.732 3.960 0.004 0.000 0.220 645 G HA3 -0.230 3.732 3.960 0.004 0.000 0.220 645 G C 0.310 175.197 174.900 -0.022 0.000 0.990 645 G CA 0.131 45.219 45.100 -0.020 0.000 0.646 645 G HN 0.417 nan 8.290 nan 0.000 0.517 646 T N 1.564 116.104 114.554 -0.024 0.000 2.834 646 T HA 0.440 4.792 4.350 0.004 0.000 0.298 646 T C 0.631 175.312 174.700 -0.031 0.000 0.966 646 T CA -0.020 62.065 62.100 -0.024 0.000 1.141 646 T CB 2.232 71.087 68.868 -0.022 0.000 0.905 646 T HN 0.448 nan 8.240 nan 0.000 0.535 647 V N 5.896 125.792 119.914 -0.029 0.000 2.432 647 V HA 0.249 4.371 4.120 0.004 0.000 0.271 647 V C 0.222 176.294 176.094 -0.037 0.000 1.046 647 V CA -0.472 61.807 62.300 -0.036 0.000 0.945 647 V CB 0.250 32.057 31.823 -0.028 0.000 0.992 647 V HN 0.679 nan 8.190 nan 0.000 0.471 648 L N 8.351 129.542 121.223 -0.054 0.000 2.280 648 L HA 0.469 4.812 4.340 0.004 0.000 0.287 648 L C -2.342 174.496 176.870 -0.054 0.000 1.023 648 L CA -1.831 52.978 54.840 -0.052 0.000 0.819 648 L CB 1.695 43.715 42.059 -0.066 0.000 1.212 648 L HN 0.408 nan 8.230 nan 0.000 0.420 649 P HA 0.237 nan 4.420 nan 0.000 0.282 649 P C -0.451 176.838 177.300 -0.019 0.000 1.262 649 P CA -0.051 63.035 63.100 -0.023 0.000 0.773 649 P CB 0.862 32.556 31.700 -0.010 0.000 0.879 650 I N 2.564 123.124 120.570 -0.017 0.000 2.371 650 I HA 0.187 4.360 4.170 0.004 0.000 0.290 650 I C 1.604 177.724 176.117 0.005 0.000 1.028 650 I CA -0.266 61.031 61.300 -0.004 0.000 1.345 650 I CB 1.257 39.263 38.000 0.009 0.000 1.407 650 I HN 0.361 nan 8.210 nan 0.000 0.501 651 A N 5.306 128.133 122.820 0.012 0.000 1.898 651 A HA 0.535 4.857 4.320 0.004 0.000 0.214 651 A C 1.023 178.617 177.584 0.017 0.000 1.183 651 A CA 1.306 53.354 52.037 0.018 0.000 0.622 651 A CB 0.004 19.023 19.000 0.030 0.000 0.824 651 A HN 0.801 nan 8.150 nan 0.000 0.444 652 A N -2.101 120.727 122.820 0.014 0.000 2.581 652 A HA 0.602 4.925 4.320 0.004 0.000 0.290 652 A C -0.003 177.556 177.584 -0.041 0.000 1.119 652 A CA 0.128 52.169 52.037 0.007 0.000 0.670 652 A CB -0.150 18.876 19.000 0.044 0.000 1.280 652 A HN 0.705 nan 8.150 nan 0.000 0.425 653 T N -1.891 112.627 114.554 -0.060 0.000 2.862 653 T HA 0.575 4.927 4.350 0.004 0.000 0.276 653 T C 0.895 175.566 174.700 -0.048 0.000 0.974 653 T CA -0.065 61.925 62.100 -0.185 0.000 0.966 653 T CB 0.172 68.949 68.868 -0.152 0.000 1.072 653 T HN 0.429 nan 8.240 nan 0.000 0.538 654 F N 0.307 120.272 119.950 0.024 0.000 2.134 654 F HA 0.013 4.543 4.527 0.004 0.000 0.299 654 F C 2.970 178.903 175.800 0.222 0.000 1.097 654 F CA 0.792 58.853 58.000 0.101 0.000 1.264 654 F CB -0.515 38.521 39.000 0.060 0.000 1.001 654 F HN 0.682 nan 8.300 nan 0.000 0.479 655 A N 0.239 123.228 122.820 0.282 0.000 2.016 655 A HA 0.074 4.396 4.320 0.004 0.000 0.217 655 A C 2.387 180.046 177.584 0.124 0.000 1.162 655 A CA 1.278 53.423 52.037 0.180 0.000 0.662 655 A CB -1.323 17.738 19.000 0.101 0.000 0.812 655 A HN 0.384 nan 8.150 nan 0.000 0.450 656 G N -0.710 108.151 108.800 0.101 0.000 2.421 656 G HA2 0.260 4.222 3.960 0.004 0.000 0.217 656 G HA3 0.260 4.222 3.960 0.004 0.000 0.217 656 G C 0.687 175.643 174.900 0.093 0.000 1.143 656 G CA 0.987 46.129 45.100 0.069 0.000 0.784 656 G HN 1.074 nan 8.290 nan 0.000 0.541 657 A N 0.873 123.787 122.820 0.156 0.000 3.159 657 A HA 0.680 5.002 4.320 0.004 0.000 0.330 657 A C -2.590 175.155 177.584 0.268 0.000 1.032 657 A CA -1.156 50.987 52.037 0.176 0.000 0.841 657 A CB 1.110 20.212 19.000 0.171 0.000 1.093 657 A HN 0.109 nan 8.150 nan 0.000 0.478 658 P HA -0.026 nan 4.420 nan 0.000 0.270 658 P C 1.364 178.518 177.300 -0.243 0.000 1.221 658 P CA 0.600 63.670 63.100 -0.050 0.000 0.788 658 P CB 0.674 32.323 31.700 -0.085 0.000 0.904 659 S N 0.875 116.065 115.700 -0.849 0.000 2.440 659 S HA -0.150 4.322 4.470 0.004 0.000 0.238 659 S C 1.808 176.258 174.600 -0.249 0.000 1.010 659 S CA 0.986 58.801 58.200 -0.641 0.000 0.972 659 S CB -1.285 61.422 63.200 -0.820 0.000 0.774 659 S HN 0.354 nan 8.310 nan 0.000 0.501 660 L N 1.793 122.883 121.223 -0.222 0.000 2.129 660 L HA -0.099 4.244 4.340 0.004 0.000 0.212 660 L C 2.985 179.701 176.870 -0.255 0.000 1.087 660 L CA 1.679 56.386 54.840 -0.222 0.000 0.757 660 L CB -1.408 40.496 42.059 -0.258 0.000 0.896 660 L HN 0.630 nan 8.230 nan 0.000 0.434 661 T N -3.067 111.407 114.554 -0.133 0.000 3.148 661 T HA 0.168 4.520 4.350 0.004 0.000 0.253 661 T C 0.419 175.214 174.700 0.157 0.000 1.134 661 T CA 0.197 62.315 62.100 0.029 0.000 1.051 661 T CB -0.496 68.462 68.868 0.150 0.000 0.959 661 T HN 0.164 nan 8.240 nan 0.000 0.525 662 V N -2.615 117.350 119.914 0.085 0.000 3.113 662 V HA 0.573 4.695 4.120 0.004 0.000 0.316 662 V C -0.078 176.055 176.094 0.067 0.000 1.125 662 V CA -0.980 61.389 62.300 0.116 0.000 1.026 662 V CB 2.149 34.056 31.823 0.140 0.000 1.080 662 V HN -0.005 nan 8.190 nan 0.000 0.444 663 D N 0.956 121.398 120.400 0.070 0.000 2.366 663 D HA 0.488 5.130 4.640 0.004 0.000 0.205 663 D C 0.549 176.832 176.300 -0.029 0.000 1.022 663 D CA 1.452 55.468 54.000 0.027 0.000 0.868 663 D CB 1.507 42.346 40.800 0.065 0.000 0.953 663 D HN 0.976 nan 8.370 nan 0.000 0.514 664 A N 0.141 122.959 122.820 -0.002 0.000 2.601 664 A HA 0.533 4.856 4.320 0.004 0.000 0.291 664 A C -1.549 176.047 177.584 0.019 0.000 1.075 664 A CA -0.547 51.475 52.037 -0.026 0.000 0.671 664 A CB 1.515 20.487 19.000 -0.047 0.000 1.277 664 A HN -0.106 nan 8.150 nan 0.000 0.417 665 V N 1.162 121.081 119.914 0.008 0.000 2.588 665 V HA 0.594 4.716 4.120 0.004 0.000 0.304 665 V C -0.712 175.385 176.094 0.005 0.000 1.042 665 V CA -0.236 62.085 62.300 0.034 0.000 0.877 665 V CB 1.607 33.468 31.823 0.065 0.000 0.996 665 V HN 0.697 nan 8.190 nan 0.000 0.425 666 I N 4.233 124.815 120.570 0.019 0.000 2.436 666 I HA 0.531 4.703 4.170 0.004 0.000 0.289 666 I C -0.885 175.262 176.117 0.049 0.000 1.010 666 I CA -0.869 60.468 61.300 0.062 0.000 1.098 666 I CB 2.261 40.325 38.000 0.106 0.000 1.266 666 I HN 0.296 nan 8.210 nan 0.000 0.434 667 V N 7.623 127.585 119.914 0.080 0.000 2.326 667 V HA 0.352 4.475 4.120 0.004 0.000 0.281 667 V C -2.157 174.000 176.094 0.105 0.000 1.015 667 V CA -1.650 60.687 62.300 0.062 0.000 0.823 667 V CB 1.038 32.882 31.823 0.035 0.000 1.009 667 V HN 0.540 nan 8.190 nan 0.000 0.436 668 P HA 0.207 nan 4.420 nan 0.000 0.274 668 P C 0.152 177.467 177.300 0.026 0.000 1.246 668 P CA -0.270 62.844 63.100 0.024 0.000 0.795 668 P CB 1.111 32.817 31.700 0.010 0.000 1.006 669 C N 0.199 119.489 119.300 -0.017 0.000 2.560 669 C HA 0.753 5.215 4.460 0.004 0.000 0.334 669 C C 1.211 176.202 174.990 0.002 0.000 1.404 669 C CA 1.515 60.528 59.018 -0.007 0.000 2.410 669 C CB -0.607 27.110 27.740 -0.038 0.000 2.268 669 C HN 0.925 nan 8.230 nan 0.000 0.673 670 G N 1.836 110.637 108.800 0.003 0.000 2.292 670 G HA2 0.015 3.978 3.960 0.004 0.000 0.194 670 G HA3 0.015 3.978 3.960 0.004 0.000 0.194 670 G C -0.985 173.922 174.900 0.012 0.000 1.329 670 G CA -0.004 45.099 45.100 0.004 0.000 1.100 670 G HN 0.911 nan 8.290 nan 0.000 0.470 671 N N 1.862 120.576 118.700 0.023 0.000 2.807 671 N HA 0.264 5.006 4.740 0.004 0.000 0.259 671 N C 1.615 177.155 175.510 0.050 0.000 1.149 671 N CA -0.520 52.547 53.050 0.028 0.000 1.042 671 N CB -0.142 38.364 38.487 0.031 0.000 1.367 671 N HN 0.383 nan 8.380 nan 0.000 0.516 672 I N 1.243 121.829 120.570 0.027 0.000 2.614 672 I HA -0.151 4.021 4.170 0.004 0.000 0.258 672 I C 2.006 178.117 176.117 -0.009 0.000 1.189 672 I CA 0.545 61.857 61.300 0.019 0.000 1.462 672 I CB -1.470 36.495 38.000 -0.060 0.000 1.092 672 I HN 0.477 nan 8.210 nan 0.000 0.442 673 A N 0.764 123.576 122.820 -0.014 0.000 2.024 673 A HA -0.275 4.047 4.320 0.004 0.000 0.220 673 A C 2.091 179.693 177.584 0.030 0.000 1.164 673 A CA 2.068 54.097 52.037 -0.013 0.000 0.643 673 A CB -0.664 18.330 19.000 -0.010 0.000 0.806 673 A HN 0.412 nan 8.150 nan 0.000 0.451 674 D N 0.331 120.774 120.400 0.071 0.000 2.117 674 D HA -0.137 4.505 4.640 0.004 0.000 0.197 674 D C 1.582 177.968 176.300 0.143 0.000 0.987 674 D CA 1.748 55.818 54.000 0.117 0.000 0.829 674 D CB -0.184 40.719 40.800 0.172 0.000 0.961 674 D HN 0.639 nan 8.370 nan 0.000 0.460 675 I N -3.771 116.906 120.570 0.178 0.000 4.082 675 I HA 0.473 4.645 4.170 0.004 0.000 0.337 675 I C 1.849 178.111 176.117 0.241 0.000 1.352 675 I CA -0.065 61.377 61.300 0.238 0.000 1.097 675 I CB 0.171 38.373 38.000 0.336 0.000 1.048 675 I HN -0.098 nan 8.210 nan 0.000 0.393 676 A N 1.467 124.328 122.820 0.068 0.000 2.019 676 A HA -0.151 4.172 4.320 0.004 0.000 0.219 676 A C 1.658 179.247 177.584 0.007 0.000 1.164 676 A CA 1.876 53.840 52.037 -0.123 0.000 0.644 676 A CB -0.443 18.401 19.000 -0.259 0.000 0.805 676 A HN 0.502 nan 8.150 nan 0.000 0.449 677 D N -0.649 119.777 120.400 0.043 0.000 2.363 677 D HA 0.015 4.657 4.640 0.004 0.000 0.214 677 D C -0.027 176.317 176.300 0.074 0.000 1.093 677 D CA -0.133 53.894 54.000 0.046 0.000 0.837 677 D CB -0.124 40.690 40.800 0.023 0.000 0.948 677 D HN 0.319 nan 8.370 nan 0.000 0.507 678 N N 1.165 119.932 118.700 0.111 0.000 2.405 678 N HA 0.026 4.768 4.740 0.004 0.000 0.260 678 N C 1.351 176.923 175.510 0.103 0.000 1.152 678 N CA 0.004 53.122 53.050 0.113 0.000 0.948 678 N CB 1.448 40.033 38.487 0.163 0.000 1.111 678 N HN -0.016 nan 8.380 nan 0.000 0.485 679 G N 3.473 112.325 108.800 0.085 0.000 2.476 679 G HA2 -0.281 3.682 3.960 0.004 0.000 0.218 679 G HA3 -0.281 3.682 3.960 0.004 0.000 0.218 679 G C 0.981 175.944 174.900 0.104 0.000 1.164 679 G CA 0.638 45.786 45.100 0.080 0.000 0.768 679 G HN 0.584 nan 8.290 nan 0.000 0.560 680 D N 0.821 121.296 120.400 0.125 0.000 2.144 680 D HA -0.001 4.641 4.640 0.004 0.000 0.199 680 D C 2.805 179.137 176.300 0.054 0.000 0.984 680 D CA 1.190 55.298 54.000 0.179 0.000 0.834 680 D CB -0.462 40.505 40.800 0.278 0.000 0.955 680 D HN 0.311 nan 8.370 nan 0.000 0.465 681 A N 1.049 123.772 122.820 -0.162 0.000 1.877 681 A HA -0.193 4.129 4.320 0.004 0.000 0.216 681 A C 2.023 179.398 177.584 -0.349 0.000 1.186 681 A CA 1.322 53.001 52.037 -0.598 0.000 0.620 681 A CB -0.497 18.197 19.000 -0.511 0.000 0.822 681 A HN 0.159 nan 8.150 nan 0.000 0.443 682 N N -1.529 117.117 118.700 -0.090 0.000 2.120 682 N HA -0.186 4.557 4.740 0.004 0.000 0.188 682 N C 1.711 177.207 175.510 -0.023 0.000 1.024 682 N CA 1.774 54.814 53.050 -0.018 0.000 0.852 682 N CB -0.481 38.078 38.487 0.119 0.000 1.003 682 N HN 0.690 nan 8.380 nan 0.000 0.424 683 Y N 0.611 120.876 120.300 -0.059 0.000 2.224 683 Y HA -0.287 4.265 4.550 0.004 0.000 0.289 683 Y C 2.428 178.280 175.900 -0.081 0.000 1.146 683 Y CA 1.303 59.368 58.100 -0.059 0.000 1.182 683 Y CB -0.359 38.079 38.460 -0.038 0.000 0.983 683 Y HN 0.019 nan 8.280 nan 0.000 0.524 684 Y N 0.433 120.606 120.300 -0.211 0.000 2.114 684 Y HA -0.342 4.210 4.550 0.004 0.000 0.282 684 Y C 2.082 177.778 175.900 -0.340 0.000 1.165 684 Y CA 2.224 60.161 58.100 -0.271 0.000 1.148 684 Y CB -0.501 37.781 38.460 -0.297 0.000 0.972 684 Y HN 0.125 nan 8.280 nan 0.000 0.504 685 L N -1.214 119.920 121.223 -0.148 0.000 2.156 685 L HA -0.227 4.115 4.340 0.004 0.000 0.208 685 L C 2.380 179.123 176.870 -0.212 0.000 1.095 685 L CA 1.159 55.891 54.840 -0.180 0.000 0.770 685 L CB -0.478 41.430 42.059 -0.252 0.000 0.914 685 L HN 0.292 nan 8.230 nan 0.000 0.439 686 M N -0.549 118.873 119.600 -0.297 0.000 2.132 686 M HA -0.211 4.271 4.480 0.004 0.000 0.263 686 M C 2.256 178.304 176.300 -0.420 0.000 1.065 686 M CA 1.683 56.801 55.300 -0.302 0.000 1.122 686 M CB -0.331 32.095 32.600 -0.291 0.000 1.365 686 M HN 0.201 nan 8.290 nan 0.000 0.411 687 E N 0.569 120.331 120.200 -0.731 0.000 2.051 687 E HA -0.193 4.160 4.350 0.004 0.000 0.192 687 E C 2.005 178.242 176.600 -0.604 0.000 0.991 687 E CA 1.356 57.286 56.400 -0.784 0.000 0.799 687 E CB -0.002 29.195 29.700 -0.839 0.000 0.748 687 E HN 0.466 nan 8.360 nan 0.000 0.449 688 A N 0.273 122.854 122.820 -0.399 0.000 1.933 688 A HA -0.217 4.105 4.320 0.004 0.000 0.218 688 A C 2.045 179.519 177.584 -0.183 0.000 1.175 688 A CA 1.554 53.447 52.037 -0.240 0.000 0.628 688 A CB -0.930 17.982 19.000 -0.146 0.000 0.814 688 A HN 0.568 nan 8.150 nan 0.000 0.444 689 Y N 0.572 120.710 120.300 -0.272 0.000 2.114 689 Y HA -0.224 4.328 4.550 0.004 0.000 0.284 689 Y C 2.407 178.176 175.900 -0.219 0.000 1.143 689 Y CA 2.400 60.371 58.100 -0.215 0.000 1.135 689 Y CB -0.289 38.060 38.460 -0.184 0.000 0.980 689 Y HN 0.323 nan 8.280 nan 0.000 0.499 690 K N -0.584 119.691 120.400 -0.208 0.000 2.103 690 K HA -0.239 4.083 4.320 0.004 0.000 0.207 690 K C 1.036 177.500 176.600 -0.226 0.000 1.048 690 K CA 2.119 58.248 56.287 -0.263 0.000 0.930 690 K CB -0.472 31.828 32.500 -0.333 0.000 0.716 690 K HN 0.598 nan 8.250 nan 0.000 0.444 691 H N 0.425 119.372 119.070 -0.205 0.000 2.555 691 H HA 0.185 4.743 4.556 0.004 0.000 0.283 691 H C -0.048 175.113 175.328 -0.278 0.000 1.037 691 H CA 0.122 56.044 56.048 -0.211 0.000 1.169 691 H CB 0.047 29.684 29.762 -0.209 0.000 1.375 691 H HN 0.130 nan 8.280 nan 0.000 0.582 692 L N -0.073 120.998 121.223 -0.253 0.000 4.089 692 L HA -0.288 4.054 4.340 0.004 0.000 0.408 692 L C -0.293 176.319 176.870 -0.430 0.000 1.184 692 L CA 0.653 55.258 54.840 -0.393 0.000 0.947 692 L CB -1.656 40.153 42.059 -0.416 0.000 2.066 692 L HN 0.345 nan 8.230 nan 0.000 0.851 693 K N 0.914 121.126 120.400 -0.314 0.000 2.174 693 K HA 0.441 4.763 4.320 0.004 0.000 0.275 693 K C -2.122 174.345 176.600 -0.222 0.000 1.015 693 K CA -1.794 54.329 56.287 -0.274 0.000 0.933 693 K CB 0.678 33.068 32.500 -0.183 0.000 1.025 693 K HN -0.201 nan 8.250 nan 0.000 0.463 694 P HA 0.047 nan 4.420 nan 0.000 0.264 694 P C -0.742 176.489 177.300 -0.115 0.000 1.193 694 P CA 0.406 63.405 63.100 -0.169 0.000 0.763 694 P CB 0.403 32.002 31.700 -0.169 0.000 0.810 695 I N 2.047 122.562 120.570 -0.092 0.000 2.509 695 I HA 0.633 4.805 4.170 0.004 0.000 0.293 695 I C -0.252 175.814 176.117 -0.085 0.000 1.020 695 I CA -0.872 60.392 61.300 -0.059 0.000 1.088 695 I CB 2.187 40.179 38.000 -0.013 0.000 1.267 695 I HN 0.267 nan 8.210 nan 0.000 0.430 696 A N 7.529 130.306 122.820 -0.072 0.000 2.343 696 A HA 0.835 5.157 4.320 0.004 0.000 0.308 696 A C -1.139 176.540 177.584 0.159 0.000 1.092 696 A CA -0.432 51.537 52.037 -0.114 0.000 0.751 696 A CB 0.981 19.726 19.000 -0.426 0.000 1.203 696 A HN 0.656 nan 8.150 nan 0.000 0.452 697 L N 2.346 123.722 121.223 0.255 0.000 2.325 697 L HA 0.715 5.057 4.340 0.004 0.000 0.281 697 L C 0.284 177.362 176.870 0.347 0.000 1.004 697 L CA -0.515 54.491 54.840 0.277 0.000 0.823 697 L CB 1.895 44.058 42.059 0.173 0.000 1.236 697 L HN 0.791 nan 8.230 nan 0.000 0.415 698 A N 2.413 125.336 122.820 0.172 0.000 2.330 698 A HA 0.839 5.162 4.320 0.004 0.000 0.327 698 A C 0.630 178.191 177.584 -0.039 0.000 1.155 698 A CA 0.290 52.282 52.037 -0.075 0.000 0.803 698 A CB 1.267 20.003 19.000 -0.439 0.000 1.208 698 A HN 0.966 nan 8.150 nan 0.000 0.477 699 G N 2.106 110.876 108.800 -0.049 0.000 2.629 699 G HA2 -0.349 3.614 3.960 0.004 0.000 0.313 699 G HA3 -0.349 3.614 3.960 0.004 0.000 0.313 699 G C 0.483 175.378 174.900 -0.008 0.000 1.217 699 G CA 0.960 46.040 45.100 -0.033 0.000 0.994 699 G HN 0.707 nan 8.290 nan 0.000 0.549 700 D N 1.604 121.995 120.400 -0.014 0.000 2.371 700 D HA 0.332 4.975 4.640 0.004 0.000 0.221 700 D C 2.459 178.749 176.300 -0.015 0.000 0.986 700 D CA 1.432 55.417 54.000 -0.024 0.000 0.899 700 D CB -0.501 40.279 40.800 -0.035 0.000 0.902 700 D HN 0.764 nan 8.370 nan 0.000 0.530 701 A N 0.411 123.261 122.820 0.049 0.000 2.121 701 A HA -0.117 4.206 4.320 0.004 0.000 0.218 701 A C 1.964 179.646 177.584 0.164 0.000 1.154 701 A CA 0.566 52.699 52.037 0.161 0.000 0.679 701 A CB -0.293 18.823 19.000 0.193 0.000 0.795 701 A HN 0.107 nan 8.150 nan 0.000 0.458 702 R N -0.620 119.928 120.500 0.080 0.000 2.341 702 R HA -0.061 4.282 4.340 0.004 0.000 0.213 702 R C 1.376 177.680 176.300 0.006 0.000 1.082 702 R CA 0.978 57.114 56.100 0.060 0.000 1.017 702 R CB -0.113 30.211 30.300 0.041 0.000 0.860 702 R HN 0.300 nan 8.270 nan 0.000 0.473 703 K N -0.270 120.086 120.400 -0.074 0.000 2.283 703 K HA -0.051 4.271 4.320 0.004 0.000 0.202 703 K C 0.921 177.401 176.600 -0.200 0.000 1.048 703 K CA 1.017 57.201 56.287 -0.171 0.000 0.948 703 K CB 0.002 32.336 32.500 -0.276 0.000 0.742 703 K HN 0.134 nan 8.250 nan 0.000 0.458 704 F N 0.625 120.552 119.950 -0.038 0.000 2.748 704 F HA -0.023 4.506 4.527 0.004 0.000 0.299 704 F C 1.585 177.338 175.800 -0.078 0.000 1.154 704 F CA 0.478 58.444 58.000 -0.057 0.000 1.446 704 F CB 0.096 39.061 39.000 -0.058 0.000 1.112 704 F HN -0.072 nan 8.300 nan 0.000 0.584 705 K N 0.276 120.721 120.400 0.074 0.000 2.147 705 K HA -0.162 4.160 4.320 0.004 0.000 0.205 705 K C 2.299 178.875 176.600 -0.040 0.000 1.049 705 K CA 1.034 57.320 56.287 -0.002 0.000 0.936 705 K CB -0.245 32.251 32.500 -0.006 0.000 0.722 705 K HN 0.257 nan 8.250 nan 0.000 0.446 706 A N 0.778 123.581 122.820 -0.027 0.000 1.898 706 A HA -0.133 4.189 4.320 0.004 0.000 0.216 706 A C 2.132 179.692 177.584 -0.040 0.000 1.181 706 A CA 1.882 53.896 52.037 -0.038 0.000 0.620 706 A CB -0.853 18.124 19.000 -0.038 0.000 0.819 706 A HN 0.253 nan 8.150 nan 0.000 0.442 707 T N 0.934 115.484 114.554 -0.007 0.000 2.759 707 T HA -0.125 4.227 4.350 0.004 0.000 0.269 707 T C 1.456 176.097 174.700 -0.099 0.000 1.042 707 T CA 1.617 63.712 62.100 -0.009 0.000 1.140 707 T CB -0.534 68.374 68.868 0.067 0.000 0.864 707 T HN 0.730 nan 8.240 nan 0.000 0.455 708 I N -2.684 117.773 120.570 -0.188 0.000 3.914 708 I HA 0.401 4.574 4.170 0.004 0.000 0.333 708 I C -0.355 175.516 176.117 -0.411 0.000 1.449 708 I CA -0.587 60.461 61.300 -0.419 0.000 1.135 708 I CB -0.030 37.545 38.000 -0.708 0.000 1.073 708 I HN -0.191 nan 8.210 nan 0.000 0.401 709 K N 2.596 122.873 120.400 -0.205 0.000 3.730 709 K HA -0.123 4.200 4.320 0.004 0.000 0.276 709 K C -0.442 176.086 176.600 -0.121 0.000 0.904 709 K CA 0.718 56.928 56.287 -0.128 0.000 0.741 709 K CB -1.366 31.082 32.500 -0.085 0.000 1.542 709 K HN 0.591 nan 8.250 nan 0.000 0.446 710 I N 0.831 121.332 120.570 -0.115 0.000 2.353 710 I HA 0.231 4.403 4.170 0.004 0.000 0.293 710 I C 1.186 177.285 176.117 -0.030 0.000 0.992 710 I CA -0.586 60.675 61.300 -0.065 0.000 1.268 710 I CB 1.506 39.468 38.000 -0.064 0.000 1.387 710 I HN 0.312 nan 8.210 nan 0.000 0.478 711 A N 4.434 127.248 122.820 -0.011 0.000 2.536 711 A HA -0.010 4.313 4.320 0.004 0.000 0.234 711 A C 1.000 178.582 177.584 -0.004 0.000 1.076 711 A CA -0.031 52.003 52.037 -0.005 0.000 0.769 711 A CB 0.092 19.094 19.000 0.003 0.000 1.020 711 A HN 0.815 nan 8.150 nan 0.000 0.508 712 D N 0.003 120.401 120.400 -0.003 0.000 2.144 712 D HA -0.167 4.476 4.640 0.004 0.000 0.199 712 D C 2.020 178.322 176.300 0.003 0.000 0.984 712 D CA 2.022 56.021 54.000 -0.001 0.000 0.834 712 D CB -0.138 40.660 40.800 -0.003 0.000 0.955 712 D HN 0.826 nan 8.370 nan 0.000 0.465 713 Q N 0.116 119.919 119.800 0.005 0.000 2.482 713 Q HA 0.243 4.586 4.340 0.004 0.000 0.209 713 Q C 0.878 176.883 176.000 0.010 0.000 0.961 713 Q CA 0.605 56.412 55.803 0.007 0.000 0.945 713 Q CB 0.172 28.915 28.738 0.007 0.000 1.012 713 Q HN 0.068 nan 8.270 nan 0.000 0.515 714 G N 0.529 109.335 108.800 0.010 0.000 2.746 714 G HA2 -0.241 3.721 3.960 0.004 0.000 0.685 714 G HA3 -0.241 3.721 3.960 0.004 0.000 0.685 714 G C -1.420 173.488 174.900 0.013 0.000 1.350 714 G CA -0.217 44.890 45.100 0.012 0.000 0.837 714 G HN 0.382 nan 8.290 nan 0.000 0.564 715 E N -0.392 119.818 120.200 0.016 0.000 2.340 715 E HA 0.426 4.778 4.350 0.004 0.000 0.273 715 E C -0.396 176.206 176.600 0.004 0.000 0.891 715 E CA -0.849 55.563 56.400 0.021 0.000 0.757 715 E CB 1.160 30.890 29.700 0.050 0.000 1.231 715 E HN 0.444 nan 8.360 nan 0.000 0.439 716 E N 1.273 121.468 120.200 -0.008 0.000 2.366 716 E HA 0.199 4.551 4.350 0.004 0.000 0.266 716 E C 0.522 177.090 176.600 -0.054 0.000 1.015 716 E CA 1.214 57.595 56.400 -0.032 0.000 0.906 716 E CB 1.189 30.870 29.700 -0.033 0.000 0.979 716 E HN 0.878 nan 8.360 nan 0.000 0.443 717 G N 3.201 111.956 108.800 -0.075 0.000 2.231 717 G HA2 -0.186 3.776 3.960 0.004 0.000 0.206 717 G HA3 -0.186 3.776 3.960 0.004 0.000 0.206 717 G C 0.111 174.965 174.900 -0.077 0.000 0.996 717 G CA -0.503 44.533 45.100 -0.107 0.000 0.645 717 G HN 0.419 nan 8.290 nan 0.000 0.498 718 I N 2.352 122.897 120.570 -0.040 0.000 2.382 718 I HA 0.469 4.641 4.170 0.004 0.000 0.285 718 I C 0.391 176.474 176.117 -0.056 0.000 1.007 718 I CA -1.098 60.186 61.300 -0.026 0.000 1.142 718 I CB 1.295 39.308 38.000 0.022 0.000 1.289 718 I HN -0.103 nan 8.210 nan 0.000 0.453 719 V N 7.561 127.404 119.914 -0.118 0.000 2.461 719 V HA 0.321 4.443 4.120 0.004 0.000 0.275 719 V C 0.315 176.382 176.094 -0.046 0.000 1.047 719 V CA -0.403 61.785 62.300 -0.185 0.000 0.955 719 V CB 1.004 32.540 31.823 -0.478 0.000 0.988 719 V HN 0.840 nan 8.190 nan 0.000 0.471 720 E N 4.371 124.615 120.200 0.074 0.000 2.356 720 E HA 0.903 5.255 4.350 0.004 0.000 0.275 720 E C -0.927 175.822 176.600 0.248 0.000 0.904 720 E CA -1.038 55.484 56.400 0.203 0.000 0.757 720 E CB 2.711 32.477 29.700 0.109 0.000 1.232 720 E HN 0.780 nan 8.360 nan 0.000 0.442 721 A N 1.724 124.692 122.820 0.246 0.000 2.567 721 A HA 0.310 4.632 4.320 0.004 0.000 0.291 721 A C -0.589 177.007 177.584 0.020 0.000 1.048 721 A CA -0.638 51.482 52.037 0.138 0.000 0.661 721 A CB 1.137 20.262 19.000 0.208 0.000 1.288 721 A HN 0.600 nan 8.150 nan 0.000 0.424 722 D N 0.503 120.898 120.400 -0.009 0.000 2.178 722 D HA 0.036 4.679 4.640 0.004 0.000 0.201 722 D C 1.085 177.327 176.300 -0.096 0.000 0.980 722 D CA 2.354 56.331 54.000 -0.039 0.000 0.842 722 D CB 0.095 40.880 40.800 -0.025 0.000 0.948 722 D HN 0.846 nan 8.370 nan 0.000 0.472 723 S N -1.851 113.755 115.700 -0.157 0.000 2.638 723 S HA 0.643 5.115 4.470 0.004 0.000 0.274 723 S C -0.351 173.958 174.600 -0.485 0.000 1.157 723 S CA -0.543 57.506 58.200 -0.251 0.000 0.826 723 S CB 1.925 65.032 63.200 -0.155 0.000 1.139 723 S HN -0.048 nan 8.310 nan 0.000 0.474 724 A N 1.248 123.720 122.820 -0.581 0.000 2.840 724 A HA 0.379 4.702 4.320 0.004 0.000 0.269 724 A C 0.450 177.881 177.584 -0.256 0.000 1.439 724 A CA -0.039 51.506 52.037 -0.821 0.000 1.083 724 A CB -2.009 16.641 19.000 -0.583 0.000 1.019 724 A HN 0.916 nan 8.150 nan 0.000 0.607 725 D N -0.914 119.409 120.400 -0.129 0.000 2.126 725 D HA 0.196 4.839 4.640 0.004 0.000 0.240 725 D C 1.458 177.809 176.300 0.084 0.000 1.316 725 D CA 0.379 54.377 54.000 -0.004 0.000 0.945 725 D CB 0.032 40.836 40.800 0.006 0.000 1.301 725 D HN -0.001 nan 8.370 nan 0.000 0.537 726 G N -1.518 107.322 108.800 0.066 0.000 2.403 726 G HA2 -0.249 3.713 3.960 0.004 0.000 0.216 726 G HA3 -0.249 3.713 3.960 0.004 0.000 0.216 726 G C 1.634 176.587 174.900 0.088 0.000 1.154 726 G CA 0.796 45.938 45.100 0.071 0.000 0.784 726 G HN 0.459 nan 8.290 nan 0.000 0.538 727 S N -0.228 115.526 115.700 0.091 0.000 2.368 727 S HA -0.116 4.357 4.470 0.004 0.000 0.225 727 S C 2.030 176.706 174.600 0.126 0.000 1.030 727 S CA 1.355 59.607 58.200 0.086 0.000 0.999 727 S CB -0.413 62.831 63.200 0.074 0.000 0.844 727 S HN 0.378 nan 8.310 nan 0.000 0.459 728 F N 1.818 121.767 119.950 -0.002 0.000 2.095 728 F HA -0.111 4.419 4.527 0.004 0.000 0.298 728 F C 2.099 177.896 175.800 -0.005 0.000 1.104 728 F CA 1.716 59.714 58.000 -0.003 0.000 1.232 728 F CB -0.276 38.723 39.000 -0.001 0.000 0.987 728 F HN 0.202 nan 8.300 nan 0.000 0.475 729 M N 0.142 119.883 119.600 0.236 0.000 2.175 729 M HA -0.158 4.324 4.480 0.004 0.000 0.264 729 M C 1.727 178.029 176.300 0.003 0.000 1.063 729 M CA 1.313 56.672 55.300 0.098 0.000 1.119 729 M CB -1.326 31.359 32.600 0.141 0.000 1.377 729 M HN 0.126 nan 8.290 nan 0.000 0.415 730 D N 0.316 120.726 120.400 0.015 0.000 2.144 730 D HA -0.118 4.525 4.640 0.004 0.000 0.200 730 D C 1.993 178.269 176.300 -0.039 0.000 0.978 730 D CA 0.976 54.972 54.000 -0.007 0.000 0.833 730 D CB -0.066 40.739 40.800 0.007 0.000 0.961 730 D HN 0.454 nan 8.370 nan 0.000 0.470 731 E N 0.318 120.481 120.200 -0.062 0.000 2.031 731 E HA -0.137 4.216 4.350 0.004 0.000 0.193 731 E C 2.095 178.614 176.600 -0.134 0.000 0.994 731 E CA 0.294 56.637 56.400 -0.096 0.000 0.800 731 E CB -0.086 29.539 29.700 -0.125 0.000 0.752 731 E HN 0.140 nan 8.360 nan 0.000 0.447 732 L N 1.082 122.186 121.223 -0.198 0.000 2.042 732 L HA -0.184 4.159 4.340 0.004 0.000 0.210 732 L C 2.132 178.931 176.870 -0.118 0.000 1.076 732 L CA 1.643 56.363 54.840 -0.200 0.000 0.749 732 L CB -0.517 41.377 42.059 -0.275 0.000 0.893 732 L HN 0.229 nan 8.230 nan 0.000 0.432 733 L N -0.668 120.507 121.223 -0.080 0.000 2.201 733 L HA -0.159 4.184 4.340 0.004 0.000 0.212 733 L C 2.392 179.237 176.870 -0.042 0.000 1.105 733 L CA 1.157 55.967 54.840 -0.049 0.000 0.775 733 L CB -0.657 41.384 42.059 -0.030 0.000 0.913 733 L HN 0.231 nan 8.230 nan 0.000 0.440 734 T N 0.037 114.563 114.554 -0.048 0.000 2.812 734 T HA -0.088 4.265 4.350 0.004 0.000 0.264 734 T C 1.961 176.631 174.700 -0.050 0.000 1.042 734 T CA 1.033 63.111 62.100 -0.037 0.000 1.140 734 T CB -0.136 68.712 68.868 -0.033 0.000 0.870 734 T HN 0.188 nan 8.240 nan 0.000 0.445 735 L N 0.375 121.550 121.223 -0.081 0.000 2.046 735 L HA -0.066 4.276 4.340 0.004 0.000 0.208 735 L C 2.705 179.511 176.870 -0.105 0.000 1.077 735 L CA 1.304 56.077 54.840 -0.112 0.000 0.747 735 L CB -0.577 41.395 42.059 -0.145 0.000 0.896 735 L HN 0.299 nan 8.230 nan 0.000 0.432 736 M N -0.592 118.960 119.600 -0.080 0.000 2.213 736 M HA -0.175 4.307 4.480 0.004 0.000 0.263 736 M C 2.420 178.721 176.300 0.003 0.000 1.062 736 M CA 1.730 57.002 55.300 -0.048 0.000 1.105 736 M CB -0.486 32.094 32.600 -0.034 0.000 1.385 736 M HN 0.315 nan 8.290 nan 0.000 0.417 737 A N 0.091 122.914 122.820 0.005 0.000 2.067 737 A HA 0.089 4.412 4.320 0.004 0.000 0.219 737 A C 2.104 179.731 177.584 0.073 0.000 1.158 737 A CA 1.602 53.662 52.037 0.039 0.000 0.661 737 A CB -0.568 18.448 19.000 0.027 0.000 0.801 737 A HN 0.499 nan 8.150 nan 0.000 0.452 738 A N -2.654 120.190 122.820 0.039 0.000 2.308 738 A HA 0.381 4.703 4.320 0.004 0.000 0.217 738 A C 0.905 178.522 177.584 0.056 0.000 1.216 738 A CA 1.155 53.229 52.037 0.062 0.000 0.864 738 A CB -0.410 18.583 19.000 -0.011 0.000 0.902 738 A HN 0.912 nan 8.150 nan 0.000 0.499 739 H N -1.086 117.930 119.070 -0.090 0.000 4.856 739 H HA -0.193 4.365 4.556 0.004 0.000 0.059 739 H C 0.060 175.176 175.328 -0.353 0.000 0.596 739 H CA 2.415 58.389 56.048 -0.124 0.000 0.946 739 H CB -0.584 29.209 29.762 0.052 0.000 0.453 739 H HN 0.454 nan 8.280 nan 0.000 0.801 740 R N -0.263 119.682 120.500 -0.926 0.000 2.867 740 R HA 0.614 4.957 4.340 0.004 0.000 0.268 740 R C -0.636 174.853 176.300 -1.351 0.000 1.014 740 R CA -0.316 55.020 56.100 -1.273 0.000 0.946 740 R CB 1.689 30.968 30.300 -1.701 0.000 1.208 740 R HN 0.090 nan 8.270 nan 0.000 0.477 741 V N 2.306 121.642 119.914 -0.962 0.000 2.222 741 V HA 0.103 4.225 4.120 0.004 0.000 0.253 741 V C 0.701 176.430 176.094 -0.609 0.000 1.210 741 V CA -0.458 61.440 62.300 -0.669 0.000 1.079 741 V CB -0.367 31.204 31.823 -0.420 0.000 1.265 741 V HN 0.719 nan 8.190 nan 0.000 0.494 742 W N 1.645 122.673 121.300 -0.452 0.000 2.392 742 W HA -0.174 4.488 4.660 0.003 0.000 0.279 742 W C 2.467 178.781 176.519 -0.342 0.000 1.225 742 W CA 0.818 57.807 57.345 -0.593 0.000 1.233 742 W CB -0.433 28.300 29.460 -1.212 0.000 1.122 742 W HN 0.653 nan 8.180 nan 0.000 0.561 743 S N 0.546 116.210 115.700 -0.060 0.000 2.507 743 S HA -0.101 4.372 4.470 0.004 0.000 0.235 743 S C 1.685 176.251 174.600 -0.056 0.000 0.988 743 S CA 0.714 58.895 58.200 -0.030 0.000 0.944 743 S CB -0.349 62.835 63.200 -0.027 0.000 0.762 743 S HN 0.405 nan 8.310 nan 0.000 0.526 744 R N 0.653 121.078 120.500 -0.125 0.000 2.275 744 R HA 0.261 4.604 4.340 0.004 0.000 0.199 744 R C 1.710 177.938 176.300 -0.119 0.000 0.989 744 R CA 0.292 56.294 56.100 -0.163 0.000 1.016 744 R CB -0.367 29.729 30.300 -0.341 0.000 0.918 744 R HN 0.463 nan 8.270 nan 0.000 0.473 745 I N 1.909 122.449 120.570 -0.050 0.000 2.113 745 I HA -0.260 3.913 4.170 0.004 0.000 0.242 745 I C -0.802 175.335 176.117 0.034 0.000 1.064 745 I CA 1.513 62.826 61.300 0.021 0.000 1.320 745 I CB -0.967 37.092 38.000 0.098 0.000 1.028 745 I HN 0.152 nan 8.210 nan 0.000 0.406 746 P HA -0.157 nan 4.420 nan 0.000 0.223 746 P C 1.039 178.366 177.300 0.045 0.000 1.144 746 P CA 1.486 64.612 63.100 0.045 0.000 0.783 746 P CB -0.076 31.648 31.700 0.041 0.000 0.771 747 K N -0.465 119.956 120.400 0.036 0.000 2.323 747 K HA 0.123 4.446 4.320 0.004 0.000 0.197 747 K C 1.977 178.636 176.600 0.099 0.000 1.043 747 K CA 0.519 56.850 56.287 0.073 0.000 0.997 747 K CB -0.305 32.260 32.500 0.107 0.000 0.807 747 K HN 0.250 nan 8.250 nan 0.000 0.497 748 I N -1.050 119.547 120.570 0.044 0.000 3.001 748 I HA -0.126 4.046 4.170 0.004 0.000 0.268 748 I C 1.782 177.942 176.117 0.072 0.000 1.267 748 I CA 1.114 62.447 61.300 0.056 0.000 1.472 748 I CB -0.209 37.773 38.000 -0.030 0.000 1.089 748 I HN 0.063 nan 8.210 nan 0.000 0.468 749 D N 2.480 122.923 120.400 0.071 0.000 2.133 749 D HA -0.194 4.449 4.640 0.004 0.000 0.195 749 D C 1.452 177.791 176.300 0.066 0.000 0.997 749 D CA 1.251 55.294 54.000 0.071 0.000 0.840 749 D CB 0.170 41.010 40.800 0.067 0.000 0.947 749 D HN 0.366 nan 8.370 nan 0.000 0.452 750 K N 0.258 120.698 120.400 0.067 0.000 2.437 750 K HA 0.102 4.424 4.320 0.004 0.000 0.198 750 K C 0.530 177.163 176.600 0.055 0.000 1.024 750 K CA -0.313 56.008 56.287 0.057 0.000 1.148 750 K CB 0.997 33.527 32.500 0.051 0.000 0.860 750 K HN 0.228 nan 8.250 nan 0.000 0.515 751 I N 3.773 124.383 120.570 0.067 0.000 2.339 751 I HA 0.196 4.369 4.170 0.004 0.000 0.290 751 I C -2.446 173.701 176.117 0.050 0.000 0.994 751 I CA -2.576 58.757 61.300 0.055 0.000 1.191 751 I CB 1.731 39.783 38.000 0.087 0.000 1.343 751 I HN -0.136 nan 8.210 nan 0.000 0.458 752 P HA 0.360 nan 4.420 nan 0.000 0.260 752 P C -0.819 176.539 177.300 0.095 0.000 1.651 752 P CA -0.042 63.095 63.100 0.062 0.000 1.139 752 P CB 0.302 32.033 31.700 0.053 0.000 1.756 753 A N 0.000 122.877 122.820 0.095 0.000 2.254 753 A HA 0.000 4.322 4.320 0.004 0.000 0.244 753 A CA 0.000 52.131 52.037 0.156 0.000 0.836 753 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486