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 1ggh_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VAARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN 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 0.000 176.279 176.300 -0.034 0.000 2.045 27 D CA 0.000 53.983 54.000 -0.028 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 S N 0.083 115.759 115.700 -0.040 0.000 2.952 28 S HA 0.351 4.865 4.470 0.073 0.000 0.251 28 S C 1.312 175.875 174.600 -0.062 0.000 1.021 28 S CA -0.303 57.870 58.200 -0.046 0.000 1.067 28 S CB -0.193 62.986 63.200 -0.034 0.000 1.002 28 S HN 0.137 nan 8.310 nan 0.000 0.574 29 L N 1.034 122.214 121.223 -0.071 0.000 2.044 29 L HA 0.250 4.634 4.340 0.073 0.000 0.205 29 L C 1.660 178.452 176.870 -0.131 0.000 1.075 29 L CA 0.788 55.580 54.840 -0.080 0.000 0.747 29 L CB -1.100 40.921 42.059 -0.062 0.000 0.903 29 L HN 0.426 nan 8.230 nan 0.000 0.435 30 A N 1.282 123.973 122.820 -0.214 0.000 2.483 30 A HA 0.269 4.633 4.320 0.073 0.000 0.238 30 A C -2.007 175.419 177.584 -0.263 0.000 1.070 30 A CA -0.892 50.890 52.037 -0.424 0.000 0.770 30 A CB -0.716 17.799 19.000 -0.808 0.000 1.008 30 A HN 0.067 nan 8.150 nan 0.000 0.497 31 P HA 0.131 nan 4.420 nan 0.000 0.271 31 P C 0.119 177.400 177.300 -0.032 0.000 1.218 31 P CA -0.013 63.048 63.100 -0.066 0.000 0.780 31 P CB 0.810 32.514 31.700 0.007 0.000 0.901 32 E N 1.334 121.528 120.200 -0.010 0.000 2.150 32 E HA -0.180 4.214 4.350 0.073 0.000 0.193 32 E C 1.138 177.759 176.600 0.034 0.000 0.985 32 E CA 1.408 57.812 56.400 0.006 0.000 0.814 32 E CB -0.498 29.202 29.700 -0.000 0.000 0.752 32 E HN 0.529 nan 8.360 nan 0.000 0.466 33 D N -1.371 119.055 120.400 0.043 0.000 2.378 33 D HA 0.013 4.697 4.640 0.073 0.000 0.227 33 D C 1.213 177.562 176.300 0.081 0.000 1.012 33 D CA 0.825 54.855 54.000 0.050 0.000 0.905 33 D CB -0.414 40.409 40.800 0.038 0.000 0.895 33 D HN 0.196 nan 8.370 nan 0.000 0.532 34 G N 0.408 109.300 108.800 0.153 0.000 2.168 34 G HA2 -0.361 3.643 3.960 0.073 0.000 0.257 34 G HA3 -0.361 3.643 3.960 0.073 0.000 0.257 34 G C 0.993 175.983 174.900 0.149 0.000 0.997 34 G CA 0.901 46.138 45.100 0.228 0.000 0.708 34 G HN 0.734 nan 8.290 nan 0.000 0.520 35 S N 0.358 116.155 115.700 0.161 0.000 2.603 35 S HA -0.013 4.501 4.470 0.073 0.000 0.229 35 S C 1.843 176.503 174.600 0.100 0.000 0.972 35 S CA 1.112 59.363 58.200 0.085 0.000 0.935 35 S CB -0.495 62.745 63.200 0.067 0.000 0.769 35 S HN 0.943 nan 8.310 nan 0.000 0.536 36 H N 0.647 119.723 119.070 0.010 0.000 2.525 36 H HA 0.316 4.916 4.556 0.072 0.000 0.275 36 H C 0.772 176.110 175.328 0.018 0.000 0.984 36 H CA 0.018 56.073 56.048 0.012 0.000 1.264 36 H CB -0.268 29.500 29.762 0.010 0.000 1.432 36 H HN 0.349 nan 8.280 nan 0.000 0.549 37 R N 2.454 122.611 120.500 -0.573 0.000 2.255 37 R HA 0.347 4.731 4.340 0.073 0.000 0.326 37 R C -2.641 173.559 176.300 -0.167 0.000 0.986 37 R CA -1.935 53.921 56.100 -0.407 0.000 0.847 37 R CB 0.975 30.968 30.300 -0.511 0.000 1.111 37 R HN 0.100 nan 8.270 nan 0.000 0.452 38 P HA 0.129 nan 4.420 nan 0.000 0.271 38 P C -1.020 176.268 177.300 -0.020 0.000 1.216 38 P CA -0.374 62.712 63.100 -0.024 0.000 0.776 38 P CB 1.156 32.866 31.700 0.017 0.000 0.881 39 A N 2.982 125.796 122.820 -0.009 0.000 2.546 39 A HA 0.331 4.695 4.320 0.073 0.000 0.243 39 A C 0.966 178.557 177.584 0.012 0.000 1.063 39 A CA 0.223 52.258 52.037 -0.002 0.000 0.757 39 A CB -0.522 18.479 19.000 0.003 0.000 0.991 39 A HN 0.588 nan 8.150 nan 0.000 0.503 40 A N 3.421 126.248 122.820 0.011 0.000 3.077 40 A HA 0.495 4.859 4.320 0.073 0.000 0.255 40 A C 0.401 178.000 177.584 0.025 0.000 1.728 40 A CA 0.257 52.307 52.037 0.022 0.000 1.383 40 A CB -0.874 18.136 19.000 0.017 0.000 1.097 40 A HN 0.933 nan 8.150 nan 0.000 0.634 41 E N -0.880 119.338 120.200 0.029 0.000 2.416 41 E HA 0.430 4.823 4.350 0.073 0.000 0.280 41 E C -3.310 173.309 176.600 0.033 0.000 1.055 41 E CA -2.429 53.990 56.400 0.031 0.000 0.825 41 E CB 0.479 30.192 29.700 0.022 0.000 1.312 41 E HN 0.032 nan 8.360 nan 0.000 0.452 42 P HA 0.070 nan 4.420 nan 0.000 0.262 42 P C -0.804 176.502 177.300 0.010 0.000 1.199 42 P CA 0.426 63.537 63.100 0.019 0.000 0.763 42 P CB 0.364 32.066 31.700 0.003 0.000 0.790 43 T N 1.384 115.941 114.554 0.005 0.000 2.912 43 T HA 0.609 5.003 4.350 0.073 0.000 0.299 43 T C -2.957 171.719 174.700 -0.039 0.000 1.052 43 T CA -2.660 59.438 62.100 -0.004 0.000 0.996 43 T CB 1.877 70.748 68.868 0.004 0.000 1.070 43 T HN 0.059 nan 8.240 nan 0.000 0.465 44 P HA 0.333 nan 4.420 nan 0.000 0.272 44 P C -2.753 174.410 177.300 -0.228 0.000 1.240 44 P CA -1.594 61.371 63.100 -0.225 0.000 0.791 44 P CB -0.910 30.717 31.700 -0.122 0.000 0.978 45 P HA 0.014 nan 4.420 nan 0.000 0.260 45 P C 1.062 178.304 177.300 -0.097 0.000 1.172 45 P CA 1.640 64.625 63.100 -0.192 0.000 0.760 45 P CB -0.471 31.095 31.700 -0.223 0.000 0.773 46 G N 2.894 111.669 108.800 -0.041 0.000 2.176 46 G HA2 -0.303 3.700 3.960 0.073 0.000 0.253 46 G HA3 -0.303 3.700 3.960 0.073 0.000 0.253 46 G C 1.054 175.948 174.900 -0.010 0.000 0.979 46 G CA 0.329 45.419 45.100 -0.016 0.000 0.641 46 G HN 0.671 nan 8.290 nan 0.000 0.530 47 A N -1.141 121.669 122.820 -0.016 0.000 1.975 47 A HA 0.478 4.842 4.320 0.073 0.000 0.215 47 A C 1.284 178.869 177.584 0.002 0.000 1.170 47 A CA 1.846 53.879 52.037 -0.007 0.000 0.656 47 A CB 0.048 19.042 19.000 -0.010 0.000 0.821 47 A HN 0.509 nan 8.150 nan 0.000 0.449 48 Q N -0.889 118.916 119.800 0.008 0.000 2.456 48 Q HA 0.433 4.817 4.340 0.073 0.000 0.284 48 Q C -3.012 173.002 176.000 0.023 0.000 1.061 48 Q CA -2.105 53.707 55.803 0.014 0.000 0.799 48 Q CB 0.887 29.636 28.738 0.019 0.000 1.445 48 Q HN 0.046 nan 8.270 nan 0.000 0.411 49 P HA 0.048 nan 4.420 nan 0.000 0.268 49 P C -0.200 177.129 177.300 0.048 0.000 1.205 49 P CA 0.064 63.177 63.100 0.022 0.000 0.771 49 P CB 0.275 31.986 31.700 0.018 0.000 0.858 50 T N -0.401 114.182 114.554 0.048 0.000 2.802 50 T HA 0.573 4.967 4.350 0.073 0.000 0.305 50 T C 0.052 174.840 174.700 0.146 0.000 1.053 50 T CA -0.467 61.711 62.100 0.130 0.000 1.058 50 T CB 0.551 69.433 68.868 0.022 0.000 0.988 50 T HN 0.571 nan 8.240 nan 0.000 0.539 51 A N 1.282 124.287 122.820 0.309 0.000 2.609 51 A HA 0.764 5.127 4.320 0.073 0.000 0.291 51 A C -3.072 174.775 177.584 0.438 0.000 1.096 51 A CA -2.066 50.126 52.037 0.259 0.000 0.684 51 A CB 0.597 19.701 19.000 0.174 0.000 1.282 51 A HN 0.650 nan 8.150 nan 0.000 0.412 52 P HA 0.107 nan 4.420 nan 0.000 0.264 52 P C 1.243 178.704 177.300 0.269 0.000 1.183 52 P CA 1.015 64.333 63.100 0.362 0.000 0.763 52 P CB 0.543 32.374 31.700 0.219 0.000 0.807 53 G N 2.656 111.580 108.800 0.207 0.000 2.469 53 G HA2 -0.312 3.692 3.960 0.073 0.000 0.219 53 G HA3 -0.312 3.692 3.960 0.073 0.000 0.219 53 G C 1.528 176.445 174.900 0.029 0.000 1.150 53 G CA 1.163 46.286 45.100 0.037 0.000 0.763 53 G HN 0.592 nan 8.290 nan 0.000 0.561 54 S N -0.200 115.520 115.700 0.034 0.000 2.515 54 S HA 0.190 4.704 4.470 0.073 0.000 0.231 54 S C 2.159 176.778 174.600 0.032 0.000 0.987 54 S CA 0.587 58.793 58.200 0.010 0.000 0.936 54 S CB -0.110 63.086 63.200 -0.007 0.000 0.766 54 S HN 0.318 nan 8.310 nan 0.000 0.528 55 L N -0.097 121.163 121.223 0.061 0.000 2.253 55 L HA 0.253 4.637 4.340 0.073 0.000 0.205 55 L C 2.672 179.575 176.870 0.055 0.000 1.078 55 L CA 0.825 55.699 54.840 0.058 0.000 0.805 55 L CB -0.391 41.711 42.059 0.072 0.000 0.963 55 L HN 0.267 nan 8.230 nan 0.000 0.459 56 K N 1.581 122.026 120.400 0.076 0.000 2.057 56 K HA -0.026 4.338 4.320 0.073 0.000 0.206 56 K C 0.718 177.349 176.600 0.050 0.000 1.050 56 K CA 1.473 57.805 56.287 0.075 0.000 0.935 56 K CB 0.031 32.595 32.500 0.106 0.000 0.715 56 K HN 0.165 nan 8.250 nan 0.000 0.439 57 A N 0.723 123.565 122.820 0.036 0.000 3.216 57 A HA 0.349 4.713 4.320 0.073 0.000 0.321 57 A C -2.168 175.421 177.584 0.008 0.000 1.042 57 A CA -1.066 50.988 52.037 0.028 0.000 0.838 57 A CB 0.692 19.712 19.000 0.033 0.000 1.136 57 A HN 0.179 nan 8.150 nan 0.000 0.483 58 P HA -0.132 nan 4.420 nan 0.000 0.220 58 P C 0.236 177.529 177.300 -0.011 0.000 1.148 58 P CA 1.136 64.235 63.100 -0.002 0.000 0.803 58 P CB 0.337 32.039 31.700 0.005 0.000 0.782 59 D N -0.666 119.732 120.400 -0.003 0.000 2.347 59 D HA 0.000 4.684 4.640 0.073 0.000 0.213 59 D C 0.450 176.737 176.300 -0.022 0.000 0.985 59 D CA 0.634 54.629 54.000 -0.009 0.000 0.879 59 D CB -0.371 40.431 40.800 0.003 0.000 0.919 59 D HN 0.158 nan 8.370 nan 0.000 0.526 60 T N 2.778 117.317 114.554 -0.026 0.000 2.870 60 T HA 0.237 4.631 4.350 0.073 0.000 0.300 60 T C 0.634 175.288 174.700 -0.077 0.000 0.989 60 T CA -0.206 61.862 62.100 -0.053 0.000 1.139 60 T CB 1.168 70.000 68.868 -0.060 0.000 0.920 60 T HN 0.137 nan 8.240 nan 0.000 0.537 61 R N 1.752 122.196 120.500 -0.093 0.000 2.764 61 R HA 0.606 4.990 4.340 0.073 0.000 0.270 61 R C -1.501 174.733 176.300 -0.110 0.000 1.014 61 R CA -0.976 55.064 56.100 -0.099 0.000 0.904 61 R CB 1.146 31.396 30.300 -0.082 0.000 1.236 61 R HN 0.748 nan 8.270 nan 0.000 0.466 62 N N -1.759 116.881 118.700 -0.099 0.000 2.927 62 N HA 0.092 4.876 4.740 0.073 0.000 0.248 62 N C 0.071 175.537 175.510 -0.073 0.000 1.443 62 N CA -0.555 52.449 53.050 -0.077 0.000 0.870 62 N CB 0.750 39.222 38.487 -0.026 0.000 1.444 62 N HN 0.719 nan 8.380 nan 0.000 0.519 63 E N -0.202 119.969 120.200 -0.048 0.000 2.118 63 E HA -0.287 4.106 4.350 0.073 0.000 0.195 63 E C 1.053 177.588 176.600 -0.109 0.000 0.992 63 E CA 1.541 57.909 56.400 -0.055 0.000 0.804 63 E CB 0.082 29.775 29.700 -0.013 0.000 0.741 63 E HN 0.498 nan 8.360 nan 0.000 0.458 64 K N 0.687 120.991 120.400 -0.161 0.000 2.062 64 K HA -0.072 4.292 4.320 0.073 0.000 0.205 64 K C 2.108 178.558 176.600 -0.251 0.000 1.051 64 K CA 1.117 57.217 56.287 -0.311 0.000 0.941 64 K CB -0.380 31.767 32.500 -0.587 0.000 0.719 64 K HN 0.182 nan 8.250 nan 0.000 0.440 65 L N 0.967 122.061 121.223 -0.215 0.000 2.131 65 L HA -0.188 4.196 4.340 0.073 0.000 0.210 65 L C 1.770 178.538 176.870 -0.171 0.000 1.092 65 L CA 1.140 55.831 54.840 -0.247 0.000 0.759 65 L CB -0.584 41.315 42.059 -0.268 0.000 0.903 65 L HN 0.244 nan 8.230 nan 0.000 0.435 66 N N -0.333 118.288 118.700 -0.131 0.000 2.188 66 N HA -0.143 4.641 4.740 0.073 0.000 0.184 66 N C 2.074 177.528 175.510 -0.093 0.000 1.018 66 N CA 1.635 54.627 53.050 -0.096 0.000 0.858 66 N CB -0.469 37.974 38.487 -0.074 0.000 0.989 66 N HN 0.363 nan 8.380 nan 0.000 0.426 67 S N 0.594 116.229 115.700 -0.109 0.000 2.447 67 S HA 0.020 4.534 4.470 0.073 0.000 0.233 67 S C 1.834 176.372 174.600 -0.102 0.000 1.006 67 S CA 0.451 58.592 58.200 -0.099 0.000 0.957 67 S CB -0.528 62.606 63.200 -0.111 0.000 0.773 67 S HN 0.235 nan 8.310 nan 0.000 0.507 68 L N 0.768 121.917 121.223 -0.124 0.000 2.552 68 L HA 0.163 4.547 4.340 0.073 0.000 0.227 68 L C 2.653 179.476 176.870 -0.078 0.000 1.146 68 L CA 0.598 55.373 54.840 -0.108 0.000 0.858 68 L CB -0.403 41.577 42.059 -0.133 0.000 0.969 68 L HN 0.273 nan 8.230 nan 0.000 0.451 69 E N 1.205 121.362 120.200 -0.071 0.000 2.118 69 E HA -0.265 4.129 4.350 0.073 0.000 0.195 69 E C 1.651 178.230 176.600 -0.036 0.000 0.992 69 E CA 1.654 58.025 56.400 -0.050 0.000 0.804 69 E CB -0.051 29.622 29.700 -0.044 0.000 0.741 69 E HN 0.588 nan 8.360 nan 0.000 0.458 70 D N -0.576 119.801 120.400 -0.037 0.000 2.263 70 D HA -0.138 4.546 4.640 0.073 0.000 0.208 70 D C 1.638 177.923 176.300 -0.026 0.000 0.971 70 D CA 1.423 55.406 54.000 -0.029 0.000 0.867 70 D CB -0.382 40.401 40.800 -0.029 0.000 0.929 70 D HN 0.298 nan 8.370 nan 0.000 0.492 71 V N -3.478 116.419 119.914 -0.029 0.000 3.578 71 V HA 0.316 4.479 4.120 0.073 0.000 0.290 71 V C 0.834 176.919 176.094 -0.015 0.000 1.376 71 V CA -0.645 61.643 62.300 -0.021 0.000 1.083 71 V CB -0.626 31.185 31.823 -0.021 0.000 0.911 71 V HN -0.145 nan 8.190 nan 0.000 0.433 72 R N 2.882 123.372 120.500 -0.017 0.000 2.491 72 R HA 0.438 4.822 4.340 0.073 0.000 0.283 72 R C -0.322 175.975 176.300 -0.005 0.000 1.072 72 R CA 0.025 56.122 56.100 -0.005 0.000 1.048 72 R CB 0.642 30.938 30.300 -0.006 0.000 0.983 72 R HN 0.575 nan 8.270 nan 0.000 0.450 73 K N 1.237 121.637 120.400 0.001 0.000 2.376 73 K HA 0.392 4.756 4.320 0.073 0.000 0.257 73 K C 0.040 176.649 176.600 0.015 0.000 0.939 73 K CA -0.835 55.441 56.287 -0.019 0.000 0.809 73 K CB 2.298 34.766 32.500 -0.054 0.000 1.121 73 K HN 0.612 nan 8.250 nan 0.000 0.425 74 G N 0.792 109.615 108.800 0.037 0.000 2.546 74 G HA2 0.267 4.270 3.960 0.073 0.000 0.239 74 G HA3 0.267 4.270 3.960 0.073 0.000 0.239 74 G C 0.483 175.469 174.900 0.144 0.000 1.476 74 G CA 0.330 45.504 45.100 0.123 0.000 1.064 74 G HN 0.798 nan 8.290 nan 0.000 0.561 75 S N -3.146 112.731 115.700 0.294 0.000 1.773 75 S HA 0.033 4.547 4.470 0.073 0.000 0.203 75 S C 0.163 174.938 174.600 0.292 0.000 0.762 75 S CA 0.011 58.398 58.200 0.311 0.000 1.503 75 S CB -0.359 62.927 63.200 0.144 0.000 0.926 75 S HN 0.496 nan 8.310 nan 0.000 0.380 76 E N 2.849 123.143 120.200 0.158 0.000 2.465 76 E HA 0.187 4.580 4.350 0.073 0.000 0.260 76 E C -0.100 176.441 176.600 -0.098 0.000 0.980 76 E CA 0.433 56.858 56.400 0.042 0.000 0.927 76 E CB 0.052 29.764 29.700 0.020 0.000 0.934 76 E HN 0.433 nan 8.360 nan 0.000 0.459 77 N N 0.888 119.532 118.700 -0.094 0.000 2.936 77 N HA -0.220 4.563 4.740 0.073 0.000 0.236 77 N C -0.955 174.409 175.510 -0.243 0.000 0.930 77 N CA 1.129 54.069 53.050 -0.183 0.000 0.966 77 N CB -1.172 37.159 38.487 -0.261 0.000 1.090 77 N HN 0.385 nan 8.380 nan 0.000 0.592 78 Y N 0.684 120.989 120.300 0.009 0.000 2.403 78 Y HA 0.613 5.207 4.550 0.074 0.000 0.323 78 Y C 0.994 176.897 175.900 0.005 0.000 1.226 78 Y CA -0.333 57.772 58.100 0.007 0.000 1.235 78 Y CB 0.883 39.348 38.460 0.008 0.000 1.248 78 Y HN 0.097 nan 8.280 nan 0.000 0.489 79 A N 2.178 125.116 122.820 0.197 0.000 2.340 79 A HA 0.449 4.812 4.320 0.073 0.000 0.268 79 A C -0.885 176.751 177.584 0.085 0.000 1.100 79 A CA -0.570 51.529 52.037 0.104 0.000 0.803 79 A CB 0.165 19.211 19.000 0.077 0.000 1.043 79 A HN 0.694 nan 8.150 nan 0.000 0.488 80 L N 2.882 124.135 121.223 0.050 0.000 2.410 80 L HA 0.517 4.901 4.340 0.073 0.000 0.273 80 L C 0.615 177.494 176.870 0.016 0.000 1.144 80 L CA 1.135 55.991 54.840 0.026 0.000 0.863 80 L CB 0.294 42.359 42.059 0.012 0.000 1.140 80 L HN 0.922 nan 8.230 nan 0.000 0.463 81 T N 0.439 114.997 114.554 0.006 0.000 2.838 81 T HA 0.686 5.080 4.350 0.073 0.000 0.292 81 T C 0.188 174.887 174.700 -0.000 0.000 1.113 81 T CA -0.168 61.938 62.100 0.008 0.000 1.008 81 T CB 1.042 69.917 68.868 0.012 0.000 1.259 81 T HN 0.776 nan 8.240 nan 0.000 0.520 82 T N 0.072 114.638 114.554 0.021 0.000 2.732 82 T HA 0.276 4.670 4.350 0.073 0.000 0.287 82 T C 0.990 175.702 174.700 0.020 0.000 0.993 82 T CA -0.612 61.507 62.100 0.032 0.000 0.966 82 T CB -0.022 68.904 68.868 0.097 0.000 1.047 82 T HN 0.561 nan 8.240 nan 0.000 0.527 83 N N 0.443 119.157 118.700 0.022 0.000 2.512 83 N HA -0.049 4.735 4.740 0.073 0.000 0.183 83 N C 1.423 176.948 175.510 0.025 0.000 1.073 83 N CA 0.476 53.532 53.050 0.010 0.000 0.911 83 N CB -0.124 38.375 38.487 0.019 0.000 0.964 83 N HN 0.542 nan 8.380 nan 0.000 0.447 84 Q N -0.606 119.221 119.800 0.045 0.000 2.319 84 Q HA 0.212 4.596 4.340 0.073 0.000 0.202 84 Q C 0.777 176.796 176.000 0.033 0.000 0.896 84 Q CA 0.092 55.919 55.803 0.039 0.000 0.942 84 Q CB 0.493 29.261 28.738 0.051 0.000 1.083 84 Q HN 0.365 nan 8.270 nan 0.000 0.510 85 G N 0.660 109.478 108.800 0.030 0.000 2.136 85 G HA2 -0.237 3.767 3.960 0.073 0.000 0.242 85 G HA3 -0.237 3.767 3.960 0.073 0.000 0.242 85 G C 0.078 175.003 174.900 0.041 0.000 0.989 85 G CA 0.167 45.281 45.100 0.023 0.000 0.682 85 G HN 0.216 nan 8.290 nan 0.000 0.522 86 V N 1.699 121.653 119.914 0.067 0.000 2.432 86 V HA 0.348 4.511 4.120 0.073 0.000 0.271 86 V C 1.315 177.447 176.094 0.062 0.000 1.046 86 V CA -0.565 61.786 62.300 0.086 0.000 0.945 86 V CB 0.984 32.905 31.823 0.163 0.000 0.992 86 V HN 0.422 nan 8.190 nan 0.000 0.471 87 R N 4.387 124.917 120.500 0.050 0.000 2.590 87 R HA 0.368 4.751 4.340 0.073 0.000 0.274 87 R C -0.508 175.805 176.300 0.022 0.000 1.061 87 R CA -0.126 55.995 56.100 0.034 0.000 1.081 87 R CB 0.550 30.870 30.300 0.034 0.000 0.984 87 R HN 0.566 nan 8.270 nan 0.000 0.448 88 I N 1.656 122.228 120.570 0.002 0.000 2.385 88 I HA 0.121 4.335 4.170 0.073 0.000 0.294 88 I C 0.978 177.084 176.117 -0.017 0.000 0.988 88 I CA 0.072 61.358 61.300 -0.024 0.000 1.265 88 I CB 1.871 39.847 38.000 -0.041 0.000 1.388 88 I HN 0.769 nan 8.210 nan 0.000 0.480 89 A N 3.757 126.563 122.820 -0.023 0.000 1.924 89 A HA 0.040 4.404 4.320 0.073 0.000 0.211 89 A C 0.604 178.174 177.584 -0.024 0.000 1.198 89 A CA 0.828 52.855 52.037 -0.016 0.000 0.657 89 A CB 0.089 19.081 19.000 -0.012 0.000 0.852 89 A HN 0.680 nan 8.150 nan 0.000 0.454 90 D N -0.565 119.813 120.400 -0.037 0.000 2.469 90 D HA 0.345 5.029 4.640 0.073 0.000 0.251 90 D C -1.336 174.934 176.300 -0.051 0.000 1.173 90 D CA -0.347 53.630 54.000 -0.039 0.000 0.882 90 D CB 1.369 42.147 40.800 -0.037 0.000 1.129 90 D HN 0.060 nan 8.370 nan 0.000 0.549 91 D N 2.041 122.414 120.400 -0.045 0.000 2.358 91 D HA 0.044 4.728 4.640 0.073 0.000 0.224 91 D C 0.718 176.987 176.300 -0.051 0.000 1.123 91 D CA 0.256 54.225 54.000 -0.052 0.000 0.833 91 D CB 0.534 41.309 40.800 -0.042 0.000 0.946 91 D HN 0.206 nan 8.370 nan 0.000 0.505 92 Q N -0.570 119.201 119.800 -0.047 0.000 2.350 92 Q HA 0.262 4.646 4.340 0.073 0.000 0.225 92 Q C -0.102 175.870 176.000 -0.048 0.000 0.878 92 Q CA 0.342 56.118 55.803 -0.045 0.000 0.935 92 Q CB 0.638 29.355 28.738 -0.036 0.000 1.099 92 Q HN 0.226 nan 8.270 nan 0.000 0.527 93 N N -0.140 118.529 118.700 -0.050 0.000 2.284 93 N HA 0.324 5.108 4.740 0.073 0.000 0.289 93 N C -0.939 174.538 175.510 -0.056 0.000 1.179 93 N CA -0.287 52.733 53.050 -0.048 0.000 0.774 93 N CB 2.049 40.513 38.487 -0.039 0.000 1.548 93 N HN -0.188 nan 8.380 nan 0.000 0.473 94 S N 0.691 116.361 115.700 -0.050 0.000 2.617 94 S HA 0.287 4.801 4.470 0.073 0.000 0.269 94 S C 0.107 174.682 174.600 -0.042 0.000 1.292 94 S CA -0.573 57.597 58.200 -0.051 0.000 1.010 94 S CB 0.715 63.891 63.200 -0.039 0.000 0.944 94 S HN 0.378 nan 8.310 nan 0.000 0.536 95 L N 3.511 124.709 121.223 -0.042 0.000 2.313 95 L HA 0.402 4.786 4.340 0.073 0.000 0.282 95 L C 0.083 176.945 176.870 -0.013 0.000 1.092 95 L CA 0.432 55.256 54.840 -0.027 0.000 0.831 95 L CB -0.175 41.871 42.059 -0.022 0.000 1.159 95 L HN 0.705 nan 8.230 nan 0.000 0.442 96 R N 4.129 124.623 120.500 -0.010 0.000 2.836 96 R HA 0.858 5.241 4.340 0.073 0.000 0.269 96 R C -1.048 175.252 176.300 -0.001 0.000 1.010 96 R CA -0.868 55.228 56.100 -0.005 0.000 0.930 96 R CB 1.088 31.383 30.300 -0.009 0.000 1.218 96 R HN 0.560 nan 8.270 nan 0.000 0.473 97 A N 1.181 124.001 122.820 0.001 0.000 2.807 97 A HA 0.581 4.945 4.320 0.073 0.000 0.307 97 A C 0.517 178.101 177.584 0.000 0.000 1.532 97 A CA 0.282 52.320 52.037 0.003 0.000 1.215 97 A CB -0.973 18.029 19.000 0.005 0.000 1.127 97 A HN 1.181 nan 8.150 nan 0.000 0.543 98 G N 0.918 109.718 108.800 -0.001 0.000 2.712 98 G HA2 0.060 4.064 3.960 0.073 0.000 0.686 98 G HA3 0.060 4.064 3.960 0.073 0.000 0.686 98 G C 0.654 175.551 174.900 -0.005 0.000 1.181 98 G CA 0.085 45.183 45.100 -0.002 0.000 0.762 98 G HN 1.740 nan 8.290 nan 0.000 0.641 99 S N 0.192 115.888 115.700 -0.006 0.000 2.469 99 S HA -0.041 4.473 4.470 0.073 0.000 0.238 99 S C 1.672 176.267 174.600 -0.009 0.000 0.998 99 S CA 1.592 59.787 58.200 -0.009 0.000 0.957 99 S CB 0.133 63.327 63.200 -0.009 0.000 0.764 99 S HN 0.780 nan 8.310 nan 0.000 0.514 100 R N 0.656 121.151 120.500 -0.008 0.000 2.543 100 R HA 0.336 4.720 4.340 0.073 0.000 0.323 100 R C 0.864 177.161 176.300 -0.006 0.000 1.002 100 R CA 0.054 56.149 56.100 -0.007 0.000 1.106 100 R CB 0.412 30.708 30.300 -0.006 0.000 1.280 100 R HN 0.480 nan 8.270 nan 0.000 0.549 101 G N 0.941 109.738 108.800 -0.005 0.000 2.557 101 G HA2 0.359 4.363 3.960 0.073 0.000 0.302 101 G HA3 0.359 4.363 3.960 0.073 0.000 0.302 101 G C -2.469 172.429 174.900 -0.004 0.000 1.311 101 G CA -1.019 44.079 45.100 -0.003 0.000 1.030 101 G HN -0.025 nan 8.290 nan 0.000 0.509 102 P HA 0.217 nan 4.420 nan 0.000 0.275 102 P C -0.119 177.181 177.300 -0.001 0.000 1.227 102 P CA -0.070 63.029 63.100 -0.001 0.000 0.781 102 P CB 0.815 32.517 31.700 0.002 0.000 0.906 103 T N 3.096 117.649 114.554 -0.002 0.000 2.930 103 T HA 0.218 4.612 4.350 0.073 0.000 0.306 103 T C 0.565 175.268 174.700 0.006 0.000 1.045 103 T CA -0.046 62.053 62.100 -0.002 0.000 1.134 103 T CB -0.011 68.854 68.868 -0.005 0.000 0.961 103 T HN 0.190 nan 8.240 nan 0.000 0.545 104 L N 3.371 124.600 121.223 0.008 0.000 2.357 104 L HA 0.318 4.702 4.340 0.073 0.000 0.273 104 L C 1.416 178.303 176.870 0.028 0.000 1.080 104 L CA -0.819 54.032 54.840 0.019 0.000 0.803 104 L CB 0.749 42.821 42.059 0.022 0.000 1.174 104 L HN 0.497 nan 8.230 nan 0.000 0.443 105 L N 2.029 123.272 121.223 0.034 0.000 2.191 105 L HA -0.182 4.202 4.340 0.073 0.000 0.212 105 L C 2.314 179.224 176.870 0.067 0.000 1.103 105 L CA 1.602 56.469 54.840 0.044 0.000 0.769 105 L CB -0.595 41.488 42.059 0.039 0.000 0.908 105 L HN 0.785 nan 8.230 nan 0.000 0.438 106 E N -1.652 118.593 120.200 0.074 0.000 2.516 106 E HA -0.168 4.226 4.350 0.073 0.000 0.199 106 E C 0.185 176.890 176.600 0.175 0.000 1.069 106 E CA 0.220 56.692 56.400 0.120 0.000 0.876 106 E CB -0.485 29.278 29.700 0.104 0.000 0.843 106 E HN 0.340 nan 8.360 nan 0.000 0.530 107 D N 1.138 121.593 120.400 0.092 0.000 2.455 107 D HA -0.031 4.653 4.640 0.073 0.000 0.234 107 D C 0.350 176.661 176.300 0.018 0.000 1.224 107 D CA -0.496 53.510 54.000 0.009 0.000 0.999 107 D CB -0.111 40.666 40.800 -0.037 0.000 1.072 107 D HN 0.302 nan 8.370 nan 0.000 0.514 108 F N 1.904 121.862 119.950 0.014 0.000 2.456 108 F HA 0.131 4.699 4.527 0.069 0.000 0.298 108 F C 1.581 177.394 175.800 0.021 0.000 1.104 108 F CA 0.055 58.066 58.000 0.019 0.000 1.435 108 F CB -0.587 38.423 39.000 0.017 0.000 1.078 108 F HN 0.174 nan 8.300 nan 0.000 0.546 109 I N 0.498 120.630 120.570 -0.730 0.000 2.233 109 I HA -0.188 4.026 4.170 0.073 0.000 0.243 109 I C 2.473 178.478 176.117 -0.186 0.000 1.093 109 I CA 1.090 62.104 61.300 -0.476 0.000 1.380 109 I CB -0.472 37.197 38.000 -0.550 0.000 1.067 109 I HN 0.290 nan 8.210 nan 0.000 0.413 110 L N 0.995 122.122 121.223 -0.161 0.000 2.017 110 L HA -0.167 4.217 4.340 0.073 0.000 0.208 110 L C 2.632 179.494 176.870 -0.014 0.000 1.073 110 L CA 1.794 56.589 54.840 -0.075 0.000 0.745 110 L CB -0.491 41.530 42.059 -0.064 0.000 0.894 110 L HN 0.032 nan 8.230 nan 0.000 0.432 111 R N -0.531 119.979 120.500 0.017 0.000 2.092 111 R HA -0.166 4.218 4.340 0.073 0.000 0.231 111 R C 2.302 178.659 176.300 0.096 0.000 1.119 111 R CA 1.489 57.629 56.100 0.067 0.000 0.970 111 R CB -0.350 30.003 30.300 0.088 0.000 0.864 111 R HN 0.597 nan 8.270 nan 0.000 0.440 112 E N 1.243 121.501 120.200 0.096 0.000 2.047 112 E HA -0.233 4.161 4.350 0.073 0.000 0.191 112 E C 1.914 178.592 176.600 0.129 0.000 0.987 112 E CA 1.200 57.674 56.400 0.124 0.000 0.799 112 E CB 0.106 29.882 29.700 0.126 0.000 0.752 112 E HN 0.139 nan 8.360 nan 0.000 0.449 113 K N 0.295 120.741 120.400 0.076 0.000 2.009 113 K HA -0.160 4.204 4.320 0.073 0.000 0.210 113 K C 2.155 178.838 176.600 0.138 0.000 1.049 113 K CA 1.577 57.910 56.287 0.078 0.000 0.929 113 K CB -0.072 32.431 32.500 0.005 0.000 0.714 113 K HN 0.151 nan 8.250 nan 0.000 0.440 114 I N 1.251 121.883 120.570 0.105 0.000 2.252 114 I HA -0.190 4.024 4.170 0.073 0.000 0.245 114 I C 2.213 178.462 176.117 0.221 0.000 1.102 114 I CA 1.351 62.737 61.300 0.145 0.000 1.385 114 I CB -1.546 36.499 38.000 0.075 0.000 1.064 114 I HN 0.254 nan 8.210 nan 0.000 0.414 115 T N -0.121 114.551 114.554 0.197 0.000 2.684 115 T HA -0.239 4.155 4.350 0.073 0.000 0.267 115 T C 1.969 176.845 174.700 0.292 0.000 1.036 115 T CA 1.594 63.843 62.100 0.248 0.000 1.148 115 T CB -0.468 68.532 68.868 0.220 0.000 0.863 115 T HN 0.356 nan 8.240 nan 0.000 0.436 116 H N -0.088 119.092 119.070 0.185 0.000 2.321 116 H HA -0.091 4.506 4.556 0.070 0.000 0.300 116 H C 2.241 177.642 175.328 0.122 0.000 1.087 116 H CA 1.806 57.942 56.048 0.147 0.000 1.319 116 H CB -0.492 29.331 29.762 0.101 0.000 1.379 116 H HN 0.401 nan 8.280 nan 0.000 0.501 117 F N 2.139 122.167 119.950 0.129 0.000 2.091 117 F HA -0.236 4.258 4.527 -0.055 0.000 0.299 117 F C 2.103 177.863 175.800 -0.066 0.000 1.103 117 F CA 1.970 59.991 58.000 0.034 0.000 1.228 117 F CB -0.391 38.622 39.000 0.022 0.000 0.984 117 F HN 0.093 nan 8.300 nan 0.000 0.477 118 D N -1.001 119.340 120.400 -0.098 0.000 2.221 118 D HA -0.176 4.508 4.640 0.073 0.000 0.204 118 D C 1.373 177.312 176.300 -0.601 0.000 0.982 118 D CA 1.354 55.139 54.000 -0.358 0.000 0.857 118 D CB -0.497 40.114 40.800 -0.316 0.000 0.934 118 D HN 0.518 nan 8.370 nan 0.000 0.475 119 H N 0.088 119.033 119.070 -0.208 0.000 2.488 119 H HA 0.209 4.841 4.556 0.128 0.000 0.294 119 H C 0.978 176.132 175.328 -0.291 0.000 1.088 119 H CA -0.017 55.901 56.048 -0.216 0.000 1.086 119 H CB 0.415 30.068 29.762 -0.183 0.000 1.569 119 H HN 0.316 nan 8.280 nan 0.000 0.548 120 E N 0.677 120.697 120.200 -0.300 0.000 2.152 120 E HA -0.027 4.366 4.350 0.073 0.000 0.192 120 E C 0.576 177.020 176.600 -0.260 0.000 0.983 120 E CA 0.399 56.596 56.400 -0.337 0.000 0.818 120 E CB 0.463 29.938 29.700 -0.375 0.000 0.758 120 E HN 0.210 nan 8.360 nan 0.000 0.467 121 R N 1.335 121.739 120.500 -0.160 0.000 2.490 121 R HA 0.373 4.756 4.340 0.073 0.000 0.278 121 R C 0.480 176.815 176.300 0.058 0.000 1.069 121 R CA -0.207 55.875 56.100 -0.029 0.000 1.080 121 R CB 0.723 30.994 30.300 -0.048 0.000 1.030 121 R HN 0.139 nan 8.270 nan 0.000 0.491 122 I N -1.381 119.279 120.570 0.151 0.000 2.892 122 I HA 0.550 4.763 4.170 0.073 0.000 0.306 122 I C -2.333 173.834 176.117 0.084 0.000 1.078 122 I CA -3.054 58.323 61.300 0.127 0.000 1.032 122 I CB 1.873 39.976 38.000 0.171 0.000 1.229 122 I HN 0.240 nan 8.210 nan 0.000 0.435 123 P HA 0.084 nan 4.420 nan 0.000 0.265 123 P C -0.756 176.563 177.300 0.032 0.000 1.193 123 P CA 0.010 63.127 63.100 0.029 0.000 0.765 123 P CB 0.395 32.102 31.700 0.012 0.000 0.823 124 E N 2.875 123.095 120.200 0.035 0.000 2.391 124 E HA 0.178 4.572 4.350 0.073 0.000 0.255 124 E C -0.402 176.209 176.600 0.019 0.000 1.187 124 E CA -0.833 55.592 56.400 0.041 0.000 0.941 124 E CB 0.616 30.345 29.700 0.048 0.000 1.010 124 E HN 0.261 nan 8.360 nan 0.000 0.458 125 R N 0.599 121.113 120.500 0.023 0.000 2.623 125 R HA 0.004 4.388 4.340 0.073 0.000 0.271 125 R C 1.122 177.427 176.300 0.007 0.000 1.043 125 R CA -0.110 55.994 56.100 0.006 0.000 1.083 125 R CB 0.237 30.550 30.300 0.022 0.000 0.974 125 R HN 0.626 nan 8.270 nan 0.000 0.436 126 I N 3.089 123.654 120.570 -0.009 0.000 2.208 126 I HA -0.201 4.013 4.170 0.073 0.000 0.245 126 I C 0.442 176.579 176.117 0.033 0.000 1.097 126 I CA 1.458 62.763 61.300 0.009 0.000 1.363 126 I CB 0.358 38.360 38.000 0.004 0.000 1.051 126 I HN 0.416 nan 8.210 nan 0.000 0.413 127 V N -3.206 116.739 119.914 0.052 0.000 3.040 127 V HA 0.837 5.000 4.120 0.073 0.000 0.312 127 V C 0.486 176.629 176.094 0.082 0.000 1.115 127 V CA -0.920 61.433 62.300 0.088 0.000 0.998 127 V CB 0.884 32.812 31.823 0.175 0.000 1.042 127 V HN 0.627 nan 8.190 nan 0.000 0.433 128 A N 0.621 123.499 122.820 0.096 0.000 2.872 128 A HA -0.102 4.262 4.320 0.073 0.000 0.273 128 A C 1.678 179.307 177.584 0.076 0.000 1.442 128 A CA 1.708 53.796 52.037 0.086 0.000 0.801 128 A CB -1.898 17.142 19.000 0.066 0.000 1.031 128 A HN 2.613 nan 8.150 nan 0.000 0.582 129 A N -0.631 122.233 122.820 0.074 0.000 1.933 129 A HA 0.113 4.477 4.320 0.073 0.000 0.218 129 A C 1.425 179.075 177.584 0.111 0.000 1.175 129 A CA 1.907 53.991 52.037 0.078 0.000 0.628 129 A CB -0.140 18.896 19.000 0.061 0.000 0.814 129 A HN 1.209 nan 8.150 nan 0.000 0.444 130 R N 0.522 121.092 120.500 0.116 0.000 2.220 130 R HA 0.490 4.874 4.340 0.073 0.000 0.340 130 R C -0.153 176.252 176.300 0.176 0.000 1.076 130 R CA 0.596 56.786 56.100 0.149 0.000 0.920 130 R CB -0.158 30.223 30.300 0.136 0.000 1.062 130 R HN 0.345 nan 8.270 nan 0.000 0.469 131 G N 0.897 109.828 108.800 0.218 0.000 2.698 131 G HA2 0.506 4.510 3.960 0.073 0.000 0.293 131 G HA3 0.506 4.510 3.960 0.073 0.000 0.293 131 G C -1.569 173.489 174.900 0.264 0.000 1.437 131 G CA -0.586 44.620 45.100 0.175 0.000 0.852 131 G HN 0.457 nan 8.290 nan 0.000 0.499 132 S N -0.813 114.997 115.700 0.183 0.000 2.521 132 S HA 0.875 5.389 4.470 0.073 0.000 0.295 132 S C 0.016 174.631 174.600 0.024 0.000 1.098 132 S CA -0.241 58.116 58.200 0.262 0.000 0.999 132 S CB 1.728 65.193 63.200 0.441 0.000 1.034 132 S HN 1.397 nan 8.310 nan 0.000 0.483 133 A N 1.675 124.461 122.820 -0.055 0.000 2.435 133 A HA 1.051 5.414 4.320 0.073 0.000 0.296 133 A C -0.833 176.556 177.584 -0.325 0.000 1.147 133 A CA -0.794 51.002 52.037 -0.402 0.000 0.775 133 A CB 1.562 20.131 19.000 -0.720 0.000 1.340 133 A HN 1.432 nan 8.150 nan 0.000 0.427 134 A N 0.086 122.531 122.820 -0.626 0.000 2.605 134 A HA 0.650 5.013 4.320 0.073 0.000 0.294 134 A C -1.068 176.312 177.584 -0.340 0.000 1.062 134 A CA -0.692 51.154 52.037 -0.318 0.000 0.682 134 A CB 0.524 19.441 19.000 -0.138 0.000 1.278 134 A HN 0.888 nan 8.150 nan 0.000 0.410 135 H N -0.140 118.936 119.070 0.010 0.000 2.505 135 H HA 0.686 5.285 4.556 0.072 0.000 0.355 135 H C 0.685 176.011 175.328 -0.003 0.000 1.179 135 H CA 0.747 56.864 56.048 0.115 0.000 1.343 135 H CB 1.766 31.608 29.762 0.133 0.000 1.501 135 H HN 1.170 nan 8.280 nan 0.000 0.569 136 G N 0.234 109.135 108.800 0.168 0.000 2.494 136 G HA2 0.358 4.362 3.960 0.073 0.000 0.308 136 G HA3 0.358 4.362 3.960 0.073 0.000 0.308 136 G C -2.077 172.967 174.900 0.240 0.000 1.263 136 G CA -0.684 44.484 45.100 0.113 0.000 0.840 136 G HN 0.655 nan 8.290 nan 0.000 0.479 137 Y N -1.759 118.579 120.300 0.063 0.000 2.597 137 Y HA 0.842 5.435 4.550 0.072 0.000 0.340 137 Y C -1.774 174.267 175.900 0.235 0.000 1.097 137 Y CA -1.906 56.278 58.100 0.140 0.000 1.037 137 Y CB 1.986 40.500 38.460 0.091 0.000 1.305 137 Y HN 0.807 nan 8.280 nan 0.000 0.463 138 F N 2.416 122.492 119.950 0.210 0.000 2.563 138 F HA 0.662 5.233 4.527 0.073 0.000 0.316 138 F C -1.243 174.738 175.800 0.303 0.000 1.076 138 F CA -0.577 57.557 58.000 0.224 0.000 0.921 138 F CB 2.332 41.612 39.000 0.466 0.000 1.209 138 F HN 0.795 nan 8.300 nan 0.000 0.462 139 Q N 7.410 126.628 119.800 -0.970 0.000 2.268 139 Q HA 0.464 4.848 4.340 0.073 0.000 0.266 139 Q C -3.070 172.269 176.000 -1.102 0.000 1.006 139 Q CA -2.281 53.117 55.803 -0.675 0.000 0.824 139 Q CB 2.977 31.634 28.738 -0.135 0.000 1.306 139 Q HN 0.350 nan 8.270 nan 0.000 0.424 140 P HA 0.037 nan 4.420 nan 0.000 0.275 140 P C -0.433 176.719 177.300 -0.246 0.000 1.228 140 P CA 0.124 62.976 63.100 -0.413 0.000 0.786 140 P CB 0.521 32.172 31.700 -0.082 0.000 0.927 141 Y N 1.235 121.478 120.300 -0.095 0.000 2.314 141 Y HA -0.084 4.510 4.550 0.073 0.000 0.293 141 Y C 1.569 177.446 175.900 -0.040 0.000 1.129 141 Y CA 0.619 58.684 58.100 -0.059 0.000 1.201 141 Y CB 0.146 38.581 38.460 -0.041 0.000 0.999 141 Y HN 0.369 nan 8.280 nan 0.000 0.541 142 K N -0.954 119.508 120.400 0.104 0.000 2.522 142 K HA 0.425 4.789 4.320 0.073 0.000 0.275 142 K C -1.000 175.608 176.600 0.013 0.000 1.006 142 K CA -0.964 55.355 56.287 0.054 0.000 0.890 142 K CB 1.656 34.190 32.500 0.056 0.000 1.475 142 K HN -0.237 nan 8.250 nan 0.000 0.441 143 S N 0.960 116.664 115.700 0.007 0.000 2.531 143 S HA 0.215 4.729 4.470 0.073 0.000 0.279 143 S C 0.363 174.954 174.600 -0.015 0.000 1.305 143 S CA -0.743 57.451 58.200 -0.009 0.000 1.058 143 S CB -0.111 63.087 63.200 -0.004 0.000 0.899 143 S HN 0.567 nan 8.310 nan 0.000 0.493 144 L N 4.776 125.978 121.223 -0.034 0.000 2.872 144 L HA 0.139 4.523 4.340 0.073 0.000 0.245 144 L C 2.034 178.887 176.870 -0.028 0.000 1.211 144 L CA -0.029 54.797 54.840 -0.022 0.000 1.013 144 L CB -0.185 41.865 42.059 -0.015 0.000 1.326 144 L HN 0.875 nan 8.230 nan 0.000 0.525 145 S N -1.778 113.904 115.700 -0.030 0.000 2.442 145 S HA -0.182 4.332 4.470 0.073 0.000 0.236 145 S C 1.264 175.847 174.600 -0.028 0.000 1.007 145 S CA 1.064 59.244 58.200 -0.032 0.000 0.965 145 S CB -0.143 63.042 63.200 -0.025 0.000 0.773 145 S HN 0.394 nan 8.310 nan 0.000 0.504 146 D N 2.184 122.572 120.400 -0.019 0.000 2.178 146 D HA -0.022 4.662 4.640 0.073 0.000 0.201 146 D C 1.852 178.135 176.300 -0.029 0.000 0.980 146 D CA 1.520 55.508 54.000 -0.020 0.000 0.842 146 D CB -0.248 40.546 40.800 -0.010 0.000 0.948 146 D HN 0.808 nan 8.370 nan 0.000 0.472 147 I N -4.013 116.540 120.570 -0.028 0.000 4.139 147 I HA 0.212 4.426 4.170 0.073 0.000 0.320 147 I C 0.468 176.541 176.117 -0.073 0.000 1.290 147 I CA 0.036 61.309 61.300 -0.045 0.000 1.253 147 I CB 1.039 39.031 38.000 -0.014 0.000 1.122 147 I HN -0.240 nan 8.210 nan 0.000 0.421 148 T N 1.625 116.139 114.554 -0.067 0.000 2.956 148 T HA 0.339 4.732 4.350 0.073 0.000 0.312 148 T C -0.083 174.563 174.700 -0.089 0.000 1.151 148 T CA -0.724 61.318 62.100 -0.097 0.000 1.024 148 T CB 1.784 70.583 68.868 -0.114 0.000 1.140 148 T HN 0.428 nan 8.240 nan 0.000 0.473 149 K N 2.513 122.860 120.400 -0.088 0.000 2.437 149 K HA 0.582 4.946 4.320 0.073 0.000 0.198 149 K C 0.698 177.260 176.600 -0.062 0.000 1.024 149 K CA -0.376 55.872 56.287 -0.065 0.000 1.148 149 K CB 0.253 32.722 32.500 -0.053 0.000 0.860 149 K HN 0.481 nan 8.250 nan 0.000 0.515 150 A N 2.086 124.845 122.820 -0.101 0.000 2.515 150 A HA -0.048 4.315 4.320 0.073 0.000 0.263 150 A C 0.584 178.123 177.584 -0.076 0.000 1.096 150 A CA 0.011 51.995 52.037 -0.087 0.000 0.769 150 A CB -0.025 18.863 19.000 -0.186 0.000 1.040 150 A HN 0.468 nan 8.150 nan 0.000 0.505 151 D N 2.343 122.773 120.400 0.050 0.000 2.133 151 D HA -0.264 4.419 4.640 0.073 0.000 0.195 151 D C 1.355 177.727 176.300 0.120 0.000 0.997 151 D CA 2.431 56.480 54.000 0.081 0.000 0.840 151 D CB -0.243 40.628 40.800 0.119 0.000 0.947 151 D HN 0.763 nan 8.370 nan 0.000 0.452 152 F N -0.719 119.258 119.950 0.045 0.000 2.546 152 F HA 0.143 4.715 4.527 0.074 0.000 0.298 152 F C 1.073 176.959 175.800 0.144 0.000 1.120 152 F CA 0.416 58.480 58.000 0.107 0.000 1.456 152 F CB -0.206 38.854 39.000 0.101 0.000 1.088 152 F HN -0.047 nan 8.300 nan 0.000 0.572 153 L N 0.813 121.711 121.223 -0.542 0.000 2.857 153 L HA 0.201 4.585 4.340 0.073 0.000 0.249 153 L C 1.762 178.538 176.870 -0.156 0.000 1.172 153 L CA 0.315 54.922 54.840 -0.388 0.000 0.980 153 L CB -0.057 41.658 42.059 -0.573 0.000 1.299 153 L HN 0.313 nan 8.230 nan 0.000 0.535 154 S N -2.283 113.368 115.700 -0.082 0.000 2.575 154 S HA 0.073 4.587 4.470 0.073 0.000 0.215 154 S C 0.226 174.823 174.600 -0.005 0.000 0.966 154 S CA -0.195 57.984 58.200 -0.036 0.000 0.911 154 S CB 0.029 63.220 63.200 -0.015 0.000 0.780 154 S HN 0.375 nan 8.310 nan 0.000 0.514 155 D N 0.384 120.790 120.400 0.009 0.000 2.726 155 D HA 0.248 4.932 4.640 0.073 0.000 0.203 155 D C -2.592 173.724 176.300 0.026 0.000 1.297 155 D CA -1.421 52.592 54.000 0.022 0.000 0.863 155 D CB 1.793 42.613 40.800 0.033 0.000 1.669 155 D HN -0.174 nan 8.370 nan 0.000 0.561 156 P HA -0.109 nan 4.420 nan 0.000 0.219 156 P C 0.609 177.927 177.300 0.029 0.000 1.146 156 P CA 0.837 63.950 63.100 0.021 0.000 0.808 156 P CB 0.412 32.134 31.700 0.037 0.000 0.779 157 N N -0.416 118.305 118.700 0.036 0.000 2.412 157 N HA -0.024 4.760 4.740 0.073 0.000 0.184 157 N C 0.758 176.301 175.510 0.055 0.000 1.101 157 N CA 0.372 53.446 53.050 0.040 0.000 0.881 157 N CB -0.100 38.407 38.487 0.033 0.000 0.969 157 N HN 0.276 nan 8.380 nan 0.000 0.459 158 K N 1.706 122.148 120.400 0.070 0.000 2.310 158 K HA 0.163 4.526 4.320 0.073 0.000 0.290 158 K C -0.404 176.288 176.600 0.152 0.000 1.077 158 K CA -0.353 55.999 56.287 0.109 0.000 0.922 158 K CB 0.199 32.775 32.500 0.126 0.000 1.057 158 K HN 0.036 nan 8.250 nan 0.000 0.479 159 I N 1.844 122.507 120.570 0.155 0.000 2.377 159 I HA 0.305 4.519 4.170 0.073 0.000 0.293 159 I C -0.867 175.421 176.117 0.284 0.000 0.987 159 I CA 0.187 61.616 61.300 0.215 0.000 1.185 159 I CB 2.110 40.202 38.000 0.152 0.000 1.341 159 I HN 0.349 nan 8.210 nan 0.000 0.455 160 T N 8.449 123.258 114.554 0.426 0.000 2.770 160 T HA 0.494 4.888 4.350 0.073 0.000 0.283 160 T C -2.576 172.387 174.700 0.438 0.000 0.988 160 T CA -1.108 61.262 62.100 0.450 0.000 0.957 160 T CB 1.194 70.417 68.868 0.592 0.000 0.930 160 T HN 0.474 nan 8.240 nan 0.000 0.443 161 P HA 0.278 nan 4.420 nan 0.000 0.269 161 P C -0.574 176.965 177.300 0.398 0.000 1.209 161 P CA -0.401 62.892 63.100 0.322 0.000 0.776 161 P CB 0.557 32.367 31.700 0.184 0.000 0.876 162 V N -0.252 119.841 119.914 0.298 0.000 3.141 162 V HA 0.759 4.922 4.120 0.073 0.000 0.312 162 V C -1.364 174.889 176.094 0.264 0.000 1.157 162 V CA -0.988 61.393 62.300 0.135 0.000 1.041 162 V CB 2.318 33.996 31.823 -0.241 0.000 1.071 162 V HN 0.341 nan 8.190 nan 0.000 0.441 163 F N 1.406 121.325 119.950 -0.051 0.000 2.617 163 F HA 0.811 5.382 4.527 0.072 0.000 0.325 163 F C -1.038 174.659 175.800 -0.172 0.000 1.179 163 F CA -0.590 57.334 58.000 -0.125 0.000 0.965 163 F CB 1.884 40.832 39.000 -0.086 0.000 1.232 163 F HN 0.515 nan 8.300 nan 0.000 0.461 164 V N 6.568 126.052 119.914 -0.716 0.000 2.495 164 V HA 0.575 4.739 4.120 0.073 0.000 0.298 164 V C -0.606 174.850 176.094 -1.064 0.000 1.031 164 V CA -0.809 60.989 62.300 -0.836 0.000 0.871 164 V CB 1.918 33.180 31.823 -0.935 0.000 0.988 164 V HN 0.718 nan 8.190 nan 0.000 0.432 165 R N 3.713 123.602 120.500 -1.019 0.000 2.439 165 R HA 0.594 4.977 4.340 0.073 0.000 0.310 165 R C -1.572 174.138 176.300 -0.984 0.000 0.955 165 R CA -0.448 55.142 56.100 -0.850 0.000 0.853 165 R CB 1.049 31.064 30.300 -0.474 0.000 1.171 165 R HN 0.544 nan 8.270 nan 0.000 0.449 166 F N 2.194 121.740 119.950 -0.673 0.000 2.397 166 F HA 0.473 5.043 4.527 0.072 0.000 0.331 166 F C 0.638 176.062 175.800 -0.627 0.000 1.090 166 F CA -0.039 57.415 58.000 -0.909 0.000 1.065 166 F CB 1.980 39.918 39.000 -1.770 0.000 1.184 166 F HN 0.609 nan 8.300 nan 0.000 0.499 167 S N -0.655 114.913 115.700 -0.220 0.000 2.643 167 S HA 0.728 5.242 4.470 0.073 0.000 0.270 167 S C -0.608 174.087 174.600 0.158 0.000 1.166 167 S CA -0.803 57.406 58.200 0.015 0.000 0.815 167 S CB 1.498 64.693 63.200 -0.008 0.000 1.139 167 S HN 0.686 nan 8.310 nan 0.000 0.472 168 T N -1.723 112.949 114.554 0.197 0.000 2.892 168 T HA 0.740 5.134 4.350 0.073 0.000 0.280 168 T C 0.701 175.500 174.700 0.164 0.000 1.004 168 T CA -0.244 61.980 62.100 0.208 0.000 0.950 168 T CB 0.605 69.591 68.868 0.197 0.000 1.309 168 T HN 0.601 nan 8.240 nan 0.000 0.592 169 V N -0.202 119.808 119.914 0.160 0.000 2.948 169 V HA 0.115 4.279 4.120 0.073 0.000 0.234 169 V C 2.719 178.875 176.094 0.102 0.000 1.205 169 V CA 0.313 62.709 62.300 0.160 0.000 1.234 169 V CB -0.249 31.709 31.823 0.225 0.000 1.020 169 V HN 0.854 nan 8.190 nan 0.000 0.491 170 Q N 1.088 120.927 119.800 0.065 0.000 2.033 170 Q HA 0.049 4.433 4.340 0.073 0.000 0.196 170 Q C 1.321 177.324 176.000 0.004 0.000 0.970 170 Q CA 1.476 57.283 55.803 0.007 0.000 0.828 170 Q CB -0.422 28.293 28.738 -0.037 0.000 0.895 170 Q HN 0.582 nan 8.270 nan 0.000 0.440 171 G N -0.157 108.654 108.800 0.019 0.000 2.636 171 G HA2 0.353 4.356 3.960 0.073 0.000 0.246 171 G HA3 0.353 4.356 3.960 0.073 0.000 0.246 171 G C 0.155 175.067 174.900 0.020 0.000 1.216 171 G CA 0.082 45.187 45.100 0.008 0.000 0.854 171 G HN 0.356 nan 8.290 nan 0.000 0.572 172 G N -1.182 107.621 108.800 0.005 0.000 2.651 172 G HA2 0.479 4.483 3.960 0.073 0.000 0.260 172 G HA3 0.479 4.483 3.960 0.073 0.000 0.260 172 G C 1.341 176.264 174.900 0.038 0.000 1.216 172 G CA 0.437 45.546 45.100 0.015 0.000 0.913 172 G HN 1.097 nan 8.290 nan 0.000 0.535 173 A N -0.623 122.228 122.820 0.051 0.000 2.076 173 A HA 0.093 4.457 4.320 0.073 0.000 0.220 173 A C 2.232 179.843 177.584 0.045 0.000 1.160 173 A CA 2.022 54.105 52.037 0.077 0.000 0.653 173 A CB -0.401 18.658 19.000 0.099 0.000 0.801 173 A HN 1.121 nan 8.150 nan 0.000 0.455 174 G N -0.269 108.541 108.800 0.017 0.000 3.284 174 G HA2 0.327 4.331 3.960 0.073 0.000 0.236 174 G HA3 0.327 4.331 3.960 0.073 0.000 0.236 174 G C 0.683 175.579 174.900 -0.006 0.000 1.158 174 G CA 0.647 45.743 45.100 -0.006 0.000 0.774 174 G HN 0.663 nan 8.290 nan 0.000 0.545 175 S N -0.205 115.500 115.700 0.009 0.000 2.655 175 S HA 0.730 5.244 4.470 0.073 0.000 0.265 175 S C 0.493 175.103 174.600 0.016 0.000 1.240 175 S CA -0.120 58.084 58.200 0.006 0.000 0.986 175 S CB 1.632 64.840 63.200 0.013 0.000 0.985 175 S HN 0.545 nan 8.310 nan 0.000 0.562 176 A N 0.392 123.216 122.820 0.007 0.000 2.351 176 A HA 0.362 4.726 4.320 0.073 0.000 0.257 176 A C 0.670 178.266 177.584 0.021 0.000 1.087 176 A CA -0.505 51.531 52.037 -0.001 0.000 0.798 176 A CB -0.163 18.820 19.000 -0.028 0.000 1.033 176 A HN 0.883 nan 8.150 nan 0.000 0.488 177 D N 0.455 120.852 120.400 -0.006 0.000 2.137 177 D HA -0.058 4.626 4.640 0.073 0.000 0.202 177 D C 1.566 177.808 176.300 -0.097 0.000 0.970 177 D CA 2.187 56.183 54.000 -0.006 0.000 0.837 177 D CB -0.202 40.552 40.800 -0.077 0.000 0.981 177 D HN 0.682 nan 8.370 nan 0.000 0.475 178 T N -0.055 114.372 114.554 -0.212 0.000 3.327 178 T HA 0.303 4.697 4.350 0.073 0.000 0.241 178 T C 0.817 175.497 174.700 -0.033 0.000 0.907 178 T CA -0.579 61.400 62.100 -0.202 0.000 0.931 178 T CB -0.928 67.740 68.868 -0.334 0.000 1.112 178 T HN -0.100 nan 8.240 nan 0.000 0.589 179 V N -1.291 118.658 119.914 0.058 0.000 3.385 179 V HA 0.479 4.643 4.120 0.073 0.000 0.301 179 V C 0.696 176.930 176.094 0.234 0.000 1.082 179 V CA -1.499 60.886 62.300 0.142 0.000 1.085 179 V CB 0.493 32.391 31.823 0.124 0.000 1.152 179 V HN 0.564 nan 8.190 nan 0.000 0.465 180 R N 1.344 122.030 120.500 0.311 0.000 2.202 180 R HA 0.494 4.878 4.340 0.073 0.000 0.334 180 R C -1.098 175.293 176.300 0.152 0.000 1.036 180 R CA -0.112 56.137 56.100 0.249 0.000 0.878 180 R CB 0.207 30.592 30.300 0.142 0.000 1.067 180 R HN 1.049 nan 8.270 nan 0.000 0.457 181 D N 3.403 123.905 120.400 0.169 0.000 2.710 181 D HA 0.204 4.888 4.640 0.073 0.000 0.276 181 D C -0.542 175.881 176.300 0.206 0.000 1.267 181 D CA -0.612 53.481 54.000 0.155 0.000 0.772 181 D CB 1.330 42.219 40.800 0.148 0.000 1.299 181 D HN 0.253 nan 8.370 nan 0.000 0.421 182 I N 1.319 122.031 120.570 0.237 0.000 2.882 182 I HA 0.246 4.459 4.170 0.073 0.000 0.286 182 I C 0.766 177.028 176.117 0.241 0.000 1.139 182 I CA -0.123 61.322 61.300 0.241 0.000 1.379 182 I CB 0.235 38.405 38.000 0.284 0.000 1.410 182 I HN 0.246 nan 8.210 nan 0.000 0.594 183 R N 2.664 123.306 120.500 0.236 0.000 2.637 183 R HA 0.552 4.936 4.340 0.073 0.000 0.291 183 R C -0.129 176.288 176.300 0.194 0.000 0.963 183 R CA -0.716 55.526 56.100 0.237 0.000 0.901 183 R CB 1.617 32.087 30.300 0.283 0.000 1.160 183 R HN 0.805 nan 8.270 nan 0.000 0.457 184 G N 0.941 109.820 108.800 0.130 0.000 2.425 184 G HA2 0.516 4.520 3.960 0.073 0.000 0.302 184 G HA3 0.516 4.520 3.960 0.073 0.000 0.302 184 G C -1.306 173.608 174.900 0.022 0.000 1.159 184 G CA -0.090 45.050 45.100 0.067 0.000 0.865 184 G HN 0.359 nan 8.290 nan 0.000 0.515 185 F N 1.718 121.538 119.950 -0.216 0.000 3.090 185 F HA 0.634 5.205 4.527 0.073 0.000 0.381 185 F C -0.203 175.299 175.800 -0.498 0.000 1.231 185 F CA -1.796 55.975 58.000 -0.381 0.000 1.177 185 F CB 0.916 39.795 39.000 -0.202 0.000 1.598 185 F HN 0.670 nan 8.300 nan 0.000 0.589 186 A N 3.130 125.675 122.820 -0.460 0.000 2.304 186 A HA 0.809 5.172 4.320 0.073 0.000 0.323 186 A C -0.558 176.601 177.584 -0.708 0.000 1.195 186 A CA -0.428 51.188 52.037 -0.702 0.000 0.826 186 A CB 0.832 19.010 19.000 -1.370 0.000 1.184 186 A HN 0.536 nan 8.150 nan 0.000 0.496 187 T N 2.282 116.558 114.554 -0.463 0.000 2.840 187 T HA 0.397 4.790 4.350 0.073 0.000 0.287 187 T C -0.409 174.052 174.700 -0.398 0.000 0.991 187 T CA -0.512 61.301 62.100 -0.477 0.000 0.964 187 T CB 1.067 69.586 68.868 -0.581 0.000 0.954 187 T HN 0.648 nan 8.240 nan 0.000 0.438 188 K N 3.521 123.766 120.400 -0.258 0.000 2.263 188 K HA 0.471 4.834 4.320 0.073 0.000 0.272 188 K C -1.325 174.897 176.600 -0.630 0.000 1.033 188 K CA -0.608 55.459 56.287 -0.368 0.000 0.884 188 K CB 0.421 32.684 32.500 -0.395 0.000 1.107 188 K HN 0.397 nan 8.250 nan 0.000 0.460 189 F N 4.275 123.913 119.950 -0.520 0.000 2.385 189 F HA 0.249 4.820 4.527 0.073 0.000 0.360 189 F C -0.474 175.103 175.800 -0.372 0.000 1.122 189 F CA -0.645 57.113 58.000 -0.403 0.000 1.090 189 F CB 0.761 39.434 39.000 -0.545 0.000 1.150 189 F HN 0.445 nan 8.300 nan 0.000 0.472 190 Y N 1.837 122.186 120.300 0.081 0.000 2.714 190 Y HA 0.225 4.818 4.550 0.072 0.000 0.333 190 Y C 1.024 176.978 175.900 0.090 0.000 1.220 190 Y CA -0.863 57.270 58.100 0.055 0.000 1.513 190 Y CB -0.219 38.264 38.460 0.038 0.000 1.435 190 Y HN 0.543 nan 8.280 nan 0.000 0.489 191 T N -2.538 112.112 114.554 0.160 0.000 2.847 191 T HA 0.189 4.583 4.350 0.073 0.000 0.279 191 T C 0.956 175.748 174.700 0.153 0.000 0.984 191 T CA -0.701 61.499 62.100 0.168 0.000 0.988 191 T CB 1.114 70.065 68.868 0.138 0.000 1.040 191 T HN 0.630 nan 8.240 nan 0.000 0.528 192 E N -0.131 120.163 120.200 0.157 0.000 2.427 192 E HA -0.006 4.388 4.350 0.073 0.000 0.196 192 E C 1.053 177.717 176.600 0.106 0.000 1.028 192 E CA 0.563 57.037 56.400 0.123 0.000 0.864 192 E CB 0.157 29.927 29.700 0.116 0.000 0.813 192 E HN 0.723 nan 8.360 nan 0.000 0.514 193 E N 0.118 120.384 120.200 0.109 0.000 2.624 193 E HA 0.243 4.637 4.350 0.073 0.000 0.210 193 E C 0.067 176.710 176.600 0.072 0.000 0.997 193 E CA -0.241 56.215 56.400 0.092 0.000 0.999 193 E CB 1.341 31.099 29.700 0.097 0.000 1.040 193 E HN 0.187 nan 8.360 nan 0.000 0.469 194 G N 1.093 109.931 108.800 0.063 0.000 2.392 194 G HA2 -0.102 3.902 3.960 0.073 0.000 0.677 194 G HA3 -0.102 3.902 3.960 0.073 0.000 0.677 194 G C -0.850 174.050 174.900 0.000 0.000 1.334 194 G CA -1.098 44.013 45.100 0.018 0.000 0.961 194 G HN 0.066 nan 8.290 nan 0.000 0.616 195 I N 0.678 121.206 120.570 -0.071 0.000 2.496 195 I HA 0.391 4.605 4.170 0.073 0.000 0.285 195 I C -0.049 176.054 176.117 -0.024 0.000 1.080 195 I CA -0.092 61.138 61.300 -0.117 0.000 1.404 195 I CB 0.894 38.744 38.000 -0.249 0.000 1.403 195 I HN 0.457 nan 8.210 nan 0.000 0.539 196 F N 6.930 126.772 119.950 -0.180 0.000 2.449 196 F HA 0.448 5.019 4.527 0.073 0.000 0.342 196 F C -0.804 174.970 175.800 -0.044 0.000 1.127 196 F CA -1.188 56.712 58.000 -0.166 0.000 0.975 196 F CB 0.839 39.612 39.000 -0.378 0.000 1.146 196 F HN 0.318 nan 8.300 nan 0.000 0.444 197 D N 6.825 127.061 120.400 -0.274 0.000 2.256 197 D HA 0.269 4.953 4.640 0.073 0.000 0.240 197 D C -0.716 175.180 176.300 -0.674 0.000 1.062 197 D CA -0.036 53.749 54.000 -0.359 0.000 0.832 197 D CB 2.517 43.308 40.800 -0.014 0.000 1.135 197 D HN 0.639 nan 8.370 nan 0.000 0.484 198 L N 3.217 124.018 121.223 -0.704 0.000 2.297 198 L HA 0.269 4.653 4.340 0.073 0.000 0.277 198 L C -0.953 175.742 176.870 -0.292 0.000 1.040 198 L CA -0.648 53.840 54.840 -0.586 0.000 0.867 198 L CB 0.759 42.485 42.059 -0.554 0.000 1.244 198 L HN 0.051 nan 8.230 nan 0.000 0.433 199 V N 5.076 124.873 119.914 -0.196 0.000 2.284 199 V HA 0.494 4.657 4.120 0.073 0.000 0.260 199 V C 0.822 176.878 176.094 -0.064 0.000 1.084 199 V CA -0.254 61.950 62.300 -0.160 0.000 0.894 199 V CB 0.504 32.226 31.823 -0.169 0.000 1.119 199 V HN 0.805 nan 8.190 nan 0.000 0.484 200 G N 3.490 112.251 108.800 -0.065 0.000 3.013 200 G HA2 0.666 4.670 3.960 0.073 0.000 0.278 200 G HA3 0.666 4.670 3.960 0.073 0.000 0.278 200 G C -0.948 173.987 174.900 0.057 0.000 1.353 200 G CA -0.645 44.456 45.100 0.001 0.000 1.043 200 G HN 0.482 nan 8.290 nan 0.000 0.523 201 N N -0.919 117.846 118.700 0.108 0.000 2.701 201 N HA 0.263 5.047 4.740 0.073 0.000 0.290 201 N C 0.306 175.967 175.510 0.252 0.000 1.338 201 N CA -0.775 52.375 53.050 0.167 0.000 0.799 201 N CB 1.343 39.911 38.487 0.134 0.000 1.491 201 N HN 0.528 nan 8.380 nan 0.000 0.540 202 N N -1.398 117.464 118.700 0.270 0.000 2.268 202 N HA 0.000 4.784 4.740 0.073 0.000 0.204 202 N C -0.585 175.165 175.510 0.401 0.000 1.124 202 N CA -0.094 53.162 53.050 0.343 0.000 0.838 202 N CB -0.150 38.521 38.487 0.306 0.000 0.994 202 N HN 0.538 nan 8.380 nan 0.000 0.489 203 T N -3.443 111.218 114.554 0.180 0.000 2.912 203 T HA 0.422 4.815 4.350 0.073 0.000 0.299 203 T C -2.537 171.689 174.700 -0.790 0.000 1.052 203 T CA -1.607 60.240 62.100 -0.421 0.000 0.996 203 T CB 3.064 71.555 68.868 -0.629 0.000 1.070 203 T HN -0.280 nan 8.240 nan 0.000 0.465 204 P HA 0.120 nan 4.420 nan 0.000 0.233 204 P C 0.681 177.457 177.300 -0.873 0.000 1.167 204 P CA 0.347 62.545 63.100 -1.504 0.000 0.770 204 P CB -0.060 30.685 31.700 -1.592 0.000 0.837 205 I N -4.830 115.206 120.570 -0.891 0.000 3.206 205 I HA 0.520 4.734 4.170 0.073 0.000 0.313 205 I C -0.960 174.886 176.117 -0.452 0.000 1.103 205 I CA -1.870 59.061 61.300 -0.616 0.000 0.985 205 I CB 1.446 39.041 38.000 -0.675 0.000 1.240 205 I HN -0.253 nan 8.210 nan 0.000 0.464 206 F N 0.594 120.272 119.950 -0.454 0.000 2.509 206 F HA 0.466 5.037 4.527 0.073 0.000 0.334 206 F C 0.525 176.098 175.800 -0.378 0.000 1.060 206 F CA -0.690 57.087 58.000 -0.371 0.000 0.997 206 F CB 1.766 40.662 39.000 -0.173 0.000 1.271 206 F HN 0.409 nan 8.300 nan 0.000 0.488 207 F N 2.044 121.227 119.950 -1.278 0.000 2.206 207 F HA 0.022 4.593 4.527 0.073 0.000 0.298 207 F C 0.728 176.238 175.800 -0.484 0.000 1.090 207 F CA 0.818 58.252 58.000 -0.943 0.000 1.323 207 F CB -0.040 37.998 39.000 -1.604 0.000 1.028 207 F HN 0.141 nan 8.300 nan 0.000 0.492 208 I N -3.072 117.463 120.570 -0.058 0.000 2.957 208 I HA 0.365 4.578 4.170 0.073 0.000 0.310 208 I C 0.385 176.664 176.117 0.270 0.000 1.063 208 I CA -0.811 60.589 61.300 0.166 0.000 1.033 208 I CB 1.838 39.987 38.000 0.249 0.000 1.230 208 I HN -0.100 nan 8.210 nan 0.000 0.447 209 Q N 0.397 120.349 119.800 0.253 0.000 2.304 209 Q HA 0.130 4.514 4.340 0.073 0.000 0.204 209 Q C -0.226 175.947 176.000 0.288 0.000 0.936 209 Q CA 0.581 56.568 55.803 0.306 0.000 0.878 209 Q CB 0.428 29.409 28.738 0.404 0.000 0.983 209 Q HN 0.674 nan 8.270 nan 0.000 0.516 210 D N -1.109 119.432 120.400 0.234 0.000 2.350 210 D HA 0.316 5.000 4.640 0.073 0.000 0.245 210 D C -0.026 176.396 176.300 0.205 0.000 1.036 210 D CA -0.218 53.890 54.000 0.179 0.000 0.848 210 D CB 1.872 42.750 40.800 0.131 0.000 1.307 210 D HN 0.061 nan 8.370 nan 0.000 0.469 211 A N 3.187 126.097 122.820 0.150 0.000 2.070 211 A HA -0.212 4.152 4.320 0.073 0.000 0.220 211 A C 1.794 179.483 177.584 0.175 0.000 1.159 211 A CA 1.559 53.676 52.037 0.133 0.000 0.656 211 A CB -0.750 18.270 19.000 0.033 0.000 0.800 211 A HN 0.816 nan 8.150 nan 0.000 0.453 212 H N 0.196 119.320 119.070 0.090 0.000 2.422 212 H HA -0.045 4.555 4.556 0.073 0.000 0.298 212 H C 1.593 176.992 175.328 0.119 0.000 1.098 212 H CA 1.995 58.088 56.048 0.076 0.000 1.315 212 H CB 0.082 29.868 29.762 0.040 0.000 1.382 212 H HN 0.385 nan 8.280 nan 0.000 0.523 213 K N -0.536 119.989 120.400 0.208 0.000 2.444 213 K HA -0.047 4.317 4.320 0.073 0.000 0.193 213 K C 1.489 178.219 176.600 0.217 0.000 1.024 213 K CA 0.045 56.458 56.287 0.211 0.000 1.077 213 K CB 0.022 32.706 32.500 0.306 0.000 0.833 213 K HN 0.289 nan 8.250 nan 0.000 0.517 214 F N 3.078 123.075 119.950 0.078 0.000 2.065 214 F HA -0.196 4.375 4.527 0.072 0.000 0.298 214 F C -0.973 174.831 175.800 0.006 0.000 1.112 214 F CA 1.663 59.724 58.000 0.101 0.000 1.212 214 F CB -0.550 38.484 39.000 0.057 0.000 0.975 214 F HN 0.036 nan 8.300 nan 0.000 0.476 215 P HA -0.135 nan 4.420 nan 0.000 0.217 215 P C 1.042 178.028 177.300 -0.523 0.000 1.150 215 P CA 1.754 64.600 63.100 -0.423 0.000 0.832 215 P CB -0.085 31.391 31.700 -0.374 0.000 0.787 216 D N -1.072 119.167 120.400 -0.268 0.000 2.078 216 D HA -0.171 4.513 4.640 0.073 0.000 0.193 216 D C 1.833 177.862 176.300 -0.450 0.000 0.990 216 D CA 1.115 55.006 54.000 -0.182 0.000 0.827 216 D CB -0.969 39.898 40.800 0.112 0.000 0.975 216 D HN 0.124 nan 8.370 nan 0.000 0.451 217 F N 1.835 121.391 119.950 -0.657 0.000 2.095 217 F HA -0.246 4.325 4.527 0.073 0.000 0.298 217 F C 2.313 177.739 175.800 -0.622 0.000 1.104 217 F CA 1.246 58.676 58.000 -0.951 0.000 1.232 217 F CB -0.233 38.442 39.000 -0.542 0.000 0.987 217 F HN -0.234 nan 8.300 nan 0.000 0.475 218 V N 0.176 119.706 119.914 -0.641 0.000 2.343 218 V HA -0.336 3.828 4.120 0.073 0.000 0.247 218 V C 2.270 178.161 176.094 -0.338 0.000 1.051 218 V CA 2.425 64.380 62.300 -0.575 0.000 1.036 218 V CB -1.050 30.422 31.823 -0.585 0.000 0.654 218 V HN 0.478 nan 8.190 nan 0.000 0.451 219 H N -0.200 118.652 119.070 -0.363 0.000 2.387 219 H HA -0.130 4.470 4.556 0.073 0.000 0.299 219 H C 2.343 177.527 175.328 -0.240 0.000 1.090 219 H CA 1.048 56.958 56.048 -0.232 0.000 1.332 219 H CB 0.017 29.692 29.762 -0.145 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.491 123.151 122.820 -0.266 0.000 1.902 220 A HA -0.127 4.237 4.320 0.073 0.000 0.217 220 A C 2.536 179.976 177.584 -0.241 0.000 1.181 220 A CA 1.469 53.346 52.037 -0.268 0.000 0.623 220 A CB -0.782 17.939 19.000 -0.464 0.000 0.818 220 A HN 0.302 nan 8.150 nan 0.000 0.443 221 V N -0.089 119.552 119.914 -0.455 0.000 2.488 221 V HA -0.034 4.130 4.120 0.073 0.000 0.246 221 V C 1.061 177.108 176.094 -0.079 0.000 1.046 221 V CA 0.985 63.070 62.300 -0.358 0.000 1.053 221 V CB -0.485 30.932 31.823 -0.678 0.000 0.679 221 V HN 0.372 nan 8.190 nan 0.000 0.458 222 K N 0.878 121.206 120.400 -0.121 0.000 2.188 222 K HA 0.148 4.512 4.320 0.073 0.000 0.246 222 K C -2.247 174.306 176.600 -0.079 0.000 1.026 222 K CA -1.317 54.918 56.287 -0.086 0.000 0.871 222 K CB -0.663 31.782 32.500 -0.093 0.000 1.042 222 K HN 0.200 nan 8.250 nan 0.000 0.509 223 P HA -0.002 nan 4.420 nan 0.000 0.264 223 P C -0.625 176.604 177.300 -0.119 0.000 1.193 223 P CA 0.352 63.313 63.100 -0.232 0.000 0.763 223 P CB 0.272 31.843 31.700 -0.214 0.000 0.810 224 E N 6.008 126.178 120.200 -0.051 0.000 2.442 224 E HA -0.054 4.340 4.350 0.073 0.000 0.262 224 E C -1.221 175.441 176.600 0.103 0.000 1.004 224 E CA -1.094 55.393 56.400 0.144 0.000 0.928 224 E CB 0.064 29.987 29.700 0.371 0.000 0.937 224 E HN 0.438 nan 8.360 nan 0.000 0.446 225 P HA -0.199 nan 4.420 nan 0.000 0.223 225 P C 0.945 178.311 177.300 0.110 0.000 1.151 225 P CA 1.362 64.496 63.100 0.057 0.000 0.787 225 P CB 0.047 31.758 31.700 0.019 0.000 0.788 226 H N -1.023 118.097 119.070 0.083 0.000 2.343 226 H HA -0.046 4.554 4.556 0.074 0.000 0.303 226 H C 1.491 176.931 175.328 0.188 0.000 1.068 226 H CA 1.269 57.351 56.048 0.056 0.000 1.359 226 H CB -1.239 28.483 29.762 -0.067 0.000 1.402 226 H HN 0.290 nan 8.280 nan 0.000 0.515 227 W N 0.072 120.993 121.300 -0.633 0.000 2.870 227 W HA 0.695 5.399 4.660 0.073 0.000 0.358 227 W C 0.473 176.828 176.519 -0.273 0.000 1.043 227 W CA -0.998 56.123 57.345 -0.374 0.000 1.692 227 W CB -0.712 28.506 29.460 -0.403 0.000 1.100 227 W HN 0.424 nan 8.180 nan 0.000 0.557 228 A N 1.260 124.032 122.820 -0.081 0.000 2.739 228 A HA -0.163 4.201 4.320 0.073 0.000 0.296 228 A C -0.385 176.948 177.584 -0.419 0.000 1.488 228 A CA 1.367 53.284 52.037 -0.201 0.000 0.746 228 A CB -2.404 16.514 19.000 -0.136 0.000 1.047 228 A HN 0.445 nan 8.150 nan 0.000 0.477 229 I N 0.407 120.554 120.570 -0.705 0.000 2.608 229 I HA 0.558 4.772 4.170 0.073 0.000 0.295 229 I C -2.373 173.391 176.117 -0.588 0.000 1.049 229 I CA -2.420 58.363 61.300 -0.863 0.000 1.063 229 I CB 2.823 39.775 38.000 -1.746 0.000 1.248 229 I HN 0.208 nan 8.210 nan 0.000 0.424 230 P HA 0.333 nan 4.420 nan 0.000 0.287 230 P C -1.604 175.527 177.300 -0.282 0.000 1.290 230 P CA -0.876 61.990 63.100 -0.390 0.000 0.889 230 P CB 1.404 32.959 31.700 -0.243 0.000 1.190 231 Q N 0.202 119.886 119.800 -0.194 0.000 2.256 231 Q HA 0.506 4.890 4.340 0.073 0.000 0.254 231 Q C 0.885 176.848 176.000 -0.062 0.000 0.916 231 Q CA 0.636 56.364 55.803 -0.126 0.000 0.932 231 Q CB -0.210 28.463 28.738 -0.107 0.000 1.207 231 Q HN 0.804 nan 8.270 nan 0.000 0.426 232 G N 3.356 112.131 108.800 -0.042 0.000 2.305 232 G HA2 -0.295 3.709 3.960 0.073 0.000 0.287 232 G HA3 -0.295 3.709 3.960 0.073 0.000 0.287 232 G C -0.488 174.431 174.900 0.032 0.000 1.036 232 G CA 0.676 45.778 45.100 0.003 0.000 0.887 232 G HN 0.547 nan 8.290 nan 0.000 0.505 233 Q N -1.214 118.594 119.800 0.012 0.000 2.309 233 Q HA 0.538 4.922 4.340 0.073 0.000 0.273 233 Q C 0.709 176.731 176.000 0.037 0.000 1.040 233 Q CA -0.144 55.695 55.803 0.061 0.000 0.834 233 Q CB 1.780 30.594 28.738 0.128 0.000 1.345 233 Q HN 0.462 nan 8.270 nan 0.000 0.414 234 S N -0.570 115.056 115.700 -0.125 0.000 2.556 234 S HA 0.210 4.723 4.470 0.073 0.000 0.216 234 S C 0.898 175.431 174.600 -0.113 0.000 0.970 234 S CA 0.001 57.889 58.200 -0.521 0.000 0.912 234 S CB 0.382 62.741 63.200 -1.403 0.000 0.790 234 S HN 0.594 nan 8.310 nan 0.000 0.504 235 A N 2.353 125.317 122.820 0.241 0.000 3.048 235 A HA 0.504 4.868 4.320 0.073 0.000 0.264 235 A C 0.130 177.959 177.584 0.407 0.000 1.796 235 A CA -0.528 51.743 52.037 0.391 0.000 1.445 235 A CB -1.294 17.864 19.000 0.264 0.000 1.074 235 A HN 0.895 nan 8.150 nan 0.000 0.621 236 H N -3.680 115.590 119.070 0.332 0.000 3.017 236 H HA 0.519 5.119 4.556 0.074 0.000 0.346 236 H C -0.122 175.403 175.328 0.328 0.000 1.286 236 H CA -0.735 55.469 56.048 0.260 0.000 1.120 236 H CB 0.258 30.134 29.762 0.190 0.000 1.860 236 H HN 0.071 nan 8.280 nan 0.000 0.542 237 D N 0.259 120.825 120.400 0.276 0.000 2.127 237 D HA -0.249 4.435 4.640 0.073 0.000 0.190 237 D C 2.187 178.551 176.300 0.108 0.000 1.000 237 D CA 3.438 57.540 54.000 0.169 0.000 0.839 237 D CB -0.497 40.386 40.800 0.138 0.000 0.955 237 D HN 0.801 nan 8.370 nan 0.000 0.446 238 T N -1.567 113.056 114.554 0.114 0.000 2.759 238 T HA -0.239 4.154 4.350 0.073 0.000 0.269 238 T C 1.923 176.585 174.700 -0.063 0.000 1.042 238 T CA 1.045 63.181 62.100 0.060 0.000 1.140 238 T CB -0.743 68.208 68.868 0.139 0.000 0.864 238 T HN 0.184 nan 8.240 nan 0.000 0.455 239 F N 0.708 120.389 119.950 -0.448 0.000 2.084 239 F HA 0.106 4.677 4.527 0.073 0.000 0.296 239 F C 1.924 177.475 175.800 -0.415 0.000 1.111 239 F CA 0.643 58.288 58.000 -0.591 0.000 1.224 239 F CB -0.669 37.776 39.000 -0.924 0.000 0.991 239 F HN 0.156 nan 8.300 nan 0.000 0.471 240 W N 0.726 121.923 121.300 -0.171 0.000 2.425 240 W HA -0.112 4.592 4.660 0.073 0.000 0.277 240 W C 2.311 178.731 176.519 -0.164 0.000 1.231 240 W CA 1.062 58.291 57.345 -0.194 0.000 1.248 240 W CB -0.617 28.828 29.460 -0.025 0.000 1.117 240 W HN 0.103 nan 8.180 nan 0.000 0.568 241 D N -0.566 119.871 120.400 0.061 0.000 2.078 241 D HA -0.302 4.382 4.640 0.073 0.000 0.193 241 D C 1.899 178.200 176.300 0.001 0.000 0.990 241 D CA 1.583 55.606 54.000 0.038 0.000 0.827 241 D CB -0.655 40.177 40.800 0.055 0.000 0.975 241 D HN 0.181 nan 8.370 nan 0.000 0.451 242 Y N 0.407 120.606 120.300 -0.168 0.000 2.114 242 Y HA -0.237 4.357 4.550 0.074 0.000 0.282 242 Y C 2.295 178.068 175.900 -0.212 0.000 1.165 242 Y CA 1.700 59.690 58.100 -0.184 0.000 1.148 242 Y CB -0.442 37.874 38.460 -0.240 0.000 0.972 242 Y HN -0.087 nan 8.280 nan 0.000 0.504 243 V N 0.032 119.826 119.914 -0.201 0.000 2.295 243 V HA -0.341 3.823 4.120 0.073 0.000 0.246 243 V C 2.621 178.654 176.094 -0.101 0.000 1.049 243 V CA 2.207 64.378 62.300 -0.216 0.000 1.024 243 V CB -1.219 30.352 31.823 -0.420 0.000 0.648 243 V HN 0.671 nan 8.190 nan 0.000 0.447 244 S N -0.144 115.540 115.700 -0.026 0.000 2.419 244 S HA -0.127 4.386 4.470 0.073 0.000 0.235 244 S C 1.741 176.304 174.600 -0.063 0.000 1.019 244 S CA 1.626 59.831 58.200 0.007 0.000 0.982 244 S CB -0.491 62.741 63.200 0.053 0.000 0.789 244 S HN 0.559 nan 8.310 nan 0.000 0.490 245 L N -0.115 121.025 121.223 -0.138 0.000 2.585 245 L HA 0.309 4.692 4.340 0.073 0.000 0.226 245 L C 0.473 177.174 176.870 -0.283 0.000 1.113 245 L CA 0.136 54.870 54.840 -0.178 0.000 0.876 245 L CB 0.039 41.992 42.059 -0.178 0.000 1.072 245 L HN 0.269 nan 8.230 nan 0.000 0.468 246 Q N 0.406 119.991 119.800 -0.357 0.000 2.771 246 Q HA 0.234 4.618 4.340 0.073 0.000 0.247 246 Q C -1.931 173.851 176.000 -0.364 0.000 0.986 246 Q CA -1.518 54.034 55.803 -0.418 0.000 0.713 246 Q CB 1.673 30.056 28.738 -0.591 0.000 1.241 246 Q HN -0.022 nan 8.270 nan 0.000 0.488 247 P HA -0.232 nan 4.420 nan 0.000 0.221 247 P C 1.030 178.021 177.300 -0.514 0.000 1.145 247 P CA 1.195 64.013 63.100 -0.471 0.000 0.795 247 P CB 0.282 31.624 31.700 -0.596 0.000 0.775 248 E N 0.761 120.545 120.200 -0.694 0.000 2.171 248 E HA -0.213 4.181 4.350 0.073 0.000 0.197 248 E C 1.576 178.150 176.600 -0.044 0.000 0.997 248 E CA 2.040 58.312 56.400 -0.213 0.000 0.810 248 E CB -1.451 28.200 29.700 -0.081 0.000 0.738 248 E HN 0.298 nan 8.360 nan 0.000 0.467 249 T N -0.539 113.992 114.554 -0.039 0.000 3.035 249 T HA -0.006 4.388 4.350 0.073 0.000 0.268 249 T C 1.967 176.755 174.700 0.147 0.000 1.109 249 T CA 0.612 62.762 62.100 0.084 0.000 1.119 249 T CB -0.380 68.569 68.868 0.135 0.000 0.900 249 T HN 0.168 nan 8.240 nan 0.000 0.503 250 L N 0.106 121.406 121.223 0.129 0.000 2.079 250 L HA -0.134 4.249 4.340 0.073 0.000 0.210 250 L C 2.857 179.904 176.870 0.295 0.000 1.081 250 L CA 2.014 57.000 54.840 0.243 0.000 0.752 250 L CB -0.847 41.356 42.059 0.240 0.000 0.896 250 L HN 0.490 nan 8.230 nan 0.000 0.433 251 H N 0.098 119.226 119.070 0.095 0.000 2.293 251 H HA -0.211 4.389 4.556 0.073 0.000 0.300 251 H C 2.182 177.522 175.328 0.020 0.000 1.082 251 H CA 1.884 57.988 56.048 0.094 0.000 1.308 251 H CB 0.178 29.962 29.762 0.037 0.000 1.375 251 H HN 0.369 nan 8.280 nan 0.000 0.495 252 N N -0.191 118.332 118.700 -0.294 0.000 2.244 252 N HA -0.131 4.653 4.740 0.073 0.000 0.183 252 N C 1.960 177.296 175.510 -0.289 0.000 1.016 252 N CA 0.733 53.381 53.050 -0.670 0.000 0.866 252 N CB 0.264 37.822 38.487 -1.548 0.000 0.980 252 N HN 0.121 nan 8.380 nan 0.000 0.430 253 V N 1.607 121.590 119.914 0.115 0.000 2.343 253 V HA -0.260 3.904 4.120 0.073 0.000 0.247 253 V C 2.479 178.727 176.094 0.256 0.000 1.051 253 V CA 1.267 63.785 62.300 0.364 0.000 1.036 253 V CB -0.364 31.729 31.823 0.451 0.000 0.654 253 V HN 0.398 nan 8.190 nan 0.000 0.451 254 M N -1.527 118.263 119.600 0.316 0.000 2.082 254 M HA -0.232 4.292 4.480 0.073 0.000 0.258 254 M C 2.047 178.379 176.300 0.052 0.000 1.069 254 M CA 1.929 57.421 55.300 0.322 0.000 1.102 254 M CB -1.353 31.479 32.600 0.386 0.000 1.336 254 M HN 0.477 nan 8.290 nan 0.000 0.404 255 W N 0.323 121.386 121.300 -0.395 0.000 2.358 255 W HA -0.090 4.614 4.660 0.073 0.000 0.303 255 W C 2.790 179.243 176.519 -0.110 0.000 1.208 255 W CA 1.887 58.964 57.345 -0.446 0.000 1.274 255 W CB -1.034 28.073 29.460 -0.589 0.000 1.138 255 W HN 0.307 nan 8.180 nan 0.000 0.515 256 A N -0.524 122.386 122.820 0.150 0.000 1.908 256 A HA -0.216 4.148 4.320 0.073 0.000 0.218 256 A C 1.936 179.577 177.584 0.096 0.000 1.181 256 A CA 1.927 54.056 52.037 0.153 0.000 0.627 256 A CB -0.641 18.495 19.000 0.227 0.000 0.818 256 A HN 0.116 nan 8.150 nan 0.000 0.445 257 M N 0.646 120.258 119.600 0.021 0.000 2.492 257 M HA 0.022 4.546 4.480 0.073 0.000 0.262 257 M C 1.432 177.779 176.300 0.078 0.000 1.090 257 M CA 0.773 56.026 55.300 -0.078 0.000 1.110 257 M CB -1.414 30.886 32.600 -0.501 0.000 1.407 257 M HN 0.557 nan 8.290 nan 0.000 0.470 258 S N 0.101 115.905 115.700 0.173 0.000 2.641 258 S HA 0.114 4.627 4.470 0.073 0.000 0.261 258 S C 0.745 175.479 174.600 0.224 0.000 1.257 258 S CA -0.505 57.839 58.200 0.239 0.000 0.983 258 S CB 0.941 64.322 63.200 0.302 0.000 0.990 258 S HN 0.180 nan 8.310 nan 0.000 0.572 259 D N 0.225 120.778 120.400 0.255 0.000 2.378 259 D HA -0.001 4.683 4.640 0.073 0.000 0.222 259 D C 1.845 178.293 176.300 0.246 0.000 0.980 259 D CA 0.394 54.562 54.000 0.279 0.000 0.907 259 D CB -0.165 40.866 40.800 0.384 0.000 0.899 259 D HN 0.382 nan 8.370 nan 0.000 0.527 260 R N 0.216 120.854 120.500 0.231 0.000 2.152 260 R HA -0.049 4.335 4.340 0.073 0.000 0.232 260 R C 2.120 178.575 176.300 0.258 0.000 1.117 260 R CA 0.970 57.229 56.100 0.265 0.000 0.981 260 R CB -0.819 29.700 30.300 0.365 0.000 0.870 260 R HN 0.193 nan 8.270 nan 0.000 0.451 261 G N 1.380 110.320 108.800 0.234 0.000 2.559 261 G HA2 -0.063 3.941 3.960 0.073 0.000 0.216 261 G HA3 -0.063 3.941 3.960 0.073 0.000 0.216 261 G C 1.025 176.069 174.900 0.240 0.000 1.126 261 G CA 0.204 45.435 45.100 0.220 0.000 0.778 261 G HN 0.416 nan 8.290 nan 0.000 0.543 262 I N -1.888 118.833 120.570 0.252 0.000 2.926 262 I HA 0.348 4.561 4.170 0.073 0.000 0.295 262 I C -2.851 173.421 176.117 0.258 0.000 1.463 262 I CA -2.622 58.834 61.300 0.258 0.000 0.892 262 I CB 1.717 39.870 38.000 0.256 0.000 1.874 262 I HN -0.262 nan 8.210 nan 0.000 0.620 263 P HA 0.050 nan 4.420 nan 0.000 0.269 263 P C 0.682 178.104 177.300 0.204 0.000 1.209 263 P CA -0.087 63.115 63.100 0.170 0.000 0.776 263 P CB 1.208 32.943 31.700 0.059 0.000 0.876 264 R N 2.635 123.245 120.500 0.184 0.000 2.091 264 R HA -0.079 4.305 4.340 0.073 0.000 0.238 264 R C 0.587 177.004 176.300 0.194 0.000 1.136 264 R CA 2.057 58.306 56.100 0.248 0.000 0.959 264 R CB -0.453 29.968 30.300 0.201 0.000 0.856 264 R HN 0.664 nan 8.270 nan 0.000 0.437 265 S N -3.598 112.012 115.700 -0.149 0.000 2.611 265 S HA 0.198 4.711 4.470 0.073 0.000 0.268 265 S C -0.039 174.231 174.600 -0.550 0.000 1.156 265 S CA -0.802 57.106 58.200 -0.487 0.000 0.817 265 S CB -0.057 63.019 63.200 -0.206 0.000 1.122 265 S HN 0.075 nan 8.310 nan 0.000 0.466 266 Y N 1.030 120.963 120.300 -0.612 0.000 2.421 266 Y HA 0.140 4.733 4.550 0.072 0.000 0.292 266 Y C 2.561 178.121 175.900 -0.567 0.000 1.136 266 Y CA 1.034 58.669 58.100 -0.774 0.000 1.255 266 Y CB -0.537 37.112 38.460 -1.350 0.000 0.991 266 Y HN 0.597 nan 8.280 nan 0.000 0.552 267 R N -0.483 119.879 120.500 -0.230 0.000 2.148 267 R HA -0.069 4.315 4.340 0.073 0.000 0.227 267 R C 1.216 177.470 176.300 -0.076 0.000 1.103 267 R CA 1.586 57.600 56.100 -0.142 0.000 0.983 267 R CB -0.335 29.877 30.300 -0.147 0.000 0.874 267 R HN 0.317 nan 8.270 nan 0.000 0.451 268 T N -1.723 112.799 114.554 -0.052 0.000 3.268 268 T HA 0.357 4.750 4.350 0.073 0.000 0.258 268 T C 0.142 174.879 174.700 0.061 0.000 0.966 268 T CA -0.661 61.441 62.100 0.003 0.000 0.952 268 T CB -0.183 68.674 68.868 -0.018 0.000 1.132 268 T HN 0.070 nan 8.240 nan 0.000 0.536 269 M N -1.124 118.550 119.600 0.123 0.000 2.518 269 M HA 0.721 5.245 4.480 0.073 0.000 0.300 269 M C -1.048 175.414 176.300 0.269 0.000 1.175 269 M CA -0.857 54.551 55.300 0.180 0.000 0.890 269 M CB 2.236 34.931 32.600 0.159 0.000 1.710 269 M HN -0.122 nan 8.290 nan 0.000 0.453 270 E N 0.718 121.071 120.200 0.255 0.000 2.351 270 E HA 0.690 5.084 4.350 0.073 0.000 0.255 270 E C -0.185 176.473 176.600 0.097 0.000 1.188 270 E CA -0.558 55.932 56.400 0.151 0.000 0.940 270 E CB 1.367 31.073 29.700 0.010 0.000 1.094 270 E HN 0.872 nan 8.360 nan 0.000 0.474 271 G N 0.358 109.037 108.800 -0.203 0.000 2.620 271 G HA2 0.612 4.616 3.960 0.073 0.000 0.301 271 G HA3 0.612 4.616 3.960 0.073 0.000 0.301 271 G C -1.605 172.893 174.900 -0.670 0.000 1.347 271 G CA -0.502 44.499 45.100 -0.165 0.000 0.971 271 G HN 0.259 nan 8.290 nan 0.000 0.488 272 F N -0.223 119.686 119.950 -0.069 0.000 2.608 272 F HA 0.512 5.082 4.527 0.073 0.000 0.309 272 F C 1.074 176.796 175.800 -0.129 0.000 1.103 272 F CA -0.438 57.439 58.000 -0.204 0.000 0.954 272 F CB 2.566 41.389 39.000 -0.294 0.000 1.267 272 F HN 0.620 nan 8.300 nan 0.000 0.444 273 G N 1.036 109.908 108.800 0.120 0.000 2.650 273 G HA2 0.097 4.101 3.960 0.073 0.000 0.214 273 G HA3 0.097 4.101 3.960 0.073 0.000 0.214 273 G C 1.263 176.236 174.900 0.122 0.000 1.136 273 G CA 0.858 46.085 45.100 0.212 0.000 0.789 273 G HN 0.802 nan 8.290 nan 0.000 0.536 274 I N -1.056 119.507 120.570 -0.013 0.000 4.497 274 I HA -0.334 3.880 4.170 0.073 0.000 0.059 274 I C 0.659 176.637 176.117 -0.231 0.000 0.607 274 I CA 1.619 62.783 61.300 -0.227 0.000 0.958 274 I CB -1.218 36.549 38.000 -0.387 0.000 0.864 274 I HN 0.275 nan 8.210 nan 0.000 0.166 275 H N 2.001 121.092 119.070 0.034 0.000 2.679 275 H HA 0.241 4.840 4.556 0.073 0.000 0.369 275 H C 0.138 175.412 175.328 -0.090 0.000 1.178 275 H CA 0.484 56.462 56.048 -0.118 0.000 1.419 275 H CB 0.324 29.863 29.762 -0.372 0.000 1.458 275 H HN 0.162 nan 8.280 nan 0.000 0.605 276 T N 3.557 118.087 114.554 -0.041 0.000 2.761 276 T HA 0.232 4.625 4.350 0.073 0.000 0.296 276 T C 0.274 174.920 174.700 -0.090 0.000 0.934 276 T CA -0.021 62.043 62.100 -0.060 0.000 1.091 276 T CB -0.205 68.565 68.868 -0.163 0.000 0.896 276 T HN 0.236 nan 8.240 nan 0.000 0.515 277 F N 1.485 121.418 119.950 -0.027 0.000 2.561 277 F HA 0.661 5.232 4.527 0.072 0.000 0.384 277 F C 1.120 176.893 175.800 -0.044 0.000 1.131 277 F CA -1.299 56.710 58.000 0.014 0.000 1.133 277 F CB 1.223 40.230 39.000 0.011 0.000 1.506 277 F HN 0.160 nan 8.300 nan 0.000 0.499 278 R N 0.562 121.138 120.500 0.128 0.000 2.686 278 R HA 0.596 4.980 4.340 0.073 0.000 0.283 278 R C -1.688 174.498 176.300 -0.191 0.000 0.978 278 R CA -0.858 55.178 56.100 -0.106 0.000 0.897 278 R CB 2.098 32.281 30.300 -0.194 0.000 1.192 278 R HN 0.431 nan 8.270 nan 0.000 0.457 279 L N 3.842 124.897 121.223 -0.279 0.000 2.309 279 L HA 0.534 4.918 4.340 0.073 0.000 0.282 279 L C -0.484 176.226 176.870 -0.266 0.000 1.036 279 L CA -0.854 53.824 54.840 -0.271 0.000 0.806 279 L CB 1.355 43.247 42.059 -0.279 0.000 1.220 279 L HN 0.390 nan 8.230 nan 0.000 0.429 280 I N 3.130 123.568 120.570 -0.220 0.000 2.447 280 I HA 0.252 4.466 4.170 0.073 0.000 0.287 280 I C -0.289 175.741 176.117 -0.146 0.000 1.023 280 I CA -0.707 60.468 61.300 -0.207 0.000 1.083 280 I CB 1.483 39.369 38.000 -0.190 0.000 1.245 280 I HN 0.613 nan 8.210 nan 0.000 0.434 281 N N 4.953 123.579 118.700 -0.124 0.000 2.448 281 N HA 0.381 5.164 4.740 0.073 0.000 0.274 281 N C 0.885 176.353 175.510 -0.069 0.000 1.239 281 N CA -0.388 52.610 53.050 -0.088 0.000 0.982 281 N CB 0.572 39.015 38.487 -0.073 0.000 1.199 281 N HN 0.516 nan 8.380 nan 0.000 0.576 282 A N -0.707 122.082 122.820 -0.052 0.000 2.019 282 A HA -0.108 4.255 4.320 0.073 0.000 0.219 282 A C 1.416 178.979 177.584 -0.034 0.000 1.164 282 A CA 1.250 53.263 52.037 -0.040 0.000 0.644 282 A CB -0.668 18.314 19.000 -0.030 0.000 0.805 282 A HN 0.677 nan 8.150 nan 0.000 0.449 283 E N -1.277 118.904 120.200 -0.033 0.000 2.502 283 E HA 0.256 4.650 4.350 0.073 0.000 0.194 283 E C 1.256 177.844 176.600 -0.020 0.000 1.062 283 E CA 0.627 57.013 56.400 -0.025 0.000 0.867 283 E CB -0.265 29.421 29.700 -0.023 0.000 0.888 283 E HN 0.754 nan 8.360 nan 0.000 0.510 284 G N 1.196 109.980 108.800 -0.025 0.000 2.157 284 G HA2 -0.340 3.663 3.960 0.073 0.000 0.239 284 G HA3 -0.340 3.663 3.960 0.073 0.000 0.239 284 G C 0.309 175.220 174.900 0.018 0.000 0.982 284 G CA 0.296 45.398 45.100 0.002 0.000 0.650 284 G HN 0.305 nan 8.290 nan 0.000 0.527 285 K N 0.722 121.095 120.400 -0.045 0.000 2.276 285 K HA 0.692 5.055 4.320 0.073 0.000 0.283 285 K C 0.524 176.988 176.600 -0.227 0.000 1.044 285 K CA 0.143 56.376 56.287 -0.089 0.000 0.944 285 K CB 0.736 33.190 32.500 -0.077 0.000 1.012 285 K HN 0.639 nan 8.250 nan 0.000 0.472 286 A N 3.500 126.082 122.820 -0.397 0.000 2.301 286 A HA 0.434 4.798 4.320 0.073 0.000 0.312 286 A C -0.780 176.487 177.584 -0.527 0.000 1.182 286 A CA -0.536 51.104 52.037 -0.663 0.000 0.826 286 A CB 1.070 19.252 19.000 -1.362 0.000 1.134 286 A HN 0.755 nan 8.150 nan 0.000 0.501 287 T N 2.234 116.509 114.554 -0.465 0.000 2.861 287 T HA 0.527 4.920 4.350 0.073 0.000 0.287 287 T C -0.697 173.776 174.700 -0.378 0.000 1.003 287 T CA -0.142 61.733 62.100 -0.374 0.000 0.977 287 T CB 0.527 69.266 68.868 -0.215 0.000 0.996 287 T HN 0.333 nan 8.240 nan 0.000 0.448 288 F N 2.207 122.056 119.950 -0.168 0.000 2.484 288 F HA 0.502 5.073 4.527 0.073 0.000 0.360 288 F C 0.547 176.222 175.800 -0.209 0.000 1.101 288 F CA -0.463 57.435 58.000 -0.169 0.000 1.251 288 F CB 0.697 39.620 39.000 -0.128 0.000 1.132 288 F HN 0.197 nan 8.300 nan 0.000 0.570 289 V N 5.204 125.071 119.914 -0.080 0.000 2.841 289 V HA 0.613 4.777 4.120 0.073 0.000 0.310 289 V C -0.972 174.906 176.094 -0.360 0.000 1.090 289 V CA -0.800 61.305 62.300 -0.326 0.000 0.930 289 V CB 2.116 33.492 31.823 -0.744 0.000 1.014 289 V HN 0.762 nan 8.190 nan 0.000 0.425 290 R N 4.818 125.164 120.500 -0.257 0.000 2.437 290 R HA 0.529 4.912 4.340 0.073 0.000 0.310 290 R C -1.600 174.669 176.300 -0.051 0.000 0.955 290 R CA -0.435 55.584 56.100 -0.135 0.000 0.851 290 R CB 1.864 32.183 30.300 0.033 0.000 1.161 290 R HN 0.619 nan 8.270 nan 0.000 0.446 291 F N 2.676 122.693 119.950 0.112 0.000 2.396 291 F HA 0.311 4.882 4.527 0.073 0.000 0.343 291 F C 1.011 176.768 175.800 -0.072 0.000 1.104 291 F CA 0.060 58.089 58.000 0.049 0.000 1.161 291 F CB 0.775 39.697 39.000 -0.129 0.000 1.146 291 F HN 0.220 nan 8.300 nan 0.000 0.522 292 H N 1.398 120.489 119.070 0.036 0.000 2.768 292 H HA 0.238 4.838 4.556 0.073 0.000 0.371 292 H C -1.510 173.616 175.328 -0.337 0.000 1.151 292 H CA -1.006 54.967 56.048 -0.125 0.000 1.165 292 H CB 1.905 31.687 29.762 0.033 0.000 1.722 292 H HN 0.682 nan 8.280 nan 0.000 0.543 293 W N 2.548 123.764 121.300 -0.140 0.000 2.471 293 W HA 0.307 5.010 4.660 0.073 0.000 0.318 293 W C -0.101 176.461 176.519 0.070 0.000 1.034 293 W CA -0.763 56.532 57.345 -0.083 0.000 1.224 293 W CB 1.686 30.895 29.460 -0.419 0.000 1.335 293 W HN 0.298 nan 8.180 nan 0.000 0.452 294 K N 5.938 126.620 120.400 0.470 0.000 2.235 294 K HA 0.399 4.763 4.320 0.073 0.000 0.266 294 K C -2.417 174.422 176.600 0.398 0.000 0.980 294 K CA -1.931 54.568 56.287 0.352 0.000 0.849 294 K CB 1.490 34.145 32.500 0.258 0.000 1.098 294 K HN 0.034 nan 8.250 nan 0.000 0.445 295 P HA 0.062 nan 4.420 nan 0.000 0.276 295 P C 0.166 177.489 177.300 0.039 0.000 1.264 295 P CA -0.092 63.097 63.100 0.149 0.000 0.769 295 P CB 0.759 32.558 31.700 0.164 0.000 0.840 296 L N 2.747 123.938 121.223 -0.053 0.000 2.465 296 L HA -0.027 4.357 4.340 0.073 0.000 0.224 296 L C 2.181 179.034 176.870 -0.029 0.000 1.145 296 L CA 0.935 55.770 54.840 -0.008 0.000 0.834 296 L CB -0.524 41.539 42.059 0.006 0.000 0.944 296 L HN 0.334 nan 8.230 nan 0.000 0.451 297 A N -0.069 122.706 122.820 -0.076 0.000 2.251 297 A HA 0.455 4.818 4.320 0.073 0.000 0.209 297 A C 1.243 178.822 177.584 -0.008 0.000 1.187 297 A CA 0.592 52.600 52.037 -0.049 0.000 0.823 297 A CB -0.338 18.613 19.000 -0.082 0.000 0.846 297 A HN 0.422 nan 8.150 nan 0.000 0.486 298 G N -0.501 108.310 108.800 0.019 0.000 2.756 298 G HA2 -0.133 3.871 3.960 0.073 0.000 0.678 298 G HA3 -0.133 3.871 3.960 0.073 0.000 0.678 298 G C -0.651 174.280 174.900 0.053 0.000 1.349 298 G CA -0.471 44.661 45.100 0.053 0.000 0.847 298 G HN 0.447 nan 8.290 nan 0.000 0.548 299 K N 0.216 120.657 120.400 0.067 0.000 2.201 299 K HA 0.689 5.053 4.320 0.073 0.000 0.278 299 K C 0.207 176.820 176.600 0.021 0.000 1.027 299 K CA 0.277 56.591 56.287 0.046 0.000 0.909 299 K CB 1.661 34.179 32.500 0.031 0.000 1.062 299 K HN 1.476 nan 8.250 nan 0.000 0.465 300 A N 1.894 124.715 122.820 0.000 0.000 2.513 300 A HA 0.539 4.903 4.320 0.073 0.000 0.296 300 A C -1.110 176.544 177.584 0.117 0.000 1.052 300 A CA -0.680 51.326 52.037 -0.052 0.000 0.714 300 A CB 1.644 20.393 19.000 -0.418 0.000 1.279 300 A HN 0.511 nan 8.150 nan 0.000 0.397 301 S N 0.656 116.590 115.700 0.391 0.000 2.634 301 S HA 0.780 5.294 4.470 0.073 0.000 0.296 301 S C 0.034 174.952 174.600 0.529 0.000 1.104 301 S CA -0.604 57.844 58.200 0.413 0.000 0.920 301 S CB 1.188 64.615 63.200 0.378 0.000 1.111 301 S HN 0.645 nan 8.310 nan 0.000 0.493 302 L N 1.167 122.587 121.223 0.329 0.000 2.600 302 L HA 0.566 4.949 4.340 0.073 0.000 0.221 302 L C -0.074 176.900 176.870 0.174 0.000 1.197 302 L CA -0.812 54.141 54.840 0.189 0.000 0.838 302 L CB 0.145 42.226 42.059 0.036 0.000 1.474 302 L HN 0.474 nan 8.230 nan 0.000 0.514 303 V N -3.255 116.657 119.914 -0.003 0.000 2.667 303 V HA 0.168 4.331 4.120 0.073 0.000 0.308 303 V C 0.716 176.750 176.094 -0.100 0.000 1.048 303 V CA -0.844 61.422 62.300 -0.057 0.000 0.928 303 V CB 1.529 33.287 31.823 -0.109 0.000 1.004 303 V HN 0.930 nan 8.190 nan 0.000 0.444 304 W N 2.374 123.545 121.300 -0.215 0.000 2.290 304 W HA -0.300 4.403 4.660 0.072 0.000 0.328 304 W C 1.790 178.154 176.519 -0.258 0.000 1.272 304 W CA 2.761 59.975 57.345 -0.219 0.000 1.262 304 W CB -0.153 29.168 29.460 -0.231 0.000 1.151 304 W HN 0.998 nan 8.180 nan 0.000 0.473 305 D N 0.052 120.123 120.400 -0.549 0.000 2.133 305 D HA -0.296 4.388 4.640 0.073 0.000 0.195 305 D C 2.163 178.072 176.300 -0.653 0.000 0.997 305 D CA 2.281 55.941 54.000 -0.566 0.000 0.840 305 D CB -0.555 40.191 40.800 -0.089 0.000 0.947 305 D HN 0.408 nan 8.370 nan 0.000 0.452 306 E N -0.449 119.222 120.200 -0.882 0.000 2.051 306 E HA -0.203 4.191 4.350 0.073 0.000 0.192 306 E C 2.027 178.269 176.600 -0.597 0.000 0.991 306 E CA 1.029 56.869 56.400 -0.933 0.000 0.799 306 E CB -0.216 28.885 29.700 -0.999 0.000 0.748 306 E HN 0.299 nan 8.360 nan 0.000 0.449 307 A N 1.300 123.795 122.820 -0.542 0.000 1.851 307 A HA -0.298 4.065 4.320 0.073 0.000 0.216 307 A C 2.210 179.461 177.584 -0.555 0.000 1.195 307 A CA 2.008 53.773 52.037 -0.453 0.000 0.622 307 A CB -0.909 17.925 19.000 -0.276 0.000 0.831 307 A HN 0.456 nan 8.150 nan 0.000 0.444 308 Q N -0.376 118.890 119.800 -0.889 0.000 2.096 308 Q HA -0.223 4.161 4.340 0.073 0.000 0.204 308 Q C 2.058 177.788 176.000 -0.451 0.000 0.982 308 Q CA 1.970 57.301 55.803 -0.787 0.000 0.850 308 Q CB -0.135 27.884 28.738 -1.199 0.000 0.901 308 Q HN 0.711 nan 8.270 nan 0.000 0.422 309 K N 0.064 120.218 120.400 -0.410 0.000 2.057 309 K HA -0.167 4.196 4.320 0.073 0.000 0.207 309 K C 2.075 178.533 176.600 -0.237 0.000 1.049 309 K CA 1.005 57.142 56.287 -0.251 0.000 0.931 309 K CB -0.186 32.210 32.500 -0.173 0.000 0.714 309 K HN 0.153 nan 8.250 nan 0.000 0.440 310 L N 1.690 122.727 121.223 -0.311 0.000 2.131 310 L HA -0.152 4.232 4.340 0.073 0.000 0.210 310 L C 2.311 179.034 176.870 -0.246 0.000 1.092 310 L CA 1.955 56.603 54.840 -0.320 0.000 0.759 310 L CB -0.921 40.849 42.059 -0.482 0.000 0.903 310 L HN 0.334 nan 8.230 nan 0.000 0.435 311 T N -4.483 109.934 114.554 -0.229 0.000 2.929 311 T HA -0.059 4.335 4.350 0.073 0.000 0.271 311 T C 1.810 176.443 174.700 -0.113 0.000 1.085 311 T CA 0.947 62.955 62.100 -0.153 0.000 1.125 311 T CB -0.878 67.914 68.868 -0.127 0.000 0.874 311 T HN 0.387 nan 8.240 nan 0.000 0.494 312 G N 1.298 110.026 108.800 -0.120 0.000 2.447 312 G HA2 0.013 4.017 3.960 0.073 0.000 0.211 312 G HA3 0.013 4.017 3.960 0.073 0.000 0.211 312 G C 1.895 176.749 174.900 -0.076 0.000 1.184 312 G CA -0.284 44.764 45.100 -0.088 0.000 0.813 312 G HN 0.311 nan 8.290 nan 0.000 0.540 313 R N 0.411 120.856 120.500 -0.092 0.000 2.090 313 R HA 0.032 4.416 4.340 0.073 0.000 0.228 313 R C -0.100 176.171 176.300 -0.047 0.000 1.110 313 R CA 0.966 57.026 56.100 -0.067 0.000 0.973 313 R CB -0.304 29.951 30.300 -0.076 0.000 0.869 313 R HN 0.372 nan 8.270 nan 0.000 0.440 314 D N -0.287 120.078 120.400 -0.058 0.000 2.411 314 D HA 0.141 4.824 4.640 0.073 0.000 0.239 314 D C -2.055 174.242 176.300 -0.005 0.000 1.307 314 D CA -1.828 52.173 54.000 0.001 0.000 0.930 314 D CB 1.286 42.141 40.800 0.091 0.000 1.395 314 D HN -0.153 nan 8.370 nan 0.000 0.536 315 P HA -0.050 nan 4.420 nan 0.000 0.223 315 P C 0.084 177.383 177.300 -0.001 0.000 1.144 315 P CA 0.787 63.870 63.100 -0.029 0.000 0.783 315 P CB 0.507 32.188 31.700 -0.031 0.000 0.771 316 D N -1.640 118.773 120.400 0.022 0.000 2.388 316 D HA 0.074 4.757 4.640 0.073 0.000 0.221 316 D C 1.248 177.587 176.300 0.065 0.000 1.133 316 D CA -0.424 53.596 54.000 0.032 0.000 0.831 316 D CB -0.571 40.226 40.800 -0.004 0.000 0.962 316 D HN 0.110 nan 8.370 nan 0.000 0.502 317 F N 1.328 121.221 119.950 -0.095 0.000 2.126 317 F HA -0.233 4.338 4.527 0.072 0.000 0.299 317 F C 2.069 177.844 175.800 -0.042 0.000 1.096 317 F CA 1.882 59.826 58.000 -0.094 0.000 1.255 317 F CB 0.028 38.927 39.000 -0.169 0.000 0.997 317 F HN 0.114 nan 8.300 nan 0.000 0.479 318 H N -1.227 117.810 119.070 -0.054 0.000 2.389 318 H HA -0.094 4.506 4.556 0.073 0.000 0.299 318 H C 2.397 177.635 175.328 -0.150 0.000 1.081 318 H CA 0.926 56.787 56.048 -0.313 0.000 1.345 318 H CB -0.116 29.252 29.762 -0.657 0.000 1.393 318 H HN 0.183 nan 8.280 nan 0.000 0.520 319 R N 1.194 121.788 120.500 0.156 0.000 2.073 319 R HA -0.130 4.253 4.340 0.073 0.000 0.234 319 R C 2.466 178.877 176.300 0.185 0.000 1.134 319 R CA 1.306 57.550 56.100 0.241 0.000 0.952 319 R CB -0.028 30.396 30.300 0.207 0.000 0.850 319 R HN 0.192 nan 8.270 nan 0.000 0.433 320 R N 0.355 120.890 120.500 0.057 0.000 2.073 320 R HA -0.156 4.227 4.340 0.073 0.000 0.234 320 R C 2.178 178.471 176.300 -0.011 0.000 1.134 320 R CA 1.705 57.814 56.100 0.016 0.000 0.952 320 R CB -0.256 30.005 30.300 -0.064 0.000 0.850 320 R HN 0.253 nan 8.270 nan 0.000 0.433 321 E N 0.736 120.824 120.200 -0.188 0.000 2.058 321 E HA -0.220 4.174 4.350 0.073 0.000 0.194 321 E C 2.014 178.582 176.600 -0.054 0.000 0.997 321 E CA 1.313 57.574 56.400 -0.231 0.000 0.801 321 E CB -0.152 29.262 29.700 -0.477 0.000 0.746 321 E HN 0.271 nan 8.360 nan 0.000 0.450 322 L N 0.731 121.968 121.223 0.023 0.000 2.017 322 L HA -0.145 4.239 4.340 0.073 0.000 0.208 322 L C 2.269 179.234 176.870 0.158 0.000 1.073 322 L CA 1.832 56.729 54.840 0.094 0.000 0.745 322 L CB -0.891 41.282 42.059 0.190 0.000 0.894 322 L HN 0.303 nan 8.230 nan 0.000 0.432 323 W N 0.879 122.212 121.300 0.056 0.000 2.338 323 W HA -0.213 4.491 4.660 0.074 0.000 0.304 323 W C 2.222 178.768 176.519 0.046 0.000 1.212 323 W CA 2.207 59.596 57.345 0.073 0.000 1.264 323 W CB -0.086 29.421 29.460 0.078 0.000 1.142 323 W HN 0.359 nan 8.180 nan 0.000 0.512 324 E N -0.132 120.225 120.200 0.261 0.000 2.107 324 E HA -0.124 4.270 4.350 0.073 0.000 0.191 324 E C 2.369 178.991 176.600 0.036 0.000 0.982 324 E CA 1.021 57.502 56.400 0.135 0.000 0.809 324 E CB -0.353 29.379 29.700 0.053 0.000 0.756 324 E HN 0.165 nan 8.360 nan 0.000 0.459 325 A N 1.425 124.263 122.820 0.030 0.000 1.883 325 A HA -0.199 4.165 4.320 0.073 0.000 0.217 325 A C 2.175 179.774 177.584 0.026 0.000 1.186 325 A CA 1.218 53.267 52.037 0.020 0.000 0.624 325 A CB -0.655 18.358 19.000 0.021 0.000 0.822 325 A HN 0.140 nan 8.150 nan 0.000 0.444 326 I N -0.468 120.141 120.570 0.065 0.000 2.286 326 I HA -0.251 3.962 4.170 0.073 0.000 0.248 326 I C 2.494 178.676 176.117 0.109 0.000 1.115 326 I CA 1.491 62.884 61.300 0.155 0.000 1.392 326 I CB -0.379 37.649 38.000 0.048 0.000 1.065 326 I HN 0.431 nan 8.210 nan 0.000 0.418 327 E N 0.723 120.935 120.200 0.021 0.000 2.153 327 E HA -0.187 4.207 4.350 0.073 0.000 0.194 327 E C 2.230 178.843 176.600 0.021 0.000 0.988 327 E CA 1.228 57.652 56.400 0.039 0.000 0.811 327 E CB -0.099 29.658 29.700 0.095 0.000 0.746 327 E HN 0.518 nan 8.360 nan 0.000 0.466 328 A N 0.024 122.832 122.820 -0.020 0.000 2.119 328 A HA 0.161 4.525 4.320 0.073 0.000 0.216 328 A C 1.813 179.328 177.584 -0.116 0.000 1.152 328 A CA 1.095 53.100 52.037 -0.052 0.000 0.708 328 A CB -0.112 18.850 19.000 -0.064 0.000 0.805 328 A HN 0.355 nan 8.150 nan 0.000 0.460 329 G N -0.804 107.840 108.800 -0.260 0.000 2.157 329 G HA2 -0.184 3.820 3.960 0.073 0.000 0.239 329 G HA3 -0.184 3.820 3.960 0.073 0.000 0.239 329 G C -0.150 174.229 174.900 -0.867 0.000 0.982 329 G CA 0.244 44.922 45.100 -0.702 0.000 0.650 329 G HN 0.396 nan 8.290 nan 0.000 0.527 330 D N 1.045 121.183 120.400 -0.437 0.000 2.994 330 D HA 0.292 4.976 4.640 0.073 0.000 0.240 330 D C 0.772 176.977 176.300 -0.159 0.000 1.195 330 D CA -0.201 53.653 54.000 -0.243 0.000 0.957 330 D CB -0.734 40.038 40.800 -0.047 0.000 1.105 330 D HN 0.433 nan 8.370 nan 0.000 0.477 331 F N 1.198 121.147 119.950 -0.002 0.000 2.602 331 F HA 0.103 4.673 4.527 0.073 0.000 0.385 331 F C -1.415 174.350 175.800 -0.058 0.000 1.063 331 F CA -1.914 56.076 58.000 -0.017 0.000 1.233 331 F CB -0.097 38.907 39.000 0.006 0.000 1.067 331 F HN -0.088 nan 8.300 nan 0.000 0.564 332 P HA 0.011 nan 4.420 nan 0.000 0.263 332 P C -1.021 176.202 177.300 -0.129 0.000 1.195 332 P CA 0.371 63.434 63.100 -0.062 0.000 0.762 332 P CB 0.442 32.175 31.700 0.055 0.000 0.799 333 E N 2.689 122.681 120.200 -0.345 0.000 2.222 333 E HA 0.428 4.822 4.350 0.073 0.000 0.267 333 E C -1.030 175.292 176.600 -0.463 0.000 0.884 333 E CA -0.596 55.661 56.400 -0.238 0.000 0.764 333 E CB 1.514 31.178 29.700 -0.060 0.000 1.169 333 E HN 0.387 nan 8.360 nan 0.000 0.413 334 Y N 0.393 120.772 120.300 0.132 0.000 2.442 334 Y HA 0.241 4.835 4.550 0.073 0.000 0.344 334 Y C -0.183 175.953 175.900 0.394 0.000 0.976 334 Y CA -0.976 57.276 58.100 0.254 0.000 1.040 334 Y CB 2.040 40.639 38.460 0.230 0.000 1.228 334 Y HN 0.475 nan 8.280 nan 0.000 0.451 335 E N 3.237 123.771 120.200 0.558 0.000 2.109 335 E HA 0.378 4.772 4.350 0.073 0.000 0.278 335 E C -1.436 175.438 176.600 0.456 0.000 0.954 335 E CA -0.976 55.700 56.400 0.459 0.000 0.779 335 E CB 1.029 30.940 29.700 0.351 0.000 1.093 335 E HN 0.640 nan 8.360 nan 0.000 0.401 336 L N 4.343 125.776 121.223 0.350 0.000 2.453 336 L HA 0.451 4.834 4.340 0.073 0.000 0.272 336 L C -0.047 176.767 176.870 -0.093 0.000 1.182 336 L CA 0.773 55.541 54.840 -0.120 0.000 0.858 336 L CB 0.941 42.851 42.059 -0.249 0.000 1.120 336 L HN 0.594 nan 8.230 nan 0.000 0.474 337 G N 4.449 113.196 108.800 -0.088 0.000 2.620 337 G HA2 0.580 4.584 3.960 0.073 0.000 0.301 337 G HA3 0.580 4.584 3.960 0.073 0.000 0.301 337 G C -1.644 173.356 174.900 0.167 0.000 1.347 337 G CA -0.514 44.573 45.100 -0.021 0.000 0.971 337 G HN 0.472 nan 8.290 nan 0.000 0.488 338 F N 0.242 120.200 119.950 0.013 0.000 2.507 338 F HA 0.395 4.966 4.527 0.073 0.000 0.325 338 F C 0.290 176.067 175.800 -0.038 0.000 1.116 338 F CA -0.988 57.012 58.000 -0.000 0.000 0.930 338 F CB 2.656 41.638 39.000 -0.031 0.000 1.146 338 F HN 0.139 nan 8.300 nan 0.000 0.447 339 Q N 4.489 124.388 119.800 0.165 0.000 2.331 339 Q HA 0.506 4.890 4.340 0.073 0.000 0.257 339 Q C -1.095 174.937 176.000 0.053 0.000 0.957 339 Q CA -0.462 55.387 55.803 0.075 0.000 0.923 339 Q CB 2.072 30.859 28.738 0.081 0.000 1.212 339 Q HN 0.546 nan 8.270 nan 0.000 0.443 340 L N 4.131 125.393 121.223 0.064 0.000 2.322 340 L HA 0.583 4.967 4.340 0.073 0.000 0.281 340 L C -0.814 176.100 176.870 0.073 0.000 1.014 340 L CA -0.812 54.053 54.840 0.042 0.000 0.815 340 L CB 1.232 43.322 42.059 0.052 0.000 1.247 340 L HN 0.501 nan 8.230 nan 0.000 0.421 341 I N 4.166 124.794 120.570 0.097 0.000 2.466 341 I HA 0.426 4.639 4.170 0.073 0.000 0.289 341 I C -2.345 173.865 176.117 0.156 0.000 1.026 341 I CA -1.879 59.521 61.300 0.167 0.000 1.078 341 I CB 1.788 39.922 38.000 0.224 0.000 1.249 341 I HN 0.298 nan 8.210 nan 0.000 0.429 342 P HA 0.056 nan 4.420 nan 0.000 0.269 342 P C 0.731 178.070 177.300 0.063 0.000 1.209 342 P CA -0.145 62.975 63.100 0.034 0.000 0.776 342 P CB 0.842 32.563 31.700 0.036 0.000 0.876 343 E N 2.372 122.510 120.200 -0.103 0.000 2.097 343 E HA -0.274 4.120 4.350 0.073 0.000 0.196 343 E C 1.453 178.109 176.600 0.093 0.000 1.000 343 E CA 1.248 57.571 56.400 -0.128 0.000 0.804 343 E CB 0.009 29.570 29.700 -0.231 0.000 0.740 343 E HN 0.523 nan 8.360 nan 0.000 0.454 344 E N 0.191 120.430 120.200 0.065 0.000 2.472 344 E HA -0.182 4.212 4.350 0.073 0.000 0.200 344 E C 0.448 177.106 176.600 0.097 0.000 1.046 344 E CA 0.907 57.360 56.400 0.088 0.000 0.871 344 E CB -0.016 29.718 29.700 0.057 0.000 0.806 344 E HN 0.231 nan 8.360 nan 0.000 0.533 345 D N 1.241 121.708 120.400 0.113 0.000 2.328 345 D HA -0.002 4.682 4.640 0.073 0.000 0.221 345 D C 1.384 177.745 176.300 0.100 0.000 1.072 345 D CA 0.083 54.139 54.000 0.094 0.000 0.850 345 D CB 0.134 41.007 40.800 0.121 0.000 0.922 345 D HN 0.404 nan 8.370 nan 0.000 0.516 346 E N -0.044 120.181 120.200 0.042 0.000 2.086 346 E HA -0.220 4.173 4.350 0.073 0.000 0.205 346 E C 0.301 176.622 176.600 -0.465 0.000 1.027 346 E CA 1.207 57.427 56.400 -0.299 0.000 0.830 346 E CB -0.034 29.346 29.700 -0.535 0.000 0.751 346 E HN 0.272 nan 8.360 nan 0.000 0.456 347 F N -0.467 119.511 119.950 0.047 0.000 2.819 347 F HA 0.275 4.846 4.527 0.073 0.000 0.294 347 F C 1.252 177.008 175.800 -0.073 0.000 1.166 347 F CA -0.309 57.689 58.000 -0.003 0.000 1.374 347 F CB 0.552 39.551 39.000 -0.001 0.000 0.956 347 F HN -0.151 nan 8.300 nan 0.000 0.509 348 K N -0.104 120.256 120.400 -0.068 0.000 2.379 348 K HA 0.181 4.545 4.320 0.073 0.000 0.194 348 K C -0.023 176.234 176.600 -0.572 0.000 1.031 348 K CA 0.264 56.349 56.287 -0.337 0.000 1.037 348 K CB 0.201 32.391 32.500 -0.517 0.000 0.824 348 K HN 0.073 nan 8.250 nan 0.000 0.516 349 F N 0.058 119.851 119.950 -0.262 0.000 2.411 349 F HA 0.164 4.735 4.527 0.073 0.000 0.324 349 F C 1.283 176.856 175.800 -0.378 0.000 1.086 349 F CA -0.770 56.959 58.000 -0.452 0.000 1.028 349 F CB 0.697 39.065 39.000 -1.052 0.000 1.284 349 F HN -0.151 nan 8.300 nan 0.000 0.501 350 D N 0.216 120.558 120.400 -0.097 0.000 2.371 350 D HA -0.006 4.678 4.640 0.073 0.000 0.221 350 D C -0.255 176.096 176.300 0.085 0.000 0.986 350 D CA 0.973 55.004 54.000 0.053 0.000 0.899 350 D CB -0.216 40.716 40.800 0.221 0.000 0.902 350 D HN 0.247 nan 8.370 nan 0.000 0.530 351 F N -1.192 118.840 119.950 0.137 0.000 2.631 351 F HA 0.481 5.052 4.527 0.073 0.000 0.328 351 F C -0.114 175.677 175.800 -0.015 0.000 1.067 351 F CA -1.651 56.349 58.000 -0.001 0.000 0.969 351 F CB 0.779 39.718 39.000 -0.101 0.000 1.332 351 F HN -0.412 nan 8.300 nan 0.000 0.490 352 D N 1.346 121.781 120.400 0.057 0.000 2.264 352 D HA 0.217 4.900 4.640 0.073 0.000 0.250 352 D C 0.944 177.201 176.300 -0.072 0.000 1.113 352 D CA -0.090 53.890 54.000 -0.033 0.000 0.871 352 D CB 1.513 42.311 40.800 -0.002 0.000 1.167 352 D HN 0.736 nan 8.370 nan 0.000 0.447 353 L N 3.350 124.464 121.223 -0.182 0.000 2.201 353 L HA -0.114 4.270 4.340 0.073 0.000 0.212 353 L C 2.047 178.776 176.870 -0.235 0.000 1.105 353 L CA 0.625 55.323 54.840 -0.236 0.000 0.775 353 L CB -0.129 41.640 42.059 -0.484 0.000 0.913 353 L HN 0.437 nan 8.230 nan 0.000 0.440 354 L N -0.860 120.244 121.223 -0.198 0.000 2.599 354 L HA 0.028 4.412 4.340 0.073 0.000 0.230 354 L C 0.472 177.241 176.870 -0.168 0.000 1.141 354 L CA -0.054 54.735 54.840 -0.085 0.000 0.877 354 L CB -0.393 41.721 42.059 0.092 0.000 1.009 354 L HN 0.130 nan 8.230 nan 0.000 0.447 355 D N 1.802 121.858 120.400 -0.573 0.000 2.339 355 D HA 0.110 4.794 4.640 0.073 0.000 0.241 355 D C -1.628 174.435 176.300 -0.395 0.000 1.183 355 D CA -2.301 51.124 54.000 -0.958 0.000 0.859 355 D CB 1.512 41.528 40.800 -1.308 0.000 1.067 355 D HN -0.077 nan 8.370 nan 0.000 0.484 356 P HA -0.007 nan 4.420 nan 0.000 0.245 356 P C 0.793 178.000 177.300 -0.155 0.000 1.212 356 P CA 0.509 63.539 63.100 -0.117 0.000 0.774 356 P CB 0.002 31.724 31.700 0.038 0.000 0.999 357 T N -4.452 110.002 114.554 -0.167 0.000 3.086 357 T HA 0.165 4.558 4.350 0.073 0.000 0.250 357 T C 0.713 175.337 174.700 -0.127 0.000 1.074 357 T CA -0.100 61.916 62.100 -0.140 0.000 0.988 357 T CB -0.150 68.685 68.868 -0.055 0.000 0.988 357 T HN -0.146 nan 8.240 nan 0.000 0.530 358 K N 2.135 122.365 120.400 -0.282 0.000 2.221 358 K HA 0.589 4.953 4.320 0.073 0.000 0.258 358 K C -0.422 175.997 176.600 -0.302 0.000 0.944 358 K CA -0.824 55.189 56.287 -0.457 0.000 0.823 358 K CB 2.241 34.329 32.500 -0.688 0.000 1.113 358 K HN 0.314 nan 8.250 nan 0.000 0.431 359 L N -0.362 120.801 121.223 -0.101 0.000 2.332 359 L HA 0.669 5.053 4.340 0.073 0.000 0.269 359 L C -0.176 176.519 176.870 -0.292 0.000 1.016 359 L CA -0.539 54.202 54.840 -0.165 0.000 0.809 359 L CB 0.529 42.553 42.059 -0.058 0.000 1.280 359 L HN 0.459 nan 8.230 nan 0.000 0.447 360 I N 1.647 122.127 120.570 -0.151 0.000 2.330 360 I HA 0.380 4.594 4.170 0.073 0.000 0.286 360 I C -2.118 174.017 176.117 0.030 0.000 1.025 360 I CA -1.741 59.527 61.300 -0.054 0.000 1.197 360 I CB 1.045 39.028 38.000 -0.028 0.000 1.358 360 I HN 0.453 nan 8.210 nan 0.000 0.467 361 P HA -0.009 nan 4.420 nan 0.000 0.264 361 P C 0.333 177.699 177.300 0.110 0.000 1.183 361 P CA 0.205 63.352 63.100 0.079 0.000 0.763 361 P CB 0.607 32.351 31.700 0.072 0.000 0.807 362 E N 1.635 121.904 120.200 0.115 0.000 2.268 362 E HA -0.178 4.216 4.350 0.073 0.000 0.195 362 E C 1.404 178.058 176.600 0.089 0.000 0.995 362 E CA 0.699 57.157 56.400 0.098 0.000 0.836 362 E CB 0.002 29.761 29.700 0.099 0.000 0.763 362 E HN 0.506 nan 8.360 nan 0.000 0.491 363 E N 0.355 120.610 120.200 0.091 0.000 2.204 363 E HA -0.124 4.270 4.350 0.073 0.000 0.194 363 E C 2.046 178.709 176.600 0.105 0.000 0.989 363 E CA 0.708 57.158 56.400 0.083 0.000 0.824 363 E CB 0.122 29.864 29.700 0.070 0.000 0.756 363 E HN 0.369 nan 8.360 nan 0.000 0.477 364 L N -0.290 121.019 121.223 0.145 0.000 2.168 364 L HA 0.053 4.437 4.340 0.073 0.000 0.203 364 L C 0.715 177.703 176.870 0.196 0.000 1.078 364 L CA 0.482 55.443 54.840 0.201 0.000 0.780 364 L CB 0.319 42.579 42.059 0.336 0.000 0.939 364 L HN -0.202 nan 8.230 nan 0.000 0.451 365 V N 1.668 121.678 119.914 0.160 0.000 2.398 365 V HA 0.303 4.467 4.120 0.073 0.000 0.282 365 V C -2.318 173.821 176.094 0.076 0.000 1.014 365 V CA -1.458 60.918 62.300 0.127 0.000 0.838 365 V CB 1.443 33.334 31.823 0.113 0.000 1.018 365 V HN -0.026 nan 8.190 nan 0.000 0.432 366 P HA 0.128 nan 4.420 nan 0.000 0.269 366 P C -0.258 177.041 177.300 -0.002 0.000 1.215 366 P CA 0.055 63.175 63.100 0.033 0.000 0.780 366 P CB 1.277 33.001 31.700 0.040 0.000 0.898 367 V N 3.376 123.260 119.914 -0.051 0.000 2.408 367 V HA 0.078 4.242 4.120 0.073 0.000 0.267 367 V C 0.926 177.009 176.094 -0.018 0.000 1.047 367 V CA 0.038 62.272 62.300 -0.109 0.000 0.937 367 V CB 0.165 31.848 31.823 -0.233 0.000 0.999 367 V HN 0.553 nan 8.190 nan 0.000 0.472 368 Q N 6.554 126.364 119.800 0.017 0.000 2.295 368 Q HA 0.277 4.661 4.340 0.073 0.000 0.259 368 Q C 0.491 176.490 176.000 -0.001 0.000 0.976 368 Q CA -0.718 55.100 55.803 0.025 0.000 0.923 368 Q CB 0.632 29.399 28.738 0.048 0.000 1.185 368 Q HN 0.807 nan 8.270 nan 0.000 0.410 369 R N 2.469 122.994 120.500 0.042 0.000 2.537 369 R HA 0.079 4.462 4.340 0.073 0.000 0.280 369 R C -0.619 175.723 176.300 0.071 0.000 1.058 369 R CA -0.217 55.949 56.100 0.111 0.000 1.057 369 R CB 0.702 31.135 30.300 0.222 0.000 0.973 369 R HN 0.516 nan 8.270 nan 0.000 0.438 370 V N 1.893 121.766 119.914 -0.068 0.000 3.090 370 V HA 0.326 4.490 4.120 0.073 0.000 0.237 370 V C 0.859 176.734 176.094 -0.365 0.000 1.209 370 V CA 1.096 63.241 62.300 -0.259 0.000 1.209 370 V CB 0.745 32.160 31.823 -0.680 0.000 0.971 370 V HN 1.062 nan 8.190 nan 0.000 0.477 371 G N -0.361 108.095 108.800 -0.574 0.000 2.488 371 G HA2 0.497 4.501 3.960 0.073 0.000 0.301 371 G HA3 0.497 4.501 3.960 0.073 0.000 0.301 371 G C -1.856 172.656 174.900 -0.646 0.000 1.339 371 G CA -0.530 43.935 45.100 -1.059 0.000 0.803 371 G HN 0.048 nan 8.290 nan 0.000 0.482 372 K N -0.484 119.565 120.400 -0.585 0.000 2.316 372 K HA 0.747 5.111 4.320 0.073 0.000 0.251 372 K C -0.893 175.741 176.600 0.057 0.000 0.934 372 K CA -0.820 55.434 56.287 -0.055 0.000 0.802 372 K CB 2.066 34.587 32.500 0.035 0.000 1.171 372 K HN 0.606 nan 8.250 nan 0.000 0.426 373 M N 4.496 124.259 119.600 0.272 0.000 2.321 373 M HA 0.406 4.930 4.480 0.073 0.000 0.315 373 M C -1.845 174.451 176.300 -0.006 0.000 1.052 373 M CA -0.750 54.664 55.300 0.189 0.000 0.936 373 M CB 1.769 34.562 32.600 0.322 0.000 1.639 373 M HN 0.342 nan 8.290 nan 0.000 0.433 374 V N 5.528 125.278 119.914 -0.274 0.000 2.487 374 V HA 0.461 4.624 4.120 0.073 0.000 0.298 374 V C -0.917 175.071 176.094 -0.177 0.000 1.028 374 V CA -0.815 61.348 62.300 -0.229 0.000 0.860 374 V CB 1.792 33.367 31.823 -0.412 0.000 0.991 374 V HN 0.692 nan 8.190 nan 0.000 0.427 375 L N 5.918 127.113 121.223 -0.047 0.000 2.259 375 L HA 0.472 4.856 4.340 0.073 0.000 0.288 375 L C 0.714 177.496 176.870 -0.147 0.000 1.051 375 L CA 0.195 55.008 54.840 -0.044 0.000 0.824 375 L CB 0.838 42.931 42.059 0.055 0.000 1.206 375 L HN 0.868 nan 8.230 nan 0.000 0.429 376 N N 1.994 120.513 118.700 -0.302 0.000 2.160 376 N HA 0.142 4.926 4.740 0.073 0.000 0.226 376 N C 0.074 175.399 175.510 -0.308 0.000 1.256 376 N CA -0.233 52.383 53.050 -0.723 0.000 0.890 376 N CB 0.718 38.419 38.487 -1.310 0.000 1.116 376 N HN 0.327 nan 8.380 nan 0.000 0.517 377 R N 0.505 120.929 120.500 -0.127 0.000 2.522 377 R HA 0.315 4.699 4.340 0.073 0.000 0.283 377 R C -1.150 175.100 176.300 -0.084 0.000 1.074 377 R CA -0.534 55.510 56.100 -0.094 0.000 0.925 377 R CB 1.339 31.587 30.300 -0.088 0.000 1.205 377 R HN 0.074 nan 8.270 nan 0.000 0.436 378 N N 3.026 121.552 118.700 -0.291 0.000 2.399 378 N HA 0.268 5.052 4.740 0.073 0.000 0.250 378 N C -2.265 173.176 175.510 -0.115 0.000 1.272 378 N CA -1.205 51.525 53.050 -0.534 0.000 0.928 378 N CB 0.419 37.891 38.487 -1.691 0.000 1.158 378 N HN 0.286 nan 8.380 nan 0.000 0.463 379 P HA 0.163 nan 4.420 nan 0.000 0.275 379 P C 0.180 177.676 177.300 0.327 0.000 1.266 379 P CA -0.164 63.143 63.100 0.345 0.000 0.793 379 P CB 0.943 32.895 31.700 0.419 0.000 1.074 380 D N -1.217 119.343 120.400 0.267 0.000 2.197 380 D HA -0.018 4.666 4.640 0.073 0.000 0.212 380 D C 0.347 176.822 176.300 0.291 0.000 0.963 380 D CA 1.377 55.524 54.000 0.246 0.000 0.864 380 D CB 0.175 41.060 40.800 0.140 0.000 1.009 380 D HN 0.373 nan 8.370 nan 0.000 0.479 381 N N -0.193 118.672 118.700 0.275 0.000 2.461 381 N HA 0.003 4.786 4.740 0.073 0.000 0.284 381 N C 0.107 175.819 175.510 0.338 0.000 1.049 381 N CA -0.340 52.882 53.050 0.286 0.000 0.889 381 N CB 1.528 40.150 38.487 0.225 0.000 1.365 381 N HN -0.163 nan 8.380 nan 0.000 0.499 382 F N 4.407 124.505 119.950 0.247 0.000 2.065 382 F HA -0.210 4.360 4.527 0.071 0.000 0.298 382 F C 1.705 177.643 175.800 0.230 0.000 1.112 382 F CA 1.674 59.823 58.000 0.248 0.000 1.212 382 F CB -0.160 38.952 39.000 0.187 0.000 0.975 382 F HN 0.617 nan 8.300 nan 0.000 0.476 383 F N 0.822 121.005 119.950 0.388 0.000 2.046 383 F HA -0.191 4.387 4.527 0.086 0.000 0.297 383 F C 2.373 178.226 175.800 0.089 0.000 1.123 383 F CA 1.963 60.109 58.000 0.245 0.000 1.199 383 F CB -1.028 38.089 39.000 0.195 0.000 0.972 383 F HN 0.021 nan 8.300 nan 0.000 0.474 384 A N -0.198 122.783 122.820 0.269 0.000 1.883 384 A HA -0.233 4.131 4.320 0.073 0.000 0.217 384 A C 2.070 179.598 177.584 -0.094 0.000 1.186 384 A CA 2.253 54.347 52.037 0.095 0.000 0.624 384 A CB -0.828 18.268 19.000 0.161 0.000 0.822 384 A HN 0.632 nan 8.150 nan 0.000 0.444 385 E N -1.479 118.680 120.200 -0.069 0.000 2.132 385 E HA -0.065 4.328 4.350 0.073 0.000 0.193 385 E C 2.046 178.564 176.600 -0.137 0.000 0.951 385 E CA 0.488 56.787 56.400 -0.169 0.000 0.843 385 E CB -0.149 29.512 29.700 -0.065 0.000 0.807 385 E HN 0.580 nan 8.360 nan 0.000 0.467 386 N N 1.355 119.963 118.700 -0.153 0.000 2.124 386 N HA -0.169 4.614 4.740 0.073 0.000 0.188 386 N C 1.852 177.197 175.510 -0.275 0.000 1.045 386 N CA 1.398 54.297 53.050 -0.253 0.000 0.846 386 N CB 0.019 37.940 38.487 -0.943 0.000 1.020 386 N HN -0.061 nan 8.380 nan 0.000 0.432 387 E N 0.878 120.850 120.200 -0.378 0.000 2.085 387 E HA -0.132 4.262 4.350 0.073 0.000 0.194 387 E C 1.742 178.158 176.600 -0.307 0.000 0.994 387 E CA 1.557 57.808 56.400 -0.249 0.000 0.801 387 E CB -0.213 29.377 29.700 -0.183 0.000 0.743 387 E HN 0.497 nan 8.360 nan 0.000 0.453 388 Q N -0.305 119.239 119.800 -0.425 0.000 2.482 388 Q HA 0.194 4.577 4.340 0.073 0.000 0.209 388 Q C 0.007 175.886 176.000 -0.200 0.000 0.961 388 Q CA 0.264 55.871 55.803 -0.327 0.000 0.945 388 Q CB 0.308 28.832 28.738 -0.357 0.000 1.012 388 Q HN 0.226 nan 8.270 nan 0.000 0.515 389 A N 1.143 123.861 122.820 -0.170 0.000 2.477 389 A HA 0.468 4.831 4.320 0.073 0.000 0.246 389 A C -0.174 177.289 177.584 -0.201 0.000 1.078 389 A CA 0.119 52.030 52.037 -0.209 0.000 0.770 389 A CB 0.281 19.222 19.000 -0.099 0.000 1.011 389 A HN 0.262 nan 8.150 nan 0.000 0.494 390 A N 2.541 125.178 122.820 -0.305 0.000 2.340 390 A HA 0.703 5.067 4.320 0.073 0.000 0.297 390 A C -0.802 176.639 177.584 -0.239 0.000 1.195 390 A CA -0.414 51.522 52.037 -0.169 0.000 0.769 390 A CB 0.277 19.227 19.000 -0.085 0.000 1.163 390 A HN 0.642 nan 8.150 nan 0.000 0.472 391 F N 1.800 121.747 119.950 -0.006 0.000 2.458 391 F HA 0.630 5.200 4.527 0.072 0.000 0.330 391 F C 0.422 176.117 175.800 -0.175 0.000 1.082 391 F CA -0.226 57.737 58.000 -0.062 0.000 0.995 391 F CB 1.809 40.748 39.000 -0.102 0.000 1.170 391 F HN 0.647 nan 8.300 nan 0.000 0.478 392 H N 3.834 122.691 119.070 -0.355 0.000 3.017 392 H HA 0.272 4.872 4.556 0.073 0.000 0.340 392 H C -2.405 172.564 175.328 -0.598 0.000 1.014 392 H CA -2.636 52.945 56.048 -0.779 0.000 1.341 392 H CB 2.819 31.932 29.762 -1.081 0.000 1.739 392 H HN 0.214 nan 8.280 nan 0.000 0.506 393 P HA -0.009 nan 4.420 nan 0.000 0.230 393 P C 1.125 178.520 177.300 0.158 0.000 1.158 393 P CA 1.064 64.145 63.100 -0.032 0.000 0.769 393 P CB 0.126 31.812 31.700 -0.024 0.000 0.807 394 G N -1.077 107.671 108.800 -0.087 0.000 2.572 394 G HA2 -0.131 3.873 3.960 0.073 0.000 0.216 394 G HA3 -0.131 3.873 3.960 0.073 0.000 0.216 394 G C 0.449 175.307 174.900 -0.071 0.000 1.133 394 G CA -0.016 44.963 45.100 -0.202 0.000 0.791 394 G HN 0.417 nan 8.290 nan 0.000 0.538 395 H N 0.893 119.866 119.070 -0.162 0.000 3.224 395 H HA 0.333 4.932 4.556 0.072 0.000 0.265 395 H C 0.513 175.886 175.328 0.075 0.000 1.461 395 H CA -0.733 55.269 56.048 -0.077 0.000 1.509 395 H CB -0.091 29.634 29.762 -0.062 0.000 1.686 395 H HN 0.366 nan 8.280 nan 0.000 0.514 396 I N -0.226 120.399 120.570 0.091 0.000 3.100 396 I HA 0.680 4.894 4.170 0.073 0.000 0.312 396 I C -0.157 175.900 176.117 -0.101 0.000 1.063 396 I CA -1.437 59.839 61.300 -0.040 0.000 1.031 396 I CB 1.907 39.756 38.000 -0.252 0.000 1.243 396 I HN 0.130 nan 8.210 nan 0.000 0.483 397 V N -1.830 118.009 119.914 -0.126 0.000 3.040 397 V HA 0.670 4.833 4.120 0.073 0.000 0.312 397 V C -2.845 173.304 176.094 0.091 0.000 1.115 397 V CA -2.564 59.730 62.300 -0.010 0.000 0.998 397 V CB 1.072 32.894 31.823 -0.001 0.000 1.042 397 V HN 0.641 nan 8.190 nan 0.000 0.433 398 P HA 0.345 nan 4.420 nan 0.000 0.262 398 P C 0.919 178.223 177.300 0.005 0.000 1.182 398 P CA 1.983 65.166 63.100 0.138 0.000 0.761 398 P CB 0.598 32.360 31.700 0.104 0.000 0.795 399 G N 1.601 110.362 108.800 -0.065 0.000 2.201 399 G HA2 -0.155 3.849 3.960 0.073 0.000 0.212 399 G HA3 -0.155 3.849 3.960 0.073 0.000 0.212 399 G C -0.298 174.513 174.900 -0.148 0.000 0.994 399 G CA -0.428 44.608 45.100 -0.107 0.000 0.644 399 G HN 0.457 nan 8.290 nan 0.000 0.508 400 L N -0.063 121.079 121.223 -0.134 0.000 2.350 400 L HA 0.921 5.305 4.340 0.073 0.000 0.260 400 L C -0.710 176.090 176.870 -0.117 0.000 1.015 400 L CA -1.063 53.669 54.840 -0.179 0.000 0.821 400 L CB 2.284 44.151 42.059 -0.321 0.000 1.370 400 L HN 0.093 nan 8.230 nan 0.000 0.416 401 D N -0.558 119.761 120.400 -0.135 0.000 2.671 401 D HA 0.458 5.141 4.640 0.073 0.000 0.273 401 D C -1.321 174.934 176.300 -0.076 0.000 1.264 401 D CA -0.330 53.569 54.000 -0.168 0.000 0.788 401 D CB 1.900 42.676 40.800 -0.039 0.000 1.324 401 D HN 0.127 nan 8.370 nan 0.000 0.424 402 F N -0.204 119.886 119.950 0.234 0.000 2.362 402 F HA 0.591 5.162 4.527 0.073 0.000 0.340 402 F C 1.450 177.289 175.800 0.064 0.000 1.088 402 F CA -0.295 57.779 58.000 0.125 0.000 1.096 402 F CB 1.048 40.088 39.000 0.067 0.000 1.486 402 F HN 0.225 nan 8.300 nan 0.000 0.500 403 T N -3.321 111.347 114.554 0.191 0.000 2.831 403 T HA 0.307 4.700 4.350 0.073 0.000 0.287 403 T C -0.053 174.686 174.700 0.065 0.000 1.070 403 T CA -0.960 61.223 62.100 0.138 0.000 1.010 403 T CB 1.206 70.130 68.868 0.093 0.000 1.264 403 T HN 0.340 nan 8.240 nan 0.000 0.532 404 N N 1.066 119.810 118.700 0.073 0.000 2.521 404 N HA 0.033 4.817 4.740 0.073 0.000 0.188 404 N C 0.134 175.659 175.510 0.025 0.000 1.146 404 N CA 0.170 53.247 53.050 0.045 0.000 0.893 404 N CB -0.509 38.021 38.487 0.071 0.000 0.975 404 N HN 0.691 nan 8.380 nan 0.000 0.451 405 D N 2.200 122.601 120.400 0.001 0.000 2.793 405 D HA -0.096 4.587 4.640 0.073 0.000 0.230 405 D C -1.323 174.971 176.300 -0.011 0.000 1.139 405 D CA -0.797 53.219 54.000 0.026 0.000 0.838 405 D CB 1.176 41.933 40.800 -0.072 0.000 1.149 405 D HN 0.170 nan 8.370 nan 0.000 0.526 406 P HA -0.111 nan 4.420 nan 0.000 0.229 406 P C 1.542 178.854 177.300 0.021 0.000 1.160 406 P CA 0.145 63.262 63.100 0.028 0.000 0.777 406 P CB 0.427 32.143 31.700 0.027 0.000 0.814 407 L N -0.280 120.971 121.223 0.046 0.000 2.102 407 L HA 0.013 4.397 4.340 0.073 0.000 0.202 407 L C 2.395 179.181 176.870 -0.139 0.000 1.076 407 L CA 1.249 56.111 54.840 0.036 0.000 0.761 407 L CB -1.614 40.555 42.059 0.182 0.000 0.921 407 L HN -0.173 nan 8.230 nan 0.000 0.444 408 L N -0.455 120.518 121.223 -0.417 0.000 2.012 408 L HA -0.231 4.153 4.340 0.073 0.000 0.210 408 L C 2.474 179.117 176.870 -0.379 0.000 1.073 408 L CA 1.816 56.212 54.840 -0.739 0.000 0.748 408 L CB -0.964 40.424 42.059 -1.117 0.000 0.891 408 L HN 0.378 nan 8.230 nan 0.000 0.431 409 Q N -0.141 119.496 119.800 -0.271 0.000 2.077 409 Q HA -0.194 4.190 4.340 0.073 0.000 0.206 409 Q C 2.110 178.038 176.000 -0.120 0.000 0.989 409 Q CA 1.955 57.643 55.803 -0.191 0.000 0.853 409 Q CB -0.921 27.750 28.738 -0.112 0.000 0.907 409 Q HN 0.712 nan 8.270 nan 0.000 0.418 410 G N 0.511 109.265 108.800 -0.076 0.000 2.422 410 G HA2 -0.231 3.773 3.960 0.073 0.000 0.218 410 G HA3 -0.231 3.773 3.960 0.073 0.000 0.218 410 G C 1.525 176.432 174.900 0.011 0.000 1.140 410 G CA 0.348 45.440 45.100 -0.014 0.000 0.775 410 G HN 0.255 nan 8.290 nan 0.000 0.545 411 R N -0.108 120.360 120.500 -0.055 0.000 2.105 411 R HA 0.003 4.386 4.340 0.073 0.000 0.239 411 R C 2.556 178.938 176.300 0.137 0.000 1.135 411 R CA 0.996 57.120 56.100 0.041 0.000 0.967 411 R CB -0.504 29.815 30.300 0.032 0.000 0.861 411 R HN 0.350 nan 8.270 nan 0.000 0.442 412 L N -0.400 120.837 121.223 0.023 0.000 2.081 412 L HA -0.231 4.153 4.340 0.073 0.000 0.212 412 L C 2.321 179.314 176.870 0.204 0.000 1.080 412 L CA 1.324 56.207 54.840 0.071 0.000 0.754 412 L CB -0.511 41.414 42.059 -0.224 0.000 0.893 412 L HN 0.176 nan 8.230 nan 0.000 0.433 413 F N 0.065 120.030 119.950 0.025 0.000 2.187 413 F HA -0.161 4.410 4.527 0.074 0.000 0.295 413 F C 2.801 178.602 175.800 0.002 0.000 1.091 413 F CA 1.500 59.515 58.000 0.025 0.000 1.308 413 F CB -0.249 38.746 39.000 -0.008 0.000 1.030 413 F HN -0.065 nan 8.300 nan 0.000 0.487 414 S N -0.671 114.994 115.700 -0.059 0.000 2.368 414 S HA -0.223 4.290 4.470 0.073 0.000 0.225 414 S C 2.032 176.373 174.600 -0.432 0.000 1.030 414 S CA 1.620 59.667 58.200 -0.256 0.000 0.999 414 S CB -0.740 62.347 63.200 -0.187 0.000 0.844 414 S HN 0.565 nan 8.310 nan 0.000 0.459 415 Y N 1.513 121.452 120.300 -0.603 0.000 2.263 415 Y HA -0.048 4.546 4.550 0.073 0.000 0.292 415 Y C 2.969 178.486 175.900 -0.639 0.000 1.130 415 Y CA 1.318 58.970 58.100 -0.747 0.000 1.179 415 Y CB -0.944 36.800 38.460 -1.193 0.000 0.998 415 Y HN 0.237 nan 8.280 nan 0.000 0.532 416 T N -0.228 114.107 114.554 -0.365 0.000 2.622 416 T HA -0.264 4.129 4.350 0.073 0.000 0.266 416 T C 1.447 175.990 174.700 -0.262 0.000 1.047 416 T CA 1.843 63.855 62.100 -0.145 0.000 1.159 416 T CB -0.596 68.269 68.868 -0.005 0.000 0.863 416 T HN 0.359 nan 8.240 nan 0.000 0.422 417 D N 0.376 120.535 120.400 -0.401 0.000 2.106 417 D HA -0.142 4.542 4.640 0.073 0.000 0.191 417 D C 2.311 178.455 176.300 -0.259 0.000 0.997 417 D CA 1.875 55.650 54.000 -0.375 0.000 0.834 417 D CB -0.580 39.849 40.800 -0.618 0.000 0.956 417 D HN 0.289 nan 8.370 nan 0.000 0.448 418 T N -1.145 113.237 114.554 -0.287 0.000 2.833 418 T HA -0.139 4.255 4.350 0.073 0.000 0.269 418 T C 1.854 176.419 174.700 -0.225 0.000 1.054 418 T CA 1.399 63.365 62.100 -0.223 0.000 1.135 418 T CB -0.220 68.502 68.868 -0.242 0.000 0.869 418 T HN 0.226 nan 8.240 nan 0.000 0.466 419 Q N -0.099 119.508 119.800 -0.321 0.000 2.224 419 Q HA 0.006 4.390 4.340 0.073 0.000 0.203 419 Q C 2.120 177.945 176.000 -0.292 0.000 0.970 419 Q CA 0.847 56.397 55.803 -0.422 0.000 0.865 419 Q CB -0.055 28.183 28.738 -0.834 0.000 0.922 419 Q HN 0.456 nan 8.270 nan 0.000 0.445 420 I N 0.356 120.821 120.570 -0.174 0.000 2.361 420 I HA -0.219 3.994 4.170 0.073 0.000 0.251 420 I C 2.225 178.336 176.117 -0.011 0.000 1.133 420 I CA 1.577 62.861 61.300 -0.026 0.000 1.413 420 I CB -1.019 36.976 38.000 -0.008 0.000 1.073 420 I HN 0.231 nan 8.210 nan 0.000 0.424 421 S N -0.115 115.561 115.700 -0.041 0.000 2.502 421 S HA -0.006 4.508 4.470 0.073 0.000 0.228 421 S C 2.100 176.688 174.600 -0.021 0.000 1.061 421 S CA -0.126 58.064 58.200 -0.017 0.000 0.935 421 S CB -0.224 62.966 63.200 -0.016 0.000 0.809 421 S HN 0.270 nan 8.310 nan 0.000 0.510 422 R N 1.103 121.570 120.500 -0.054 0.000 2.081 422 R HA 0.144 4.528 4.340 0.073 0.000 0.235 422 R C 1.168 177.449 176.300 -0.031 0.000 1.131 422 R CA 1.397 57.469 56.100 -0.046 0.000 0.960 422 R CB -0.288 29.965 30.300 -0.077 0.000 0.856 422 R HN 0.450 nan 8.270 nan 0.000 0.436 423 L N -0.320 120.879 121.223 -0.040 0.000 2.872 423 L HA 0.330 4.714 4.340 0.073 0.000 0.245 423 L C 0.836 177.735 176.870 0.048 0.000 1.211 423 L CA 0.210 55.051 54.840 0.001 0.000 1.013 423 L CB 0.948 43.015 42.059 0.013 0.000 1.326 423 L HN 0.535 nan 8.230 nan 0.000 0.525 424 G N 0.131 108.956 108.800 0.041 0.000 2.175 424 G HA2 -0.171 3.833 3.960 0.073 0.000 0.265 424 G HA3 -0.171 3.833 3.960 0.073 0.000 0.265 424 G C 0.475 175.425 174.900 0.083 0.000 0.979 424 G CA 0.228 45.361 45.100 0.056 0.000 0.663 424 G HN 0.770 nan 8.290 nan 0.000 0.533 425 G N -1.927 106.945 108.800 0.120 0.000 2.327 425 G HA2 0.623 4.627 3.960 0.073 0.000 0.291 425 G HA3 0.623 4.627 3.960 0.073 0.000 0.291 425 G C -2.408 172.643 174.900 0.253 0.000 1.290 425 G CA 0.349 45.536 45.100 0.145 0.000 0.857 425 G HN 0.380 nan 8.290 nan 0.000 0.520 426 P HA 0.158 nan 4.420 nan 0.000 0.255 426 P C 0.150 177.510 177.300 0.100 0.000 1.248 426 P CA 0.248 63.499 63.100 0.252 0.000 0.807 426 P CB 0.288 32.083 31.700 0.158 0.000 1.150 427 N N 0.384 119.115 118.700 0.052 0.000 2.320 427 N HA 0.079 4.863 4.740 0.073 0.000 0.237 427 N C 0.976 176.298 175.510 -0.313 0.000 1.129 427 N CA -0.198 52.753 53.050 -0.164 0.000 0.854 427 N CB -0.518 37.913 38.487 -0.094 0.000 1.083 427 N HN 0.254 nan 8.380 nan 0.000 0.504 428 F N 0.659 120.610 119.950 0.002 0.000 2.451 428 F HA -0.038 4.532 4.527 0.071 0.000 0.299 428 F C 2.198 177.960 175.800 -0.063 0.000 1.101 428 F CA 0.666 58.640 58.000 -0.043 0.000 1.436 428 F CB -0.730 38.262 39.000 -0.013 0.000 1.074 428 F HN 0.152 nan 8.300 nan 0.000 0.553 429 H N 0.439 118.992 119.070 -0.863 0.000 2.561 429 H HA 0.059 4.660 4.556 0.074 0.000 0.278 429 H C 0.795 175.944 175.328 -0.299 0.000 1.014 429 H CA 1.305 57.049 56.048 -0.506 0.000 1.211 429 H CB -0.745 28.613 29.762 -0.673 0.000 1.365 429 H HN 0.532 nan 8.280 nan 0.000 0.594 430 E N 0.879 120.665 120.200 -0.691 0.000 2.474 430 E HA 0.182 4.576 4.350 0.073 0.000 0.194 430 E C 0.311 176.790 176.600 -0.202 0.000 1.041 430 E CA -0.287 55.864 56.400 -0.415 0.000 0.874 430 E CB 0.523 29.983 29.700 -0.400 0.000 0.914 430 E HN 0.423 nan 8.360 nan 0.000 0.498 431 I N 2.809 123.279 120.570 -0.167 0.000 2.598 431 I HA -0.051 4.162 4.170 0.073 0.000 0.284 431 I C -1.538 174.514 176.117 -0.108 0.000 1.140 431 I CA -1.484 59.750 61.300 -0.110 0.000 1.420 431 I CB 0.525 38.474 38.000 -0.085 0.000 1.387 431 I HN -0.180 nan 8.210 nan 0.000 0.553 432 P HA -0.283 nan 4.420 nan 0.000 0.218 432 P C 1.731 178.952 177.300 -0.131 0.000 1.165 432 P CA 1.455 64.495 63.100 -0.100 0.000 0.922 432 P CB 0.139 31.789 31.700 -0.083 0.000 0.794 433 I N -0.881 119.582 120.570 -0.178 0.000 2.335 433 I HA -0.202 4.012 4.170 0.073 0.000 0.251 433 I C 1.363 177.386 176.117 -0.158 0.000 1.129 433 I CA 1.740 62.877 61.300 -0.271 0.000 1.402 433 I CB -0.735 36.990 38.000 -0.459 0.000 1.069 433 I HN -0.099 nan 8.210 nan 0.000 0.424 434 N N 0.636 119.269 118.700 -0.112 0.000 2.463 434 N HA 0.022 4.805 4.740 0.073 0.000 0.181 434 N C 0.348 175.861 175.510 0.005 0.000 1.078 434 N CA 0.239 53.257 53.050 -0.052 0.000 0.902 434 N CB -0.167 38.313 38.487 -0.012 0.000 0.970 434 N HN 0.370 nan 8.380 nan 0.000 0.451 435 R N 1.862 122.359 120.500 -0.006 0.000 2.522 435 R HA 0.122 4.505 4.340 0.073 0.000 0.284 435 R C -2.160 174.190 176.300 0.084 0.000 1.032 435 R CA -1.186 54.914 56.100 -0.000 0.000 1.049 435 R CB -0.019 30.266 30.300 -0.026 0.000 0.956 435 R HN 0.058 nan 8.270 nan 0.000 0.422 436 P HA -0.045 nan 4.420 nan 0.000 0.268 436 P C 0.553 177.917 177.300 0.107 0.000 1.208 436 P CA 0.156 63.320 63.100 0.106 0.000 0.777 436 P CB 0.596 32.319 31.700 0.038 0.000 0.875 437 T N -2.817 111.813 114.554 0.128 0.000 3.014 437 T HA 0.076 4.470 4.350 0.073 0.000 0.250 437 T C 0.958 175.698 174.700 0.068 0.000 1.060 437 T CA 0.029 62.163 62.100 0.057 0.000 1.040 437 T CB -0.960 67.923 68.868 0.025 0.000 0.971 437 T HN 0.599 nan 8.240 nan 0.000 0.497 438 C N 1.555 120.910 119.300 0.091 0.000 2.396 438 C HA 0.771 5.275 4.460 0.073 0.000 0.359 438 C C -2.394 172.652 174.990 0.094 0.000 1.307 438 C CA -2.348 56.722 59.018 0.087 0.000 2.392 438 C CB -0.028 27.768 27.740 0.093 0.000 2.245 438 C HN 0.187 nan 8.230 nan 0.000 0.615 439 P HA 0.336 nan 4.420 nan 0.000 0.271 439 P C -1.281 176.097 177.300 0.131 0.000 1.218 439 P CA 0.325 63.492 63.100 0.112 0.000 0.780 439 P CB 0.042 31.849 31.700 0.177 0.000 0.901 440 Y N 0.311 120.525 120.300 -0.144 0.000 2.361 440 Y HA 0.641 5.234 4.550 0.073 0.000 0.328 440 Y C -1.539 174.118 175.900 -0.406 0.000 1.044 440 Y CA -0.903 57.099 58.100 -0.163 0.000 1.085 440 Y CB 1.275 39.649 38.460 -0.143 0.000 1.194 440 Y HN 0.403 nan 8.280 nan 0.000 0.438 441 H N 4.093 123.063 119.070 -0.167 0.000 2.877 441 H HA 0.539 5.139 4.556 0.074 0.000 0.347 441 H C -1.083 174.129 175.328 -0.194 0.000 1.042 441 H CA -0.718 55.154 56.048 -0.292 0.000 1.276 441 H CB 1.634 31.258 29.762 -0.231 0.000 1.681 441 H HN 0.895 nan 8.280 nan 0.000 0.521 442 N N 0.504 119.098 118.700 -0.177 0.000 3.449 442 N HA 0.204 4.988 4.740 0.073 0.000 0.312 442 N C -1.158 174.130 175.510 -0.370 0.000 1.582 442 N CA -0.896 52.032 53.050 -0.204 0.000 0.850 442 N CB 0.722 39.234 38.487 0.042 0.000 1.822 442 N HN 0.297 nan 8.380 nan 0.000 0.577 443 F N -0.392 119.602 119.950 0.073 0.000 2.639 443 F HA 0.369 4.940 4.527 0.073 0.000 0.302 443 F C 0.312 176.158 175.800 0.076 0.000 1.097 443 F CA -0.367 57.670 58.000 0.063 0.000 1.294 443 F CB 0.315 39.347 39.000 0.054 0.000 1.027 443 F HN 0.139 nan 8.300 nan 0.000 0.550 444 Q N 1.560 121.472 119.800 0.187 0.000 2.314 444 Q HA 0.438 4.822 4.340 0.073 0.000 0.258 444 Q C 0.018 176.098 176.000 0.134 0.000 0.954 444 Q CA -0.157 55.738 55.803 0.152 0.000 0.890 444 Q CB 1.169 29.978 28.738 0.119 0.000 1.210 444 Q HN 0.081 nan 8.270 nan 0.000 0.410 445 R N 1.562 122.135 120.500 0.121 0.000 2.855 445 R HA 0.401 4.785 4.340 0.073 0.000 0.266 445 R C -0.669 175.683 176.300 0.086 0.000 1.034 445 R CA -0.692 55.468 56.100 0.100 0.000 0.944 445 R CB 1.082 31.442 30.300 0.099 0.000 1.219 445 R HN 0.707 nan 8.270 nan 0.000 0.474 446 D N -0.396 120.045 120.400 0.069 0.000 3.635 446 D HA -0.116 4.568 4.640 0.073 0.000 0.258 446 D C 0.228 176.565 176.300 0.062 0.000 1.899 446 D CA 1.980 56.014 54.000 0.056 0.000 1.163 446 D CB -0.955 39.878 40.800 0.055 0.000 0.848 446 D HN 0.894 nan 8.370 nan 0.000 1.044 447 G N -1.536 107.299 108.800 0.058 0.000 2.692 447 G HA2 0.261 4.265 3.960 0.073 0.000 0.686 447 G HA3 0.261 4.265 3.960 0.073 0.000 0.686 447 G C -0.279 174.659 174.900 0.063 0.000 1.243 447 G CA -0.032 45.108 45.100 0.067 0.000 0.782 447 G HN 0.792 nan 8.290 nan 0.000 0.625 448 M N 1.330 120.975 119.600 0.074 0.000 2.248 448 M HA 0.392 4.915 4.480 0.073 0.000 0.343 448 M C 1.127 177.506 176.300 0.132 0.000 1.243 448 M CA 1.332 56.683 55.300 0.086 0.000 1.025 448 M CB -0.702 31.953 32.600 0.091 0.000 1.759 448 M HN 1.565 nan 8.290 nan 0.000 0.452 449 H N 0.838 119.915 119.070 0.011 0.000 2.677 449 H HA -0.188 4.411 4.556 0.070 0.000 0.321 449 H C -0.652 174.666 175.328 -0.017 0.000 1.171 449 H CA 0.839 56.887 56.048 0.000 0.000 1.139 449 H CB -0.667 29.097 29.762 0.003 0.000 1.515 449 H HN 0.622 nan 8.280 nan 0.000 0.423 450 R N 1.413 121.917 120.500 0.007 0.000 2.370 450 R HA 0.065 4.449 4.340 0.073 0.000 0.309 450 R C 0.935 177.222 176.300 -0.021 0.000 1.059 450 R CA -0.017 56.085 56.100 0.005 0.000 0.981 450 R CB 0.270 30.576 30.300 0.009 0.000 0.972 450 R HN 0.358 nan 8.270 nan 0.000 0.437 451 M N 2.758 122.358 119.600 0.000 0.000 2.299 451 M HA 0.194 4.718 4.480 0.073 0.000 0.264 451 M C 0.961 177.252 176.300 -0.016 0.000 1.095 451 M CA 1.085 56.383 55.300 -0.002 0.000 1.165 451 M CB -0.981 31.625 32.600 0.011 0.000 1.349 451 M HN 0.725 nan 8.290 nan 0.000 0.446 452 G N 2.042 110.836 108.800 -0.009 0.000 2.272 452 G HA2 0.302 4.306 3.960 0.073 0.000 0.247 452 G HA3 0.302 4.306 3.960 0.073 0.000 0.247 452 G C -0.300 174.590 174.900 -0.017 0.000 1.272 452 G CA -0.283 44.809 45.100 -0.013 0.000 0.921 452 G HN 0.353 nan 8.290 nan 0.000 0.495 453 I N 3.099 123.652 120.570 -0.028 0.000 2.310 453 I HA 0.091 4.305 4.170 0.073 0.000 0.287 453 I C -0.196 175.906 176.117 -0.026 0.000 1.073 453 I CA -0.525 60.763 61.300 -0.021 0.000 1.216 453 I CB 0.792 38.780 38.000 -0.020 0.000 1.415 453 I HN 0.376 nan 8.210 nan 0.000 0.480 454 D N 4.674 125.063 120.400 -0.017 0.000 2.390 454 D HA 0.049 4.733 4.640 0.073 0.000 0.249 454 D C 1.227 177.524 176.300 -0.005 0.000 1.144 454 D CA 0.293 54.281 54.000 -0.020 0.000 0.880 454 D CB 1.775 42.571 40.800 -0.007 0.000 1.182 454 D HN 0.552 nan 8.370 nan 0.000 0.451 455 T N -0.806 113.742 114.554 -0.010 0.000 3.040 455 T HA -0.062 4.332 4.350 0.073 0.000 0.250 455 T C 0.856 175.562 174.700 0.010 0.000 1.058 455 T CA -0.529 61.571 62.100 -0.001 0.000 0.988 455 T CB 0.180 69.041 68.868 -0.011 0.000 0.993 455 T HN 0.128 nan 8.240 nan 0.000 0.519 456 N N 3.479 122.185 118.700 0.009 0.000 2.359 456 N HA 0.059 4.843 4.740 0.073 0.000 0.261 456 N C -1.644 173.901 175.510 0.057 0.000 1.267 456 N CA -1.345 51.723 53.050 0.029 0.000 0.864 456 N CB 1.398 39.898 38.487 0.021 0.000 1.063 456 N HN 0.085 nan 8.380 nan 0.000 0.474 457 P HA -0.040 nan 4.420 nan 0.000 0.218 457 P C -0.509 176.851 177.300 0.100 0.000 1.148 457 P CA 1.046 64.190 63.100 0.073 0.000 0.822 457 P CB 0.213 31.952 31.700 0.066 0.000 0.784 458 A N 0.464 123.333 122.820 0.082 0.000 2.325 458 A HA 0.452 4.816 4.320 0.073 0.000 0.333 458 A C 0.354 178.046 177.584 0.179 0.000 1.155 458 A CA -0.671 51.377 52.037 0.017 0.000 0.814 458 A CB 0.187 18.988 19.000 -0.331 0.000 1.206 458 A HN 0.265 nan 8.150 nan 0.000 0.482 459 N N -0.136 118.715 118.700 0.252 0.000 2.433 459 N HA 0.388 5.172 4.740 0.073 0.000 0.270 459 N C -0.915 174.790 175.510 0.325 0.000 1.354 459 N CA -0.361 52.916 53.050 0.378 0.000 0.889 459 N CB 0.362 39.016 38.487 0.277 0.000 1.285 459 N HN 0.690 nan 8.380 nan 0.000 0.503 460 Y N -1.153 119.072 120.300 -0.125 0.000 2.656 460 Y HA 0.668 5.262 4.550 0.072 0.000 0.334 460 Y C -1.700 173.601 175.900 -0.998 0.000 1.179 460 Y CA -1.341 56.475 58.100 -0.473 0.000 1.050 460 Y CB 0.992 39.333 38.460 -0.199 0.000 1.308 460 Y HN 0.085 nan 8.280 nan 0.000 0.456 461 E N 0.837 120.586 120.200 -0.751 0.000 2.343 461 E HA 0.630 5.023 4.350 0.073 0.000 0.278 461 E C -3.229 173.262 176.600 -0.181 0.000 0.910 461 E CA -1.932 54.103 56.400 -0.609 0.000 0.757 461 E CB 1.767 31.026 29.700 -0.736 0.000 1.218 461 E HN 0.592 nan 8.360 nan 0.000 0.435 462 P HA 0.305 nan 4.420 nan 0.000 0.278 462 P C -1.270 175.999 177.300 -0.052 0.000 1.238 462 P CA -0.463 62.572 63.100 -0.108 0.000 0.794 462 P CB 0.592 32.260 31.700 -0.053 0.000 0.955 463 N N -1.242 117.352 118.700 -0.176 0.000 2.262 463 N HA 0.353 5.137 4.740 0.073 0.000 0.295 463 N C 0.331 175.805 175.510 -0.059 0.000 1.161 463 N CA -0.772 52.191 53.050 -0.146 0.000 0.767 463 N CB 1.535 39.636 38.487 -0.643 0.000 1.499 463 N HN 0.198 nan 8.380 nan 0.000 0.476 464 S N 0.743 116.455 115.700 0.020 0.000 2.497 464 S HA -0.010 4.504 4.470 0.073 0.000 0.218 464 S C 1.584 176.203 174.600 0.031 0.000 1.023 464 S CA 0.002 58.212 58.200 0.016 0.000 0.913 464 S CB -0.791 62.427 63.200 0.030 0.000 0.800 464 S HN 0.722 nan 8.310 nan 0.000 0.505 465 I N -0.382 120.216 120.570 0.046 0.000 2.614 465 I HA 0.162 4.376 4.170 0.073 0.000 0.258 465 I C 1.303 177.454 176.117 0.057 0.000 1.189 465 I CA 1.475 62.811 61.300 0.060 0.000 1.462 465 I CB -0.351 37.705 38.000 0.093 0.000 1.092 465 I HN 0.216 nan 8.210 nan 0.000 0.442 466 N N 1.076 119.807 118.700 0.052 0.000 2.291 466 N HA 0.042 4.826 4.740 0.073 0.000 0.244 466 N C -0.101 175.519 175.510 0.183 0.000 1.216 466 N CA -0.060 53.060 53.050 0.117 0.000 0.879 466 N CB 0.022 38.588 38.487 0.132 0.000 1.167 466 N HN 0.241 nan 8.380 nan 0.000 0.515 467 D N 0.758 121.214 120.400 0.093 0.000 2.751 467 D HA -0.262 4.421 4.640 0.073 0.000 0.233 467 D C -0.168 176.025 176.300 -0.178 0.000 1.149 467 D CA 1.132 55.148 54.000 0.026 0.000 0.682 467 D CB -1.428 39.459 40.800 0.145 0.000 1.068 467 D HN 0.490 nan 8.370 nan 0.000 0.429 468 N N -1.654 116.972 118.700 -0.123 0.000 2.782 468 N HA -0.241 4.543 4.740 0.073 0.000 0.251 468 N C -0.857 174.576 175.510 -0.129 0.000 1.101 468 N CA 1.394 54.345 53.050 -0.166 0.000 0.764 468 N CB -1.272 37.066 38.487 -0.248 0.000 1.122 468 N HN 0.553 nan 8.380 nan 0.000 0.561 469 W N 0.792 122.143 121.300 0.085 0.000 2.375 469 W HA 0.461 5.164 4.660 0.073 0.000 0.336 469 W C -1.651 174.885 176.519 0.029 0.000 1.160 469 W CA -1.701 55.669 57.345 0.041 0.000 1.266 469 W CB 0.594 30.031 29.460 -0.039 0.000 1.195 469 W HN -0.046 nan 8.180 nan 0.000 0.599 470 P HA 0.167 nan 4.420 nan 0.000 0.275 470 P C -0.676 176.762 177.300 0.229 0.000 1.228 470 P CA -0.075 63.150 63.100 0.207 0.000 0.786 470 P CB 0.946 32.628 31.700 -0.031 0.000 0.927 471 R N 1.062 121.692 120.500 0.217 0.000 2.604 471 R HA 0.300 4.684 4.340 0.073 0.000 0.287 471 R C 0.327 176.663 176.300 0.060 0.000 0.970 471 R CA -0.817 55.283 56.100 -0.001 0.000 0.946 471 R CB 1.070 31.150 30.300 -0.367 0.000 1.127 471 R HN 0.497 nan 8.270 nan 0.000 0.473 472 E N 0.686 120.906 120.200 0.034 0.000 2.437 472 E HA -0.002 4.392 4.350 0.073 0.000 0.263 472 E C -0.588 176.036 176.600 0.039 0.000 1.030 472 E CA 0.799 57.229 56.400 0.050 0.000 0.934 472 E CB 0.657 30.374 29.700 0.029 0.000 0.943 472 E HN 0.353 nan 8.360 nan 0.000 0.444 473 T N 4.061 118.649 114.554 0.057 0.000 2.841 473 T HA 0.343 4.736 4.350 0.073 0.000 0.285 473 T C -2.430 172.295 174.700 0.042 0.000 0.991 473 T CA -1.574 60.557 62.100 0.052 0.000 0.966 473 T CB 1.498 70.408 68.868 0.071 0.000 0.962 473 T HN 0.237 nan 8.240 nan 0.000 0.438 474 P HA 0.216 nan 4.420 nan 0.000 0.269 474 P C -2.423 174.885 177.300 0.014 0.000 1.215 474 P CA -1.137 61.972 63.100 0.015 0.000 0.780 474 P CB -0.320 31.384 31.700 0.006 0.000 0.898 475 P HA 0.259 nan 4.420 nan 0.000 0.269 475 P C 0.015 177.306 177.300 -0.015 0.000 1.215 475 P CA 0.404 63.493 63.100 -0.018 0.000 0.780 475 P CB 0.596 32.264 31.700 -0.053 0.000 0.898 476 G N 0.694 109.485 108.800 -0.016 0.000 2.495 476 G HA2 0.377 4.380 3.960 0.073 0.000 0.294 476 G HA3 0.377 4.380 3.960 0.073 0.000 0.294 476 G C -2.663 172.228 174.900 -0.014 0.000 1.397 476 G CA -0.770 44.323 45.100 -0.012 0.000 0.790 476 G HN 0.080 nan 8.290 nan 0.000 0.486 477 P HA 0.071 nan 4.420 nan 0.000 0.218 477 P C 0.093 177.389 177.300 -0.007 0.000 1.149 477 P CA 1.239 64.331 63.100 -0.014 0.000 0.817 477 P CB 0.154 31.848 31.700 -0.010 0.000 0.785 478 K N -2.068 118.335 120.400 0.005 0.000 2.523 478 K HA 0.340 4.703 4.320 0.073 0.000 0.257 478 K C -0.413 176.203 176.600 0.026 0.000 0.932 478 K CA -0.824 55.472 56.287 0.016 0.000 0.812 478 K CB 1.653 34.162 32.500 0.016 0.000 1.326 478 K HN -0.317 nan 8.250 nan 0.000 0.433 479 R N -0.326 120.197 120.500 0.038 0.000 3.741 479 R HA -0.141 4.243 4.340 0.073 0.000 0.292 479 R C 0.184 176.514 176.300 0.049 0.000 1.176 479 R CA 1.310 57.439 56.100 0.048 0.000 0.794 479 R CB -2.274 28.054 30.300 0.046 0.000 1.213 479 R HN 1.027 nan 8.270 nan 0.000 0.494 480 G N -1.095 107.730 108.800 0.042 0.000 2.521 480 G HA2 0.635 4.638 3.960 0.073 0.000 0.323 480 G HA3 0.635 4.638 3.960 0.073 0.000 0.323 480 G C 0.283 175.218 174.900 0.059 0.000 1.211 480 G CA 0.032 45.156 45.100 0.040 0.000 0.979 480 G HN 0.253 nan 8.290 nan 0.000 0.490 481 G N -1.302 107.535 108.800 0.061 0.000 2.569 481 G HA2 0.404 4.408 3.960 0.073 0.000 0.249 481 G HA3 0.404 4.408 3.960 0.073 0.000 0.249 481 G C -0.604 174.360 174.900 0.106 0.000 1.216 481 G CA -0.500 44.658 45.100 0.096 0.000 0.845 481 G HN 0.493 nan 8.290 nan 0.000 0.568 482 F N 0.508 120.469 119.950 0.017 0.000 2.443 482 F HA 0.447 5.019 4.527 0.074 0.000 0.353 482 F C 0.447 176.258 175.800 0.017 0.000 1.101 482 F CA -0.317 57.688 58.000 0.008 0.000 1.226 482 F CB 0.946 39.949 39.000 0.005 0.000 1.140 482 F HN 0.455 nan 8.300 nan 0.000 0.557 483 E N 4.388 124.215 120.200 -0.622 0.000 2.278 483 E HA 0.258 4.652 4.350 0.073 0.000 0.272 483 E C -1.309 174.897 176.600 -0.658 0.000 0.890 483 E CA -0.741 55.434 56.400 -0.375 0.000 0.770 483 E CB 1.719 31.312 29.700 -0.180 0.000 1.212 483 E HN 0.646 nan 8.360 nan 0.000 0.415 484 S N 2.502 118.034 115.700 -0.279 0.000 2.572 484 S HA 0.009 4.523 4.470 0.073 0.000 0.279 484 S C -0.555 173.999 174.600 -0.077 0.000 1.341 484 S CA -0.313 57.813 58.200 -0.125 0.000 1.043 484 S CB 0.109 63.400 63.200 0.153 0.000 0.887 484 S HN 0.464 nan 8.310 nan 0.000 0.516 485 Y N 2.572 122.789 120.300 -0.139 0.000 2.620 485 Y HA -0.000 4.593 4.550 0.073 0.000 0.330 485 Y C 0.905 176.778 175.900 -0.044 0.000 1.186 485 Y CA 0.155 58.193 58.100 -0.104 0.000 1.467 485 Y CB 0.190 38.593 38.460 -0.095 0.000 1.262 485 Y HN 0.576 nan 8.280 nan 0.000 0.550 486 Q N 5.437 124.894 119.800 -0.572 0.000 3.254 486 Q HA -0.005 4.379 4.340 0.073 0.000 0.315 486 Q C -0.137 175.574 176.000 -0.481 0.000 1.405 486 Q CA -0.018 55.539 55.803 -0.409 0.000 0.966 486 Q CB -0.240 28.319 28.738 -0.298 0.000 1.706 486 Q HN 0.668 nan 8.270 nan 0.000 0.525 487 E N 1.603 121.599 120.200 -0.341 0.000 2.413 487 E HA -0.017 4.377 4.350 0.073 0.000 0.263 487 E C -0.068 176.497 176.600 -0.058 0.000 1.015 487 E CA -0.563 55.761 56.400 -0.127 0.000 0.916 487 E CB 0.651 30.421 29.700 0.117 0.000 0.947 487 E HN 0.149 nan 8.360 nan 0.000 0.440 488 R N 3.232 123.722 120.500 -0.017 0.000 2.347 488 R HA 0.195 4.579 4.340 0.073 0.000 0.304 488 R C -1.640 174.684 176.300 0.040 0.000 1.072 488 R CA -0.210 55.894 56.100 0.006 0.000 0.980 488 R CB 0.673 30.987 30.300 0.023 0.000 0.986 488 R HN 0.247 nan 8.270 nan 0.000 0.448 489 V N 4.719 124.648 119.914 0.026 0.000 2.555 489 V HA 0.523 4.687 4.120 0.073 0.000 0.302 489 V C -0.409 175.699 176.094 0.023 0.000 1.038 489 V CA -0.642 61.678 62.300 0.033 0.000 0.887 489 V CB 1.539 33.378 31.823 0.027 0.000 0.991 489 V HN 0.902 nan 8.190 nan 0.000 0.434 490 E N 2.283 122.498 120.200 0.026 0.000 2.397 490 E HA 0.601 4.995 4.350 0.073 0.000 0.293 490 E C -0.537 176.068 176.600 0.010 0.000 0.930 490 E CA -0.033 56.375 56.400 0.014 0.000 0.793 490 E CB 2.068 31.777 29.700 0.015 0.000 1.259 490 E HN 1.043 nan 8.360 nan 0.000 0.406 491 G N 2.636 111.437 108.800 0.001 0.000 2.337 491 G HA2 0.059 4.063 3.960 0.073 0.000 0.298 491 G HA3 0.059 4.063 3.960 0.073 0.000 0.298 491 G C -1.496 173.398 174.900 -0.009 0.000 1.335 491 G CA -0.965 44.132 45.100 -0.005 0.000 0.875 491 G HN 0.399 nan 8.290 nan 0.000 0.579 492 N N 0.088 118.779 118.700 -0.015 0.000 2.476 492 N HA 0.384 5.168 4.740 0.073 0.000 0.275 492 N C -0.172 175.325 175.510 -0.021 0.000 1.190 492 N CA -0.342 52.698 53.050 -0.017 0.000 0.977 492 N CB 0.961 39.437 38.487 -0.018 0.000 1.200 492 N HN 0.488 nan 8.380 nan 0.000 0.515 493 K N 0.962 121.350 120.400 -0.021 0.000 2.294 493 K HA 0.198 4.562 4.320 0.073 0.000 0.288 493 K C -0.381 176.199 176.600 -0.033 0.000 1.072 493 K CA -0.193 56.079 56.287 -0.026 0.000 0.960 493 K CB -0.117 32.369 32.500 -0.023 0.000 1.043 493 K HN 0.345 nan 8.250 nan 0.000 0.455 494 V N 0.249 120.138 119.914 -0.041 0.000 2.962 494 V HA 0.496 4.660 4.120 0.073 0.000 0.313 494 V C -0.441 175.614 176.094 -0.065 0.000 1.099 494 V CA -1.360 60.910 62.300 -0.049 0.000 0.971 494 V CB 2.041 33.835 31.823 -0.048 0.000 1.028 494 V HN 0.608 nan 8.190 nan 0.000 0.430 495 R N 2.347 122.803 120.500 -0.073 0.000 2.522 495 R HA 0.581 4.965 4.340 0.073 0.000 0.290 495 R C -0.459 175.790 176.300 -0.086 0.000 1.216 495 R CA -0.148 55.895 56.100 -0.096 0.000 1.250 495 R CB 0.756 30.984 30.300 -0.120 0.000 1.143 495 R HN 0.945 nan 8.270 nan 0.000 0.553 496 E N 1.929 122.076 120.200 -0.089 0.000 2.343 496 E HA 0.263 4.656 4.350 0.073 0.000 0.278 496 E C -1.284 175.246 176.600 -0.117 0.000 0.910 496 E CA -1.052 55.297 56.400 -0.085 0.000 0.757 496 E CB 1.764 31.422 29.700 -0.069 0.000 1.218 496 E HN 0.116 nan 8.360 nan 0.000 0.435 497 R N 1.538 121.972 120.500 -0.109 0.000 2.390 497 R HA 0.233 4.617 4.340 0.073 0.000 0.291 497 R C -0.591 175.591 176.300 -0.197 0.000 1.070 497 R CA 0.024 56.023 56.100 -0.169 0.000 1.014 497 R CB 1.259 31.515 30.300 -0.073 0.000 1.007 497 R HN 0.392 nan 8.270 nan 0.000 0.466 498 S N 5.082 120.550 115.700 -0.385 0.000 2.537 498 S HA 0.103 4.616 4.470 0.073 0.000 0.286 498 S C -1.546 173.017 174.600 -0.063 0.000 1.299 498 S CA -1.231 56.818 58.200 -0.251 0.000 1.067 498 S CB 0.652 63.614 63.200 -0.396 0.000 0.864 498 S HN 0.534 nan 8.310 nan 0.000 0.494 499 P HA -0.129 nan 4.420 nan 0.000 0.216 499 P C 1.623 178.971 177.300 0.081 0.000 1.150 499 P CA 1.356 64.475 63.100 0.032 0.000 0.843 499 P CB -0.139 31.570 31.700 0.015 0.000 0.787 500 S N -1.798 113.987 115.700 0.142 0.000 2.440 500 S HA -0.161 4.353 4.470 0.073 0.000 0.238 500 S C 1.543 176.303 174.600 0.267 0.000 1.010 500 S CA 1.091 59.410 58.200 0.199 0.000 0.972 500 S CB -1.504 61.852 63.200 0.260 0.000 0.774 500 S HN -0.020 nan 8.310 nan 0.000 0.501 501 F N 2.266 122.205 119.950 -0.019 0.000 2.743 501 F HA 0.368 4.939 4.527 0.073 0.000 0.297 501 F C 2.024 177.746 175.800 -0.129 0.000 1.131 501 F CA -0.734 57.246 58.000 -0.033 0.000 1.426 501 F CB -0.833 38.180 39.000 0.022 0.000 1.116 501 F HN 0.343 nan 8.300 nan 0.000 0.583 502 G N 0.757 109.557 108.800 0.000 0.000 3.353 502 G HA2 0.097 4.101 3.960 0.073 0.000 0.247 502 G HA3 0.097 4.101 3.960 0.073 0.000 0.247 502 G C -0.063 174.434 174.900 -0.673 0.000 1.025 502 G CA 0.150 45.071 45.100 -0.298 0.000 1.863 502 G HN 0.053 nan 8.290 nan 0.000 0.635 503 E N 0.284 119.980 120.200 -0.840 0.000 2.274 503 E HA 0.291 4.685 4.350 0.073 0.000 0.269 503 E C -0.958 175.208 176.600 -0.723 0.000 0.891 503 E CA -0.780 55.227 56.400 -0.656 0.000 0.784 503 E CB 1.412 30.968 29.700 -0.240 0.000 1.225 503 E HN 0.233 nan 8.360 nan 0.000 0.412 504 Y N 2.716 122.826 120.300 -0.318 0.000 2.471 504 Y HA 0.209 4.803 4.550 0.073 0.000 0.249 504 Y C 0.657 176.281 175.900 -0.460 0.000 1.116 504 Y CA -0.107 57.710 58.100 -0.471 0.000 1.240 504 Y CB 0.458 38.469 38.460 -0.748 0.000 1.251 504 Y HN 0.419 nan 8.280 nan 0.000 0.527 505 Y N -1.373 119.018 120.300 0.151 0.000 2.430 505 Y HA 0.106 4.700 4.550 0.073 0.000 0.248 505 Y C 2.346 178.311 175.900 0.108 0.000 1.108 505 Y CA 0.125 58.307 58.100 0.137 0.000 1.264 505 Y CB -0.125 38.422 38.460 0.145 0.000 1.172 505 Y HN 0.076 nan 8.280 nan 0.000 0.520 506 S N -0.985 114.847 115.700 0.221 0.000 2.406 506 S HA -0.160 4.354 4.470 0.073 0.000 0.228 506 S C 1.451 176.141 174.600 0.151 0.000 1.020 506 S CA 1.309 59.626 58.200 0.196 0.000 0.965 506 S CB -0.476 62.843 63.200 0.199 0.000 0.798 506 S HN 0.403 nan 8.310 nan 0.000 0.488 507 H N 2.937 121.921 119.070 -0.143 0.000 2.357 507 H HA 0.178 4.778 4.556 0.073 0.000 0.301 507 H C -0.701 174.410 175.328 -0.362 0.000 1.082 507 H CA 1.404 57.206 56.048 -0.409 0.000 1.342 507 H CB -1.686 27.588 29.762 -0.812 0.000 1.389 507 H HN 0.390 nan 8.280 nan 0.000 0.511 508 P HA -0.171 nan 4.420 nan 0.000 0.216 508 P C 1.507 178.998 177.300 0.317 0.000 1.153 508 P CA 1.671 64.926 63.100 0.258 0.000 0.858 508 P CB 0.093 31.969 31.700 0.294 0.000 0.789 509 R N -0.531 120.104 120.500 0.224 0.000 2.075 509 R HA -0.121 4.263 4.340 0.073 0.000 0.232 509 R C 2.211 178.640 176.300 0.215 0.000 1.126 509 R CA 1.087 57.324 56.100 0.229 0.000 0.963 509 R CB -1.040 29.357 30.300 0.160 0.000 0.858 509 R HN 0.064 nan 8.270 nan 0.000 0.435 510 L N 0.433 121.725 121.223 0.114 0.000 2.012 510 L HA -0.167 4.217 4.340 0.073 0.000 0.210 510 L C 2.017 178.938 176.870 0.085 0.000 1.073 510 L CA 1.799 56.666 54.840 0.045 0.000 0.748 510 L CB -0.721 41.290 42.059 -0.080 0.000 0.891 510 L HN 0.219 nan 8.230 nan 0.000 0.431 511 F N -0.704 119.275 119.950 0.048 0.000 2.069 511 F HA -0.315 4.256 4.527 0.073 0.000 0.298 511 F C 2.345 178.151 175.800 0.010 0.000 1.113 511 F CA 2.317 60.331 58.000 0.023 0.000 1.214 511 F CB -0.662 38.399 39.000 0.102 0.000 0.978 511 F HN 0.387 nan 8.300 nan 0.000 0.474 512 W N 1.390 122.644 121.300 -0.077 0.000 2.318 512 W HA -0.270 4.433 4.660 0.073 0.000 0.313 512 W C 1.867 178.248 176.519 -0.229 0.000 1.221 512 W CA 1.996 59.249 57.345 -0.152 0.000 1.266 512 W CB -0.730 28.745 29.460 0.025 0.000 1.150 512 W HN 0.105 nan 8.180 nan 0.000 0.496 513 L N 0.991 122.121 121.223 -0.156 0.000 2.275 513 L HA -0.171 4.213 4.340 0.073 0.000 0.215 513 L C 2.361 179.034 176.870 -0.328 0.000 1.119 513 L CA 1.186 55.874 54.840 -0.253 0.000 0.790 513 L CB -0.775 41.258 42.059 -0.042 0.000 0.919 513 L HN -0.142 nan 8.230 nan 0.000 0.443 514 S N -1.404 114.085 115.700 -0.351 0.000 2.562 514 S HA 0.029 4.543 4.470 0.073 0.000 0.221 514 S C 0.741 175.054 174.600 -0.478 0.000 0.975 514 S CA 0.173 58.164 58.200 -0.348 0.000 0.918 514 S CB -0.033 62.997 63.200 -0.283 0.000 0.772 514 S HN 0.314 nan 8.310 nan 0.000 0.531 515 Q N 2.278 121.685 119.800 -0.654 0.000 2.306 515 Q HA 0.265 4.649 4.340 0.073 0.000 0.241 515 Q C 0.648 176.258 176.000 -0.650 0.000 0.948 515 Q CA -0.091 55.293 55.803 -0.698 0.000 0.886 515 Q CB 0.363 28.613 28.738 -0.815 0.000 1.227 515 Q HN 0.431 nan 8.270 nan 0.000 0.457 516 T N -1.645 112.485 114.554 -0.706 0.000 2.748 516 T HA 0.126 4.520 4.350 0.073 0.000 0.304 516 T C -1.739 172.502 174.700 -0.766 0.000 1.041 516 T CA -1.233 60.410 62.100 -0.761 0.000 1.033 516 T CB 0.275 68.431 68.868 -1.187 0.000 0.995 516 T HN 0.239 nan 8.240 nan 0.000 0.536 517 P HA -0.004 nan 4.420 nan 0.000 0.217 517 P C 1.366 178.455 177.300 -0.351 0.000 1.150 517 P CA 0.985 63.859 63.100 -0.376 0.000 0.832 517 P CB -0.245 31.348 31.700 -0.180 0.000 0.787 518 F N -0.326 119.430 119.950 -0.324 0.000 2.293 518 F HA 0.094 4.665 4.527 0.073 0.000 0.297 518 F C 1.844 177.269 175.800 -0.625 0.000 1.089 518 F CA 0.741 58.485 58.000 -0.427 0.000 1.377 518 F CB -1.412 37.350 39.000 -0.397 0.000 1.051 518 F HN -0.129 nan 8.300 nan 0.000 0.511 519 E N 0.593 120.240 120.200 -0.922 0.000 2.106 519 E HA -0.195 4.198 4.350 0.073 0.000 0.192 519 E C 2.209 178.607 176.600 -0.336 0.000 0.984 519 E CA 1.382 57.451 56.400 -0.550 0.000 0.806 519 E CB -0.218 29.114 29.700 -0.613 0.000 0.750 519 E HN 0.626 nan 8.360 nan 0.000 0.458 520 Q N 0.174 119.696 119.800 -0.462 0.000 2.119 520 Q HA -0.189 4.195 4.340 0.073 0.000 0.201 520 Q C 2.219 178.235 176.000 0.027 0.000 0.972 520 Q CA 1.200 56.764 55.803 -0.399 0.000 0.847 520 Q CB -0.132 28.092 28.738 -0.856 0.000 0.903 520 Q HN 0.006 nan 8.270 nan 0.000 0.433 521 R N 0.588 121.067 120.500 -0.035 0.000 2.081 521 R HA -0.157 4.227 4.340 0.073 0.000 0.235 521 R C 1.598 178.049 176.300 0.252 0.000 1.131 521 R CA 1.917 58.084 56.100 0.111 0.000 0.960 521 R CB -0.456 29.880 30.300 0.060 0.000 0.856 521 R HN 0.465 nan 8.270 nan 0.000 0.436 522 H N -0.746 118.424 119.070 0.167 0.000 2.423 522 H HA -0.007 4.593 4.556 0.073 0.000 0.297 522 H C 2.002 177.451 175.328 0.201 0.000 1.075 522 H CA 1.204 57.365 56.048 0.189 0.000 1.342 522 H CB -0.009 29.874 29.762 0.202 0.000 1.395 522 H HN 0.179 nan 8.280 nan 0.000 0.530 523 I N 0.199 120.986 120.570 0.360 0.000 2.142 523 I HA -0.260 3.954 4.170 0.073 0.000 0.240 523 I C 2.289 178.698 176.117 0.488 0.000 1.078 523 I CA 0.841 62.395 61.300 0.423 0.000 1.343 523 I CB -0.206 38.145 38.000 0.586 0.000 1.046 523 I HN 0.079 nan 8.210 nan 0.000 0.405 524 V N 0.959 121.150 119.914 0.463 0.000 2.282 524 V HA -0.331 3.832 4.120 0.073 0.000 0.249 524 V C 2.078 178.349 176.094 0.296 0.000 1.057 524 V CA 2.155 64.673 62.300 0.363 0.000 1.032 524 V CB -0.734 31.259 31.823 0.284 0.000 0.645 524 V HN 0.431 nan 8.190 nan 0.000 0.447 525 D N 0.459 121.018 120.400 0.265 0.000 2.144 525 D HA -0.110 4.574 4.640 0.073 0.000 0.199 525 D C 2.176 178.560 176.300 0.139 0.000 0.984 525 D CA 1.604 55.728 54.000 0.208 0.000 0.834 525 D CB -0.583 40.350 40.800 0.221 0.000 0.955 525 D HN 0.495 nan 8.370 nan 0.000 0.465 526 G N 0.077 108.940 108.800 0.104 0.000 2.414 526 G HA2 -0.238 3.766 3.960 0.073 0.000 0.215 526 G HA3 -0.238 3.766 3.960 0.073 0.000 0.215 526 G C 1.469 176.369 174.900 0.000 0.000 1.188 526 G CA 0.165 45.229 45.100 -0.061 0.000 0.783 526 G HN 0.155 nan 8.290 nan 0.000 0.537 527 F N 1.866 121.861 119.950 0.075 0.000 2.095 527 F HA -0.083 4.488 4.527 0.073 0.000 0.298 527 F C 3.169 178.895 175.800 -0.123 0.000 1.104 527 F CA 1.667 59.650 58.000 -0.029 0.000 1.232 527 F CB -0.358 38.634 39.000 -0.013 0.000 0.987 527 F HN 0.088 nan 8.300 nan 0.000 0.475 528 S N -0.253 115.544 115.700 0.162 0.000 2.368 528 S HA -0.194 4.320 4.470 0.073 0.000 0.224 528 S C 1.858 176.480 174.600 0.037 0.000 1.029 528 S CA 1.191 59.433 58.200 0.070 0.000 0.988 528 S CB -0.757 62.508 63.200 0.108 0.000 0.838 528 S HN 0.402 nan 8.310 nan 0.000 0.462 529 F N 2.586 122.500 119.950 -0.059 0.000 2.084 529 F HA -0.075 4.495 4.527 0.072 0.000 0.296 529 F C 2.309 178.049 175.800 -0.100 0.000 1.111 529 F CA 1.459 59.415 58.000 -0.073 0.000 1.224 529 F CB -0.329 38.578 39.000 -0.154 0.000 0.991 529 F HN 0.122 nan 8.300 nan 0.000 0.471 530 E N 0.152 120.340 120.200 -0.019 0.000 2.077 530 E HA -0.203 4.190 4.350 0.073 0.000 0.193 530 E C 2.149 178.546 176.600 -0.338 0.000 0.989 530 E CA 1.181 57.523 56.400 -0.098 0.000 0.800 530 E CB -0.390 29.425 29.700 0.192 0.000 0.746 530 E HN 0.324 nan 8.360 nan 0.000 0.452 531 L N 1.039 121.990 121.223 -0.454 0.000 2.141 531 L HA -0.085 4.299 4.340 0.073 0.000 0.209 531 L C 2.347 179.055 176.870 -0.270 0.000 1.094 531 L CA 1.272 55.836 54.840 -0.461 0.000 0.763 531 L CB -0.996 40.817 42.059 -0.411 0.000 0.908 531 L HN -0.032 nan 8.230 nan 0.000 0.437 532 S N -0.380 115.177 115.700 -0.238 0.000 2.387 532 S HA -0.169 4.345 4.470 0.073 0.000 0.230 532 S C 1.707 176.192 174.600 -0.191 0.000 1.035 532 S CA 1.149 59.232 58.200 -0.195 0.000 1.014 532 S CB -0.095 62.977 63.200 -0.213 0.000 0.836 532 S HN 0.357 nan 8.310 nan 0.000 0.466 533 K N 1.110 121.367 120.400 -0.237 0.000 2.487 533 K HA 0.202 4.566 4.320 0.073 0.000 0.192 533 K C 0.043 176.630 176.600 -0.022 0.000 1.027 533 K CA 0.065 56.275 56.287 -0.129 0.000 1.054 533 K CB -0.325 32.089 32.500 -0.143 0.000 0.824 533 K HN 0.215 nan 8.250 nan 0.000 0.510 534 V N 2.155 122.032 119.914 -0.061 0.000 2.455 534 V HA -0.006 4.158 4.120 0.073 0.000 0.273 534 V C 1.773 177.848 176.094 -0.031 0.000 1.045 534 V CA -0.116 62.176 62.300 -0.014 0.000 0.976 534 V CB 1.326 33.105 31.823 -0.073 0.000 0.993 534 V HN -0.126 nan 8.190 nan 0.000 0.475 535 V N 5.107 125.025 119.914 0.007 0.000 2.427 535 V HA -0.068 4.096 4.120 0.073 0.000 0.248 535 V C 1.294 177.368 176.094 -0.034 0.000 1.051 535 V CA 1.342 63.641 62.300 -0.001 0.000 1.048 535 V CB -0.522 31.320 31.823 0.030 0.000 0.666 535 V HN 0.769 nan 8.190 nan 0.000 0.456 536 R N 0.889 121.337 120.500 -0.086 0.000 2.220 536 R HA 0.205 4.589 4.340 0.073 0.000 0.340 536 R C -1.740 174.426 176.300 -0.222 0.000 1.076 536 R CA -1.509 54.503 56.100 -0.148 0.000 0.920 536 R CB 0.602 30.735 30.300 -0.279 0.000 1.062 536 R HN 0.236 nan 8.270 nan 0.000 0.469 537 P HA -0.216 nan 4.420 nan 0.000 0.218 537 P C 0.740 178.016 177.300 -0.039 0.000 1.148 537 P CA 1.191 64.262 63.100 -0.049 0.000 0.822 537 P CB -0.016 31.690 31.700 0.010 0.000 0.784 538 Y N -1.246 119.052 120.300 -0.003 0.000 2.274 538 Y HA -0.093 4.501 4.550 0.073 0.000 0.290 538 Y C 1.968 177.871 175.900 0.005 0.000 1.145 538 Y CA 0.784 58.884 58.100 -0.001 0.000 1.203 538 Y CB -1.796 36.664 38.460 0.001 0.000 0.984 538 Y HN -0.115 nan 8.280 nan 0.000 0.533 539 I N 0.845 121.077 120.570 -0.564 0.000 2.252 539 I HA -0.230 3.984 4.170 0.073 0.000 0.245 539 I C 2.508 178.553 176.117 -0.121 0.000 1.102 539 I CA 1.343 62.451 61.300 -0.320 0.000 1.385 539 I CB -0.384 37.392 38.000 -0.374 0.000 1.064 539 I HN 0.181 nan 8.210 nan 0.000 0.414 540 R N 0.834 121.248 120.500 -0.144 0.000 2.081 540 R HA -0.178 4.206 4.340 0.073 0.000 0.235 540 R C 2.144 178.401 176.300 -0.073 0.000 1.131 540 R CA 1.493 57.517 56.100 -0.127 0.000 0.960 540 R CB -0.410 29.811 30.300 -0.131 0.000 0.856 540 R HN 0.443 nan 8.270 nan 0.000 0.436 541 E N 0.526 120.706 120.200 -0.033 0.000 2.051 541 E HA -0.174 4.220 4.350 0.073 0.000 0.192 541 E C 2.144 178.753 176.600 0.015 0.000 0.991 541 E CA 1.127 57.527 56.400 -0.001 0.000 0.799 541 E CB -0.048 29.673 29.700 0.036 0.000 0.748 541 E HN 0.272 nan 8.360 nan 0.000 0.449 542 R N 0.353 120.880 120.500 0.045 0.000 2.096 542 R HA -0.119 4.265 4.340 0.073 0.000 0.235 542 R C 2.406 178.731 176.300 0.041 0.000 1.127 542 R CA 1.159 57.293 56.100 0.057 0.000 0.968 542 R CB -0.312 30.042 30.300 0.091 0.000 0.861 542 R HN 0.074 nan 8.270 nan 0.000 0.440 543 V N 0.278 120.212 119.914 0.033 0.000 2.358 543 V HA -0.187 3.977 4.120 0.073 0.000 0.246 543 V C 2.294 178.372 176.094 -0.027 0.000 1.047 543 V CA 1.435 63.764 62.300 0.049 0.000 1.035 543 V CB -0.284 31.587 31.823 0.079 0.000 0.658 543 V HN 0.121 nan 8.190 nan 0.000 0.452 544 V N 0.569 120.444 119.914 -0.065 0.000 2.407 544 V HA -0.314 3.850 4.120 0.073 0.000 0.248 544 V C 2.307 178.364 176.094 -0.061 0.000 1.055 544 V CA 2.478 64.718 62.300 -0.101 0.000 1.049 544 V CB -0.650 31.118 31.823 -0.092 0.000 0.662 544 V HN 0.663 nan 8.190 nan 0.000 0.455 545 D N -0.803 119.593 120.400 -0.006 0.000 2.123 545 D HA -0.200 4.484 4.640 0.073 0.000 0.196 545 D C 2.271 178.651 176.300 0.133 0.000 0.992 545 D CA 1.174 55.203 54.000 0.050 0.000 0.833 545 D CB -0.016 40.828 40.800 0.073 0.000 0.954 545 D HN 0.340 nan 8.370 nan 0.000 0.455 546 Q N -0.219 119.623 119.800 0.070 0.000 2.124 546 Q HA -0.087 4.297 4.340 0.073 0.000 0.202 546 Q C 2.544 178.575 176.000 0.051 0.000 0.977 546 Q CA 0.628 56.470 55.803 0.064 0.000 0.850 546 Q CB -0.213 28.584 28.738 0.098 0.000 0.901 546 Q HN 0.464 nan 8.270 nan 0.000 0.429 547 L N 0.051 121.242 121.223 -0.053 0.000 2.093 547 L HA -0.113 4.271 4.340 0.073 0.000 0.208 547 L C 2.300 179.066 176.870 -0.174 0.000 1.085 547 L CA 0.942 55.673 54.840 -0.182 0.000 0.755 547 L CB -0.609 41.234 42.059 -0.361 0.000 0.904 547 L HN 0.094 nan 8.230 nan 0.000 0.435 548 A N -0.966 121.778 122.820 -0.127 0.000 2.172 548 A HA -0.193 4.171 4.320 0.073 0.000 0.216 548 A C 1.674 179.105 177.584 -0.255 0.000 1.154 548 A CA 1.165 53.096 52.037 -0.178 0.000 0.701 548 A CB -0.722 18.182 19.000 -0.161 0.000 0.789 548 A HN 0.445 nan 8.150 nan 0.000 0.465 549 H N -1.295 117.572 119.070 -0.338 0.000 2.551 549 H HA 0.281 4.881 4.556 0.073 0.000 0.266 549 H C 1.619 176.693 175.328 -0.423 0.000 0.964 549 H CA 0.895 56.618 56.048 -0.542 0.000 1.180 549 H CB 0.143 29.159 29.762 -1.243 0.000 1.408 549 H HN 0.487 nan 8.280 nan 0.000 0.563 550 I N -1.110 119.380 120.570 -0.133 0.000 2.685 550 I HA 0.078 4.292 4.170 0.073 0.000 0.251 550 I C -0.186 175.866 176.117 -0.107 0.000 1.102 550 I CA 0.480 61.763 61.300 -0.029 0.000 1.442 550 I CB 0.640 38.646 38.000 0.010 0.000 1.194 550 I HN 0.109 nan 8.210 nan 0.000 0.448 551 D N -0.357 119.907 120.400 -0.227 0.000 2.871 551 D HA 0.131 4.814 4.640 0.073 0.000 0.209 551 D C 0.230 176.375 176.300 -0.259 0.000 1.292 551 D CA -0.377 53.471 54.000 -0.253 0.000 0.869 551 D CB 1.428 41.940 40.800 -0.479 0.000 1.663 551 D HN -0.099 nan 8.370 nan 0.000 0.557 552 L N 3.052 124.180 121.223 -0.157 0.000 2.093 552 L HA -0.048 4.335 4.340 0.073 0.000 0.208 552 L C 1.253 178.053 176.870 -0.116 0.000 1.085 552 L CA 1.997 56.758 54.840 -0.132 0.000 0.755 552 L CB -0.768 41.239 42.059 -0.086 0.000 0.904 552 L HN 0.595 nan 8.230 nan 0.000 0.435 553 T N 0.866 115.377 114.554 -0.071 0.000 2.737 553 T HA -0.193 4.200 4.350 0.073 0.000 0.265 553 T C 1.860 176.523 174.700 -0.062 0.000 1.038 553 T CA 1.613 63.714 62.100 0.003 0.000 1.144 553 T CB -0.313 68.643 68.868 0.146 0.000 0.866 553 T HN 0.327 nan 8.240 nan 0.000 0.434 554 L N 1.582 122.629 121.223 -0.293 0.000 2.017 554 L HA 0.085 4.469 4.340 0.073 0.000 0.208 554 L C 2.579 179.238 176.870 -0.352 0.000 1.073 554 L CA 2.007 56.521 54.840 -0.544 0.000 0.745 554 L CB -1.059 40.196 42.059 -1.341 0.000 0.894 554 L HN 0.199 nan 8.230 nan 0.000 0.432 555 A N -0.965 121.663 122.820 -0.320 0.000 1.877 555 A HA -0.238 4.126 4.320 0.073 0.000 0.216 555 A C 2.211 179.703 177.584 -0.154 0.000 1.186 555 A CA 1.839 53.731 52.037 -0.242 0.000 0.620 555 A CB -0.660 18.216 19.000 -0.206 0.000 0.822 555 A HN 0.683 nan 8.150 nan 0.000 0.443 556 Q N -0.731 119.001 119.800 -0.113 0.000 2.084 556 Q HA -0.144 4.240 4.340 0.073 0.000 0.202 556 Q C 2.481 178.457 176.000 -0.040 0.000 0.978 556 Q CA 1.382 57.147 55.803 -0.064 0.000 0.844 556 Q CB -0.392 28.321 28.738 -0.040 0.000 0.898 556 Q HN 0.687 nan 8.270 nan 0.000 0.426 557 A N 0.539 123.342 122.820 -0.028 0.000 1.877 557 A HA -0.147 4.217 4.320 0.073 0.000 0.216 557 A C 2.372 179.961 177.584 0.007 0.000 1.186 557 A CA 1.514 53.561 52.037 0.016 0.000 0.620 557 A CB -0.761 18.279 19.000 0.066 0.000 0.822 557 A HN 0.205 nan 8.150 nan 0.000 0.443 558 V N -0.046 119.847 119.914 -0.035 0.000 2.295 558 V HA -0.251 3.913 4.120 0.073 0.000 0.246 558 V C 3.075 179.142 176.094 -0.046 0.000 1.049 558 V CA 1.941 64.218 62.300 -0.040 0.000 1.024 558 V CB -1.440 30.308 31.823 -0.126 0.000 0.648 558 V HN 0.630 nan 8.190 nan 0.000 0.447 559 A N 0.064 122.844 122.820 -0.066 0.000 1.873 559 A HA -0.357 4.007 4.320 0.073 0.000 0.218 559 A C 2.339 179.907 177.584 -0.027 0.000 1.193 559 A CA 2.643 54.648 52.037 -0.053 0.000 0.629 559 A CB -0.639 18.327 19.000 -0.056 0.000 0.826 559 A HN 0.551 nan 8.150 nan 0.000 0.447 560 K N -0.629 119.762 120.400 -0.014 0.000 2.103 560 K HA -0.200 4.163 4.320 0.073 0.000 0.207 560 K C 1.545 178.152 176.600 0.012 0.000 1.048 560 K CA 1.707 57.996 56.287 0.002 0.000 0.930 560 K CB -0.196 32.312 32.500 0.012 0.000 0.716 560 K HN 0.462 nan 8.250 nan 0.000 0.444 561 N N 0.483 119.194 118.700 0.018 0.000 2.396 561 N HA -0.082 4.701 4.740 0.073 0.000 0.180 561 N C 1.194 176.710 175.510 0.011 0.000 1.028 561 N CA 0.840 53.908 53.050 0.029 0.000 0.893 561 N CB 0.119 38.637 38.487 0.051 0.000 0.967 561 N HN 0.268 nan 8.380 nan 0.000 0.440 562 L N -0.805 120.412 121.223 -0.010 0.000 2.640 562 L HA 0.259 4.643 4.340 0.073 0.000 0.230 562 L C 0.898 177.757 176.870 -0.019 0.000 1.123 562 L CA -0.079 54.746 54.840 -0.026 0.000 0.900 562 L CB -0.058 41.971 42.059 -0.051 0.000 1.146 562 L HN 0.081 nan 8.230 nan 0.000 0.484 563 G N 1.555 110.350 108.800 -0.009 0.000 2.221 563 G HA2 -0.286 3.718 3.960 0.073 0.000 0.265 563 G HA3 -0.286 3.718 3.960 0.073 0.000 0.265 563 G C 0.025 174.918 174.900 -0.011 0.000 1.041 563 G CA 0.106 45.203 45.100 -0.006 0.000 0.807 563 G HN 0.323 nan 8.290 nan 0.000 0.502 564 I N -0.125 120.434 120.570 -0.018 0.000 2.460 564 I HA 0.423 4.636 4.170 0.073 0.000 0.298 564 I C 0.307 176.412 176.117 -0.020 0.000 0.989 564 I CA -0.684 60.604 61.300 -0.021 0.000 1.173 564 I CB 1.632 39.614 38.000 -0.030 0.000 1.338 564 I HN 0.049 nan 8.210 nan 0.000 0.456 565 E N 5.922 126.112 120.200 -0.018 0.000 2.145 565 E HA 0.426 4.819 4.350 0.073 0.000 0.270 565 E C -1.004 175.581 176.600 -0.024 0.000 0.906 565 E CA -0.671 55.718 56.400 -0.018 0.000 0.761 565 E CB 1.816 31.509 29.700 -0.012 0.000 1.116 565 E HN 0.411 nan 8.360 nan 0.000 0.408 566 L N 2.716 123.920 121.223 -0.031 0.000 2.461 566 L HA 0.120 4.503 4.340 0.073 0.000 0.272 566 L C 1.180 178.030 176.870 -0.033 0.000 1.197 566 L CA -0.076 54.741 54.840 -0.039 0.000 0.836 566 L CB 0.211 42.239 42.059 -0.052 0.000 1.105 566 L HN 0.618 nan 8.230 nan 0.000 0.477 567 T N -2.299 112.235 114.554 -0.033 0.000 2.816 567 T HA 0.094 4.487 4.350 0.073 0.000 0.282 567 T C 0.653 175.331 174.700 -0.037 0.000 0.993 567 T CA -0.601 61.481 62.100 -0.029 0.000 0.994 567 T CB 1.144 69.998 68.868 -0.024 0.000 1.025 567 T HN 0.585 nan 8.240 nan 0.000 0.529 568 D N 0.213 120.594 120.400 -0.031 0.000 2.117 568 D HA -0.073 4.610 4.640 0.073 0.000 0.197 568 D C 1.540 177.814 176.300 -0.043 0.000 0.987 568 D CA 1.277 55.257 54.000 -0.033 0.000 0.829 568 D CB -0.054 40.731 40.800 -0.025 0.000 0.961 568 D HN 0.592 nan 8.370 nan 0.000 0.460 569 D N 0.079 120.454 120.400 -0.041 0.000 2.117 569 D HA -0.142 4.542 4.640 0.073 0.000 0.197 569 D C 2.027 178.278 176.300 -0.082 0.000 0.987 569 D CA 0.819 54.788 54.000 -0.052 0.000 0.829 569 D CB -0.253 40.524 40.800 -0.038 0.000 0.961 569 D HN 0.347 nan 8.370 nan 0.000 0.460 570 Q N -0.383 119.369 119.800 -0.081 0.000 2.084 570 Q HA -0.095 4.289 4.340 0.073 0.000 0.202 570 Q C 1.966 177.892 176.000 -0.123 0.000 0.978 570 Q CA 0.517 56.251 55.803 -0.115 0.000 0.844 570 Q CB -0.044 28.642 28.738 -0.086 0.000 0.898 570 Q HN 0.171 nan 8.270 nan 0.000 0.426 571 L N 0.943 122.113 121.223 -0.088 0.000 2.261 571 L HA -0.171 4.213 4.340 0.073 0.000 0.216 571 L C 0.996 177.817 176.870 -0.082 0.000 1.114 571 L CA 1.718 56.511 54.840 -0.078 0.000 0.777 571 L CB -0.517 41.510 42.059 -0.054 0.000 0.910 571 L HN 0.252 nan 8.230 nan 0.000 0.440 572 N N -1.504 117.144 118.700 -0.086 0.000 2.236 572 N HA 0.169 4.952 4.740 0.073 0.000 0.196 572 N C 0.238 175.685 175.510 -0.104 0.000 1.114 572 N CA -0.261 52.742 53.050 -0.079 0.000 0.859 572 N CB 0.537 38.988 38.487 -0.059 0.000 0.982 572 N HN 0.202 nan 8.380 nan 0.000 0.493 573 I N 2.101 122.574 120.570 -0.161 0.000 2.741 573 I HA -0.080 4.134 4.170 0.073 0.000 0.288 573 I C 0.413 176.434 176.117 -0.159 0.000 1.192 573 I CA 0.384 61.552 61.300 -0.220 0.000 1.426 573 I CB 0.338 38.083 38.000 -0.425 0.000 1.367 573 I HN 0.068 nan 8.210 nan 0.000 0.563 574 T N 7.880 122.366 114.554 -0.114 0.000 2.888 574 T HA 0.150 4.544 4.350 0.073 0.000 0.301 574 T C -2.052 172.609 174.700 -0.065 0.000 1.001 574 T CA -0.906 61.155 62.100 -0.065 0.000 1.147 574 T CB 0.068 68.919 68.868 -0.028 0.000 0.931 574 T HN 0.377 nan 8.240 nan 0.000 0.541 575 P HA 0.209 nan 4.420 nan 0.000 0.269 575 P C -2.281 175.034 177.300 0.025 0.000 1.209 575 P CA -1.314 61.775 63.100 -0.019 0.000 0.776 575 P CB -0.465 31.234 31.700 -0.001 0.000 0.876 576 P HA 0.173 nan 4.420 nan 0.000 0.271 576 P C -2.364 174.992 177.300 0.093 0.000 1.233 576 P CA -1.207 61.963 63.100 0.116 0.000 0.789 576 P CB -1.016 30.799 31.700 0.192 0.000 0.951 577 P HA 0.093 nan 4.420 nan 0.000 0.274 577 P C -0.453 176.900 177.300 0.089 0.000 1.246 577 P CA -0.081 63.068 63.100 0.082 0.000 0.795 577 P CB 0.197 31.946 31.700 0.082 0.000 1.006 578 D N -0.321 120.123 120.400 0.074 0.000 2.354 578 D HA 0.062 4.746 4.640 0.073 0.000 0.238 578 D C -0.351 176.005 176.300 0.093 0.000 1.250 578 D CA -0.224 53.818 54.000 0.070 0.000 0.911 578 D CB -0.194 40.639 40.800 0.056 0.000 1.163 578 D HN 0.004 nan 8.370 nan 0.000 0.456 579 V N 1.444 121.408 119.914 0.083 0.000 2.318 579 V HA 0.164 4.328 4.120 0.073 0.000 0.271 579 V C -0.036 176.161 176.094 0.172 0.000 1.030 579 V CA -0.811 61.574 62.300 0.141 0.000 0.844 579 V CB -0.632 31.204 31.823 0.023 0.000 1.015 579 V HN 0.705 nan 8.190 nan 0.000 0.460 580 N N 4.334 123.144 118.700 0.184 0.000 2.714 580 N HA -0.225 4.559 4.740 0.073 0.000 0.252 580 N C 1.198 176.766 175.510 0.095 0.000 1.014 580 N CA 1.118 54.251 53.050 0.139 0.000 0.735 580 N CB -0.876 37.726 38.487 0.192 0.000 0.924 580 N HN 1.307 nan 8.380 nan 0.000 0.540 581 G N -1.968 106.877 108.800 0.075 0.000 2.184 581 G HA2 -0.334 3.670 3.960 0.073 0.000 0.264 581 G HA3 -0.334 3.670 3.960 0.073 0.000 0.264 581 G C 0.111 175.041 174.900 0.050 0.000 0.975 581 G CA 0.413 45.545 45.100 0.054 0.000 0.642 581 G HN 0.421 nan 8.290 nan 0.000 0.536 582 L N -0.020 121.237 121.223 0.058 0.000 2.305 582 L HA 0.450 4.834 4.340 0.073 0.000 0.281 582 L C 1.184 178.070 176.870 0.027 0.000 1.085 582 L CA -0.217 54.648 54.840 0.041 0.000 0.813 582 L CB 1.292 43.377 42.059 0.044 0.000 1.157 582 L HN 0.063 nan 8.230 nan 0.000 0.436 583 K N 3.559 123.969 120.400 0.016 0.000 2.478 583 K HA 0.196 4.559 4.320 0.073 0.000 0.205 583 K C -0.739 175.855 176.600 -0.010 0.000 1.033 583 K CA -0.147 56.147 56.287 0.011 0.000 1.091 583 K CB 0.514 33.023 32.500 0.015 0.000 0.844 583 K HN 0.557 nan 8.250 nan 0.000 0.507 584 K N -0.500 119.890 120.400 -0.017 0.000 2.960 584 K HA 0.169 4.533 4.320 0.073 0.000 0.296 584 K C -2.321 174.263 176.600 -0.027 0.000 1.092 584 K CA -0.943 55.317 56.287 -0.044 0.000 0.847 584 K CB 0.955 33.411 32.500 -0.074 0.000 1.458 584 K HN -0.158 nan 8.250 nan 0.000 0.359 585 D N 1.619 121.996 120.400 -0.038 0.000 2.470 585 D HA 0.300 4.984 4.640 0.073 0.000 0.233 585 D C -2.290 173.995 176.300 -0.025 0.000 1.372 585 D CA -1.800 52.198 54.000 -0.005 0.000 0.994 585 D CB 2.208 43.027 40.800 0.032 0.000 1.377 585 D HN 0.261 nan 8.370 nan 0.000 0.586 586 P HA -0.082 nan 4.420 nan 0.000 0.225 586 P C 1.278 178.573 177.300 -0.008 0.000 1.148 586 P CA 0.784 63.858 63.100 -0.043 0.000 0.779 586 P CB 0.199 31.884 31.700 -0.026 0.000 0.780 587 S N -1.163 114.565 115.700 0.047 0.000 2.507 587 S HA -0.034 4.479 4.470 0.073 0.000 0.235 587 S C 1.609 176.300 174.600 0.152 0.000 0.988 587 S CA 0.683 58.948 58.200 0.108 0.000 0.944 587 S CB -1.317 61.972 63.200 0.148 0.000 0.762 587 S HN 0.142 nan 8.310 nan 0.000 0.526 588 L N 1.164 122.439 121.223 0.088 0.000 2.509 588 L HA 0.240 4.624 4.340 0.073 0.000 0.222 588 L C 1.375 178.159 176.870 -0.144 0.000 1.123 588 L CA 0.023 54.916 54.840 0.090 0.000 0.856 588 L CB -0.191 41.906 42.059 0.063 0.000 0.985 588 L HN 0.311 nan 8.230 nan 0.000 0.456 589 S N -0.368 115.226 115.700 -0.176 0.000 2.586 589 S HA 0.303 4.817 4.470 0.073 0.000 0.274 589 S C 1.109 175.598 174.600 -0.186 0.000 1.281 589 S CA -0.621 57.419 58.200 -0.268 0.000 1.035 589 S CB 1.331 64.371 63.200 -0.266 0.000 0.962 589 S HN 0.161 nan 8.310 nan 0.000 0.512 590 L N 3.150 124.179 121.223 -0.323 0.000 2.072 590 L HA 0.002 4.386 4.340 0.073 0.000 0.205 590 L C 0.917 177.526 176.870 -0.436 0.000 1.079 590 L CA 1.213 55.764 54.840 -0.481 0.000 0.752 590 L CB -0.293 41.184 42.059 -0.970 0.000 0.906 590 L HN 0.772 nan 8.230 nan 0.000 0.436 591 Y N -2.005 118.302 120.300 0.012 0.000 2.500 591 Y HA 0.340 4.934 4.550 0.073 0.000 0.246 591 Y C 2.100 178.020 175.900 0.033 0.000 1.146 591 Y CA -0.194 57.958 58.100 0.086 0.000 1.230 591 Y CB -0.572 37.988 38.460 0.167 0.000 1.214 591 Y HN -0.022 nan 8.280 nan 0.000 0.526 592 A N 0.826 123.669 122.820 0.037 0.000 1.892 592 A HA -0.117 4.246 4.320 0.073 0.000 0.218 592 A C 1.013 178.631 177.584 0.057 0.000 1.188 592 A CA 1.265 53.300 52.037 -0.004 0.000 0.631 592 A CB -0.823 18.123 19.000 -0.089 0.000 0.822 592 A HN 0.319 nan 8.150 nan 0.000 0.447 593 I N 1.889 122.500 120.570 0.068 0.000 2.361 593 I HA 0.211 4.425 4.170 0.073 0.000 0.282 593 I C -2.298 173.892 176.117 0.121 0.000 1.075 593 I CA -2.166 59.182 61.300 0.081 0.000 1.205 593 I CB 1.148 39.186 38.000 0.063 0.000 1.406 593 I HN 0.097 nan 8.210 nan 0.000 0.481 594 P HA -0.045 nan 4.420 nan 0.000 0.263 594 P C -0.338 177.047 177.300 0.141 0.000 1.175 594 P CA 0.437 63.644 63.100 0.178 0.000 0.761 594 P CB 0.587 32.383 31.700 0.159 0.000 0.794 595 D N 0.406 120.899 120.400 0.156 0.000 2.640 595 D HA 0.084 4.768 4.640 0.073 0.000 0.282 595 D C 0.546 176.909 176.300 0.105 0.000 1.558 595 D CA -0.375 53.694 54.000 0.115 0.000 0.820 595 D CB -0.618 40.245 40.800 0.106 0.000 1.243 595 D HN 0.337 nan 8.370 nan 0.000 0.456 596 G N 0.458 109.333 108.800 0.124 0.000 2.398 596 G HA2 0.352 4.356 3.960 0.073 0.000 0.246 596 G HA3 0.352 4.356 3.960 0.073 0.000 0.246 596 G C -0.607 174.331 174.900 0.062 0.000 1.289 596 G CA -0.042 45.117 45.100 0.099 0.000 0.869 596 G HN 0.177 nan 8.290 nan 0.000 0.543 597 D N 0.904 121.328 120.400 0.040 0.000 2.505 597 D HA 0.251 4.934 4.640 0.073 0.000 0.249 597 D C 1.088 177.394 176.300 0.010 0.000 1.082 597 D CA -0.691 53.320 54.000 0.019 0.000 0.839 597 D CB 2.020 42.825 40.800 0.008 0.000 1.317 597 D HN 0.282 nan 8.370 nan 0.000 0.497 598 V N 1.267 121.180 119.914 -0.003 0.000 3.406 598 V HA 0.210 4.374 4.120 0.073 0.000 0.263 598 V C 0.970 177.038 176.094 -0.045 0.000 1.172 598 V CA 0.081 62.373 62.300 -0.013 0.000 1.140 598 V CB -0.979 30.832 31.823 -0.019 0.000 0.784 598 V HN 0.391 nan 8.190 nan 0.000 0.467 599 K N 1.948 122.316 120.400 -0.055 0.000 2.447 599 K HA 0.413 4.777 4.320 0.073 0.000 0.281 599 K C 1.179 177.726 176.600 -0.087 0.000 1.031 599 K CA 1.351 57.583 56.287 -0.092 0.000 1.019 599 K CB 0.066 32.520 32.500 -0.075 0.000 0.918 599 K HN 0.780 nan 8.250 nan 0.000 0.476 600 G N 3.226 111.933 108.800 -0.154 0.000 2.195 600 G HA2 -0.227 3.777 3.960 0.073 0.000 0.246 600 G HA3 -0.227 3.777 3.960 0.073 0.000 0.246 600 G C -0.013 174.909 174.900 0.036 0.000 0.984 600 G CA -0.039 45.041 45.100 -0.032 0.000 0.633 600 G HN 0.578 nan 8.290 nan 0.000 0.525 601 R N -0.088 120.402 120.500 -0.016 0.000 2.649 601 R HA 0.634 5.018 4.340 0.073 0.000 0.270 601 R C 0.152 176.491 176.300 0.065 0.000 1.105 601 R CA -0.129 55.999 56.100 0.047 0.000 1.193 601 R CB 0.872 31.195 30.300 0.039 0.000 1.120 601 R HN 0.314 nan 8.270 nan 0.000 0.561 602 V N 0.846 120.825 119.914 0.109 0.000 2.735 602 V HA 0.400 4.564 4.120 0.073 0.000 0.310 602 V C -0.276 175.878 176.094 0.099 0.000 1.061 602 V CA -0.918 61.461 62.300 0.132 0.000 0.913 602 V CB 2.343 34.265 31.823 0.165 0.000 1.005 602 V HN 0.379 nan 8.190 nan 0.000 0.428 603 V N 2.656 122.624 119.914 0.090 0.000 2.495 603 V HA 0.757 4.920 4.120 0.073 0.000 0.298 603 V C 0.414 176.559 176.094 0.087 0.000 1.031 603 V CA -0.651 61.693 62.300 0.074 0.000 0.871 603 V CB 1.800 33.651 31.823 0.047 0.000 0.988 603 V HN 1.045 nan 8.190 nan 0.000 0.432 604 A N 6.102 128.983 122.820 0.101 0.000 2.366 604 A HA 0.758 5.121 4.320 0.073 0.000 0.272 604 A C -0.403 177.190 177.584 0.015 0.000 1.135 604 A CA -0.179 51.907 52.037 0.082 0.000 0.804 604 A CB 0.003 19.095 19.000 0.153 0.000 1.064 604 A HN 0.781 nan 8.150 nan 0.000 0.499 605 I N 3.357 123.930 120.570 0.004 0.000 2.382 605 I HA 0.166 4.380 4.170 0.073 0.000 0.285 605 I C -1.026 175.096 176.117 0.008 0.000 1.007 605 I CA -0.683 60.623 61.300 0.010 0.000 1.142 605 I CB 1.526 39.545 38.000 0.031 0.000 1.289 605 I HN 0.374 nan 8.210 nan 0.000 0.453 606 L N 7.633 128.854 121.223 -0.004 0.000 2.295 606 L HA 0.355 4.739 4.340 0.073 0.000 0.288 606 L C 0.116 177.096 176.870 0.183 0.000 1.079 606 L CA 0.162 55.065 54.840 0.104 0.000 0.830 606 L CB 0.314 42.301 42.059 -0.119 0.000 1.200 606 L HN 0.426 nan 8.230 nan 0.000 0.438 607 L N 3.614 124.985 121.223 0.246 0.000 2.453 607 L HA 0.301 4.685 4.340 0.073 0.000 0.261 607 L C 0.408 177.478 176.870 0.334 0.000 1.179 607 L CA -0.324 54.622 54.840 0.176 0.000 0.813 607 L CB 0.694 42.755 42.059 0.003 0.000 1.110 607 L HN 0.762 nan 8.230 nan 0.000 0.466 608 N N -1.792 117.008 118.700 0.167 0.000 2.966 608 N HA 0.253 5.036 4.740 0.073 0.000 0.314 608 N C -0.319 175.206 175.510 0.025 0.000 1.397 608 N CA -0.719 52.488 53.050 0.262 0.000 0.776 608 N CB 0.611 39.224 38.487 0.211 0.000 1.576 608 N HN 0.528 nan 8.380 nan 0.000 0.592 609 D N -2.217 118.237 120.400 0.088 0.000 2.349 609 D HA -0.031 4.653 4.640 0.073 0.000 0.224 609 D C -0.155 176.119 176.300 -0.045 0.000 1.029 609 D CA 0.554 54.529 54.000 -0.041 0.000 0.879 609 D CB -0.101 40.745 40.800 0.077 0.000 0.906 609 D HN 0.765 nan 8.370 nan 0.000 0.528 610 E N 0.551 120.741 120.200 -0.016 0.000 3.832 610 E HA 0.227 4.620 4.350 0.073 0.000 0.250 610 E C -1.193 175.398 176.600 -0.016 0.000 1.215 610 E CA -0.497 55.891 56.400 -0.019 0.000 1.179 610 E CB 0.404 30.102 29.700 -0.003 0.000 1.270 610 E HN -0.106 nan 8.360 nan 0.000 0.405 611 V N 1.895 121.791 119.914 -0.031 0.000 2.763 611 V HA 0.059 4.223 4.120 0.073 0.000 0.306 611 V C 0.766 176.846 176.094 -0.023 0.000 1.059 611 V CA 0.162 62.450 62.300 -0.020 0.000 1.138 611 V CB 0.617 32.422 31.823 -0.029 0.000 0.940 611 V HN 0.495 nan 8.190 nan 0.000 0.489 612 R N 3.695 124.182 120.500 -0.021 0.000 2.309 612 R HA 0.128 4.512 4.340 0.073 0.000 0.331 612 R C 1.664 177.945 176.300 -0.032 0.000 1.116 612 R CA 0.803 56.885 56.100 -0.029 0.000 0.970 612 R CB 0.188 30.466 30.300 -0.036 0.000 1.024 612 R HN 0.978 nan 8.270 nan 0.000 0.472 613 S N 3.712 119.395 115.700 -0.029 0.000 2.393 613 S HA -0.346 4.167 4.470 0.073 0.000 0.234 613 S C 1.948 176.532 174.600 -0.028 0.000 1.064 613 S CA 1.595 59.779 58.200 -0.027 0.000 1.088 613 S CB -0.481 62.705 63.200 -0.024 0.000 0.939 613 S HN 0.718 nan 8.310 nan 0.000 0.448 614 A N 1.780 124.581 122.820 -0.032 0.000 1.908 614 A HA -0.113 4.251 4.320 0.073 0.000 0.218 614 A C 2.020 179.576 177.584 -0.047 0.000 1.181 614 A CA 1.848 53.864 52.037 -0.036 0.000 0.627 614 A CB -1.074 17.902 19.000 -0.039 0.000 0.818 614 A HN 0.606 nan 8.150 nan 0.000 0.445 615 D N -0.255 120.108 120.400 -0.063 0.000 2.084 615 D HA -0.125 4.559 4.640 0.073 0.000 0.194 615 D C 1.931 178.204 176.300 -0.046 0.000 0.990 615 D CA 0.773 54.720 54.000 -0.089 0.000 0.826 615 D CB -0.377 40.357 40.800 -0.110 0.000 0.971 615 D HN 0.280 nan 8.370 nan 0.000 0.453 616 L N 0.325 121.531 121.223 -0.028 0.000 2.042 616 L HA -0.175 4.209 4.340 0.073 0.000 0.210 616 L C 2.179 179.047 176.870 -0.003 0.000 1.076 616 L CA 1.043 55.878 54.840 -0.009 0.000 0.749 616 L CB -0.346 41.706 42.059 -0.011 0.000 0.893 616 L HN 0.100 nan 8.230 nan 0.000 0.432 617 L N 0.032 121.250 121.223 -0.009 0.000 2.017 617 L HA -0.132 4.251 4.340 0.073 0.000 0.208 617 L C 2.848 179.720 176.870 0.004 0.000 1.073 617 L CA 2.026 56.864 54.840 -0.003 0.000 0.745 617 L CB -1.398 40.656 42.059 -0.008 0.000 0.894 617 L HN 0.231 nan 8.230 nan 0.000 0.432 618 A N -0.616 122.204 122.820 -0.001 0.000 1.908 618 A HA -0.202 4.162 4.320 0.073 0.000 0.218 618 A C 2.329 179.934 177.584 0.036 0.000 1.181 618 A CA 1.910 53.953 52.037 0.010 0.000 0.627 618 A CB -0.687 18.308 19.000 -0.008 0.000 0.818 618 A HN 0.402 nan 8.150 nan 0.000 0.445 619 I N -0.445 120.150 120.570 0.041 0.000 2.163 619 I HA -0.241 3.973 4.170 0.073 0.000 0.240 619 I C 2.345 178.492 176.117 0.051 0.000 1.081 619 I CA 1.151 62.495 61.300 0.074 0.000 1.353 619 I CB -0.314 37.735 38.000 0.083 0.000 1.054 619 I HN 0.275 nan 8.210 nan 0.000 0.407 620 L N 0.650 121.894 121.223 0.034 0.000 2.141 620 L HA -0.211 4.173 4.340 0.073 0.000 0.209 620 L C 2.593 179.475 176.870 0.021 0.000 1.094 620 L CA 1.270 56.127 54.840 0.027 0.000 0.763 620 L CB -0.547 41.525 42.059 0.021 0.000 0.908 620 L HN 0.283 nan 8.230 nan 0.000 0.437 621 K N 0.734 121.146 120.400 0.019 0.000 2.025 621 K HA -0.140 4.223 4.320 0.073 0.000 0.207 621 K C 2.180 178.788 176.600 0.014 0.000 1.049 621 K CA 1.323 57.618 56.287 0.014 0.000 0.933 621 K CB -0.115 32.392 32.500 0.013 0.000 0.714 621 K HN 0.173 nan 8.250 nan 0.000 0.438 622 A N 1.531 124.365 122.820 0.023 0.000 1.902 622 A HA -0.099 4.265 4.320 0.073 0.000 0.217 622 A C 2.178 179.767 177.584 0.009 0.000 1.181 622 A CA 1.429 53.479 52.037 0.022 0.000 0.623 622 A CB -0.686 18.339 19.000 0.043 0.000 0.818 622 A HN 0.347 nan 8.150 nan 0.000 0.443 623 L N -0.629 120.601 121.223 0.011 0.000 2.027 623 L HA -0.191 4.193 4.340 0.073 0.000 0.206 623 L C 2.671 179.525 176.870 -0.026 0.000 1.074 623 L CA 1.924 56.759 54.840 -0.007 0.000 0.745 623 L CB -0.524 41.538 42.059 0.005 0.000 0.898 623 L HN 0.482 nan 8.230 nan 0.000 0.433 624 K N 0.711 121.104 120.400 -0.011 0.000 2.103 624 K HA -0.204 4.160 4.320 0.073 0.000 0.207 624 K C 2.120 178.705 176.600 -0.024 0.000 1.048 624 K CA 1.400 57.678 56.287 -0.016 0.000 0.930 624 K CB -0.069 32.432 32.500 0.002 0.000 0.716 624 K HN 0.261 nan 8.250 nan 0.000 0.444 625 A N 1.471 124.281 122.820 -0.015 0.000 1.940 625 A HA -0.138 4.226 4.320 0.073 0.000 0.219 625 A C 1.738 179.306 177.584 -0.027 0.000 1.176 625 A CA 1.492 53.520 52.037 -0.015 0.000 0.631 625 A CB -0.208 18.788 19.000 -0.006 0.000 0.814 625 A HN 0.194 nan 8.150 nan 0.000 0.446 626 K N -1.437 118.941 120.400 -0.036 0.000 2.404 626 K HA 0.168 4.531 4.320 0.073 0.000 0.194 626 K C 1.088 177.639 176.600 -0.081 0.000 1.023 626 K CA 0.708 56.966 56.287 -0.048 0.000 1.094 626 K CB -0.176 32.299 32.500 -0.041 0.000 0.841 626 K HN 0.808 nan 8.250 nan 0.000 0.523 627 G N 1.388 110.125 108.800 -0.105 0.000 2.147 627 G HA2 -0.230 3.773 3.960 0.073 0.000 0.244 627 G HA3 -0.230 3.773 3.960 0.073 0.000 0.244 627 G C 0.064 174.762 174.900 -0.338 0.000 1.005 627 G CA 0.222 45.216 45.100 -0.177 0.000 0.713 627 G HN 0.113 nan 8.290 nan 0.000 0.515 628 V N 1.017 120.775 119.914 -0.260 0.000 2.465 628 V HA 0.490 4.653 4.120 0.073 0.000 0.279 628 V C 0.828 176.760 176.094 -0.270 0.000 1.045 628 V CA -0.642 61.501 62.300 -0.263 0.000 0.938 628 V CB 0.964 32.724 31.823 -0.104 0.000 0.986 628 V HN 0.454 nan 8.190 nan 0.000 0.467 629 H N 1.871 120.948 119.070 0.012 0.000 2.499 629 H HA 0.793 5.393 4.556 0.073 0.000 0.352 629 H C 0.208 175.551 175.328 0.025 0.000 1.237 629 H CA 0.068 56.125 56.048 0.015 0.000 1.343 629 H CB 1.213 30.984 29.762 0.015 0.000 1.578 629 H HN 0.850 nan 8.280 nan 0.000 0.577 630 A N 0.828 123.749 122.820 0.168 0.000 2.498 630 A HA 0.594 4.958 4.320 0.073 0.000 0.298 630 A C -1.227 176.408 177.584 0.085 0.000 1.075 630 A CA -0.993 51.105 52.037 0.101 0.000 0.714 630 A CB 1.387 20.429 19.000 0.070 0.000 1.299 630 A HN 0.794 nan 8.150 nan 0.000 0.407 631 K N 1.842 122.285 120.400 0.071 0.000 2.541 631 K HA 0.641 5.004 4.320 0.073 0.000 0.250 631 K C -1.761 174.861 176.600 0.037 0.000 0.950 631 K CA -0.503 55.818 56.287 0.056 0.000 0.805 631 K CB 1.257 33.798 32.500 0.070 0.000 1.166 631 K HN 0.524 nan 8.250 nan 0.000 0.430 632 L N 4.237 125.472 121.223 0.019 0.000 2.281 632 L HA 0.346 4.730 4.340 0.073 0.000 0.285 632 L C -0.688 176.172 176.870 -0.016 0.000 1.074 632 L CA -1.053 53.789 54.840 0.003 0.000 0.817 632 L CB 0.367 42.421 42.059 -0.008 0.000 1.168 632 L HN 0.494 nan 8.230 nan 0.000 0.434 633 L N 4.298 125.505 121.223 -0.026 0.000 2.342 633 L HA 0.608 4.992 4.340 0.073 0.000 0.271 633 L C -0.534 176.184 176.870 -0.252 0.000 1.008 633 L CA -0.330 54.432 54.840 -0.130 0.000 0.818 633 L CB 1.609 43.618 42.059 -0.083 0.000 1.296 633 L HN 0.337 nan 8.230 nan 0.000 0.427 634 Y N -0.675 119.153 120.300 -0.786 0.000 2.829 634 Y HA 0.295 4.889 4.550 0.073 0.000 0.322 634 Y C 0.933 176.158 175.900 -1.124 0.000 1.357 634 Y CA -0.587 56.967 58.100 -0.910 0.000 1.081 634 Y CB 1.629 39.892 38.460 -0.329 0.000 1.339 634 Y HN 0.563 nan 8.280 nan 0.000 0.469 635 S N 0.572 115.540 115.700 -1.220 0.000 2.603 635 S HA 0.226 4.740 4.470 0.073 0.000 0.220 635 S C 0.023 174.429 174.600 -0.323 0.000 0.967 635 S CA 0.444 58.277 58.200 -0.611 0.000 0.920 635 S CB -0.279 62.667 63.200 -0.423 0.000 0.773 635 S HN 0.605 nan 8.310 nan 0.000 0.529 636 R N -1.470 118.896 120.500 -0.222 0.000 2.733 636 R HA 0.630 5.014 4.340 0.073 0.000 0.272 636 R C -0.805 175.496 176.300 0.002 0.000 1.029 636 R CA -1.040 55.024 56.100 -0.060 0.000 0.888 636 R CB 0.376 30.676 30.300 0.001 0.000 1.251 636 R HN -0.089 nan 8.270 nan 0.000 0.464 637 M N 0.164 119.766 119.600 0.002 0.000 2.012 637 M HA 0.558 5.082 4.480 0.073 0.000 0.248 637 M C 1.037 177.350 176.300 0.021 0.000 1.238 637 M CA 0.970 56.274 55.300 0.005 0.000 0.980 637 M CB 0.481 33.079 32.600 -0.004 0.000 1.346 637 M HN 1.041 nan 8.290 nan 0.000 0.511 638 G N 0.738 109.541 108.800 0.006 0.000 2.709 638 G HA2 -0.124 3.879 3.960 0.073 0.000 0.228 638 G HA3 -0.124 3.879 3.960 0.073 0.000 0.228 638 G C -0.830 174.060 174.900 -0.017 0.000 1.215 638 G CA -0.422 44.678 45.100 0.000 0.000 1.003 638 G HN 0.612 nan 8.290 nan 0.000 0.584 639 E N -1.173 119.009 120.200 -0.030 0.000 2.429 639 E HA 0.618 5.012 4.350 0.073 0.000 0.276 639 E C -0.581 175.950 176.600 -0.115 0.000 0.953 639 E CA -0.462 55.900 56.400 -0.063 0.000 0.787 639 E CB 3.031 32.703 29.700 -0.047 0.000 1.307 639 E HN 1.270 nan 8.360 nan 0.000 0.458 640 V N -1.894 117.921 119.914 -0.164 0.000 3.040 640 V HA 0.741 4.905 4.120 0.073 0.000 0.312 640 V C -0.581 175.429 176.094 -0.141 0.000 1.115 640 V CA -0.676 61.491 62.300 -0.221 0.000 0.998 640 V CB 1.983 33.547 31.823 -0.432 0.000 1.042 640 V HN 0.617 nan 8.190 nan 0.000 0.433 641 T N 2.464 116.949 114.554 -0.117 0.000 2.792 641 T HA 0.787 5.181 4.350 0.073 0.000 0.280 641 T C 0.375 175.033 174.700 -0.070 0.000 0.990 641 T CA 0.327 62.381 62.100 -0.076 0.000 0.960 641 T CB 1.408 70.245 68.868 -0.052 0.000 0.939 641 T HN 1.356 nan 8.240 nan 0.000 0.439 642 A N 2.444 125.230 122.820 -0.058 0.000 2.262 642 A HA 0.321 4.685 4.320 0.073 0.000 0.273 642 A C 1.613 179.176 177.584 -0.035 0.000 1.202 642 A CA -0.057 51.952 52.037 -0.047 0.000 0.811 642 A CB -0.013 18.963 19.000 -0.040 0.000 1.159 642 A HN 0.892 nan 8.150 nan 0.000 0.505 643 D N -0.343 120.040 120.400 -0.028 0.000 2.144 643 D HA -0.173 4.511 4.640 0.073 0.000 0.199 643 D C 0.615 176.902 176.300 -0.021 0.000 0.984 643 D CA 1.526 55.513 54.000 -0.023 0.000 0.834 643 D CB -0.544 40.243 40.800 -0.021 0.000 0.955 643 D HN 0.576 nan 8.370 nan 0.000 0.465 644 D N -1.022 119.366 120.400 -0.021 0.000 2.336 644 D HA 0.200 4.884 4.640 0.073 0.000 0.228 644 D C 1.528 177.816 176.300 -0.019 0.000 1.120 644 D CA 0.325 54.313 54.000 -0.019 0.000 0.839 644 D CB -0.324 40.465 40.800 -0.018 0.000 0.932 644 D HN 0.395 nan 8.370 nan 0.000 0.509 645 G N -0.051 108.736 108.800 -0.022 0.000 2.148 645 G HA2 -0.269 3.735 3.960 0.073 0.000 0.254 645 G HA3 -0.269 3.735 3.960 0.073 0.000 0.254 645 G C 0.262 175.147 174.900 -0.024 0.000 0.981 645 G CA 0.313 45.400 45.100 -0.022 0.000 0.670 645 G HN 0.427 nan 8.290 nan 0.000 0.528 646 T N 1.030 115.568 114.554 -0.026 0.000 2.779 646 T HA 0.419 4.813 4.350 0.073 0.000 0.296 646 T C 0.730 175.408 174.700 -0.035 0.000 0.938 646 T CA -0.201 61.883 62.100 -0.027 0.000 1.119 646 T CB 2.098 70.951 68.868 -0.025 0.000 0.891 646 T HN 0.350 nan 8.240 nan 0.000 0.526 647 V N 5.622 125.516 119.914 -0.033 0.000 2.439 647 V HA 0.131 4.295 4.120 0.073 0.000 0.271 647 V C -0.049 176.019 176.094 -0.043 0.000 1.040 647 V CA -0.433 61.843 62.300 -0.040 0.000 1.002 647 V CB 0.372 32.176 31.823 -0.031 0.000 1.000 647 V HN 0.568 nan 8.190 nan 0.000 0.477 648 L N 9.755 130.942 121.223 -0.061 0.000 2.265 648 L HA 0.488 4.872 4.340 0.073 0.000 0.289 648 L C -2.093 174.737 176.870 -0.067 0.000 1.033 648 L CA -2.074 52.729 54.840 -0.063 0.000 0.814 648 L CB 1.586 43.595 42.059 -0.082 0.000 1.203 648 L HN 0.421 nan 8.230 nan 0.000 0.423 649 P HA 0.246 nan 4.420 nan 0.000 0.282 649 P C -0.344 176.934 177.300 -0.037 0.000 1.262 649 P CA -0.250 62.828 63.100 -0.037 0.000 0.773 649 P CB 0.780 32.467 31.700 -0.022 0.000 0.879 650 I N 2.731 123.278 120.570 -0.039 0.000 2.441 650 I HA 0.158 4.372 4.170 0.073 0.000 0.287 650 I C 1.660 177.764 176.117 -0.021 0.000 1.049 650 I CA -0.318 60.962 61.300 -0.034 0.000 1.381 650 I CB 1.134 39.119 38.000 -0.024 0.000 1.409 650 I HN 0.362 nan 8.210 nan 0.000 0.523 651 A N 5.197 128.007 122.820 -0.016 0.000 1.935 651 A HA 0.577 4.941 4.320 0.073 0.000 0.214 651 A C 0.988 178.568 177.584 -0.006 0.000 1.178 651 A CA 1.191 53.225 52.037 -0.005 0.000 0.640 651 A CB 0.044 19.049 19.000 0.009 0.000 0.825 651 A HN 0.835 nan 8.150 nan 0.000 0.447 652 A N -2.014 120.794 122.820 -0.020 0.000 2.536 652 A HA 0.592 4.956 4.320 0.073 0.000 0.293 652 A C -0.024 177.512 177.584 -0.080 0.000 1.119 652 A CA 0.131 52.155 52.037 -0.021 0.000 0.654 652 A CB -0.260 18.752 19.000 0.019 0.000 1.291 652 A HN 0.717 nan 8.150 nan 0.000 0.439 653 T N -1.840 112.672 114.554 -0.070 0.000 2.847 653 T HA 0.574 4.968 4.350 0.073 0.000 0.279 653 T C 0.906 175.565 174.700 -0.069 0.000 0.984 653 T CA 0.012 62.012 62.100 -0.168 0.000 0.988 653 T CB 0.156 68.969 68.868 -0.093 0.000 1.040 653 T HN 0.433 nan 8.240 nan 0.000 0.528 654 F N 0.558 120.540 119.950 0.054 0.000 2.095 654 F HA -0.017 4.554 4.527 0.073 0.000 0.298 654 F C 3.006 178.945 175.800 0.231 0.000 1.104 654 F CA 1.165 59.253 58.000 0.147 0.000 1.232 654 F CB -0.704 38.350 39.000 0.090 0.000 0.987 654 F HN 0.696 nan 8.300 nan 0.000 0.475 655 A N 0.220 123.219 122.820 0.298 0.000 2.014 655 A HA 0.022 4.386 4.320 0.073 0.000 0.218 655 A C 2.402 180.060 177.584 0.123 0.000 1.163 655 A CA 1.437 53.583 52.037 0.182 0.000 0.652 655 A CB -1.430 17.637 19.000 0.111 0.000 0.808 655 A HN 0.412 nan 8.150 nan 0.000 0.449 656 G N -0.912 107.948 108.800 0.101 0.000 2.421 656 G HA2 0.279 4.283 3.960 0.073 0.000 0.217 656 G HA3 0.279 4.283 3.960 0.073 0.000 0.217 656 G C 0.634 175.586 174.900 0.087 0.000 1.143 656 G CA 0.971 46.111 45.100 0.066 0.000 0.784 656 G HN 1.111 nan 8.290 nan 0.000 0.541 657 A N 1.031 123.939 122.820 0.145 0.000 3.082 657 A HA 0.661 5.025 4.320 0.073 0.000 0.328 657 A C -2.615 175.128 177.584 0.264 0.000 1.089 657 A CA -1.130 51.007 52.037 0.166 0.000 0.802 657 A CB 1.315 20.408 19.000 0.156 0.000 1.138 657 A HN 0.129 nan 8.150 nan 0.000 0.474 658 P HA 0.052 nan 4.420 nan 0.000 0.271 658 P C 1.301 178.414 177.300 -0.311 0.000 1.233 658 P CA 0.393 63.425 63.100 -0.113 0.000 0.789 658 P CB 0.910 32.549 31.700 -0.101 0.000 0.951 659 S N 0.719 115.864 115.700 -0.925 0.000 2.402 659 S HA -0.200 4.314 4.470 0.073 0.000 0.233 659 S C 1.897 176.369 174.600 -0.214 0.000 1.030 659 S CA 1.194 59.037 58.200 -0.594 0.000 1.003 659 S CB -1.193 61.595 63.200 -0.686 0.000 0.813 659 S HN 0.214 nan 8.310 nan 0.000 0.477 660 L N 2.591 123.691 121.223 -0.205 0.000 2.089 660 L HA -0.093 4.291 4.340 0.073 0.000 0.213 660 L C 2.880 179.611 176.870 -0.232 0.000 1.079 660 L CA 2.315 57.034 54.840 -0.202 0.000 0.758 660 L CB -1.784 40.139 42.059 -0.226 0.000 0.891 660 L HN 0.799 nan 8.230 nan 0.000 0.433 661 T N -3.923 110.567 114.554 -0.107 0.000 3.129 661 T HA 0.249 4.643 4.350 0.073 0.000 0.251 661 T C 0.346 175.168 174.700 0.204 0.000 1.117 661 T CA 0.351 62.497 62.100 0.076 0.000 1.034 661 T CB -0.581 68.403 68.868 0.192 0.000 0.968 661 T HN 0.075 nan 8.240 nan 0.000 0.526 662 V N -2.782 117.204 119.914 0.120 0.000 3.074 662 V HA 0.580 4.744 4.120 0.073 0.000 0.314 662 V C -0.193 175.954 176.094 0.089 0.000 1.117 662 V CA -0.975 61.410 62.300 0.141 0.000 1.014 662 V CB 2.184 34.101 31.823 0.157 0.000 1.057 662 V HN -0.007 nan 8.190 nan 0.000 0.438 663 D N 1.083 121.535 120.400 0.085 0.000 2.346 663 D HA 0.481 5.165 4.640 0.073 0.000 0.206 663 D C 0.569 176.861 176.300 -0.014 0.000 1.001 663 D CA 1.473 55.496 54.000 0.039 0.000 0.871 663 D CB 1.427 42.268 40.800 0.068 0.000 0.943 663 D HN 0.998 nan 8.370 nan 0.000 0.518 664 A N 0.110 122.938 122.820 0.014 0.000 2.608 664 A HA 0.531 4.895 4.320 0.073 0.000 0.292 664 A C -1.511 176.091 177.584 0.031 0.000 1.066 664 A CA -0.561 51.469 52.037 -0.012 0.000 0.676 664 A CB 1.581 20.561 19.000 -0.033 0.000 1.277 664 A HN -0.106 nan 8.150 nan 0.000 0.413 665 V N 1.463 121.386 119.914 0.016 0.000 2.531 665 V HA 0.569 4.732 4.120 0.073 0.000 0.301 665 V C -0.688 175.408 176.094 0.004 0.000 1.034 665 V CA -0.183 62.138 62.300 0.035 0.000 0.865 665 V CB 1.416 33.278 31.823 0.066 0.000 0.995 665 V HN 0.681 nan 8.190 nan 0.000 0.424 666 I N 4.576 125.156 120.570 0.016 0.000 2.436 666 I HA 0.532 4.746 4.170 0.073 0.000 0.289 666 I C -0.789 175.354 176.117 0.043 0.000 1.010 666 I CA -0.889 60.447 61.300 0.060 0.000 1.098 666 I CB 2.273 40.340 38.000 0.111 0.000 1.266 666 I HN 0.280 nan 8.210 nan 0.000 0.434 667 V N 7.681 127.637 119.914 0.070 0.000 2.304 667 V HA 0.342 4.505 4.120 0.073 0.000 0.278 667 V C -2.129 174.025 176.094 0.099 0.000 1.018 667 V CA -1.655 60.675 62.300 0.049 0.000 0.814 667 V CB 1.053 32.883 31.823 0.011 0.000 1.021 667 V HN 0.544 nan 8.190 nan 0.000 0.440 668 P HA 0.179 nan 4.420 nan 0.000 0.274 668 P C 0.290 177.611 177.300 0.035 0.000 1.246 668 P CA -0.245 62.871 63.100 0.027 0.000 0.795 668 P CB 0.941 32.649 31.700 0.013 0.000 1.006 669 C N 0.458 119.751 119.300 -0.010 0.000 2.711 669 C HA 0.692 5.196 4.460 0.073 0.000 0.306 669 C C 1.213 176.210 174.990 0.011 0.000 1.479 669 C CA 1.632 60.650 59.018 -0.000 0.000 2.271 669 C CB -0.892 26.827 27.740 -0.035 0.000 2.155 669 C HN 0.939 nan 8.230 nan 0.000 0.674 670 G N 0.852 109.657 108.800 0.009 0.000 2.250 670 G HA2 -0.045 3.958 3.960 0.073 0.000 0.252 670 G HA3 -0.045 3.958 3.960 0.073 0.000 0.252 670 G C -0.664 174.248 174.900 0.020 0.000 1.325 670 G CA -0.038 45.069 45.100 0.011 0.000 1.091 670 G HN 1.042 nan 8.290 nan 0.000 0.476 671 N N 1.262 119.979 118.700 0.030 0.000 2.671 671 N HA 0.121 4.905 4.740 0.073 0.000 0.274 671 N C 1.300 176.842 175.510 0.053 0.000 1.188 671 N CA -0.575 52.495 53.050 0.033 0.000 1.065 671 N CB -0.132 38.378 38.487 0.039 0.000 1.415 671 N HN 0.373 nan 8.380 nan 0.000 0.511 672 I N 2.212 122.798 120.570 0.028 0.000 2.756 672 I HA -0.157 4.056 4.170 0.073 0.000 0.262 672 I C 2.245 178.349 176.117 -0.021 0.000 1.225 672 I CA 0.585 61.896 61.300 0.019 0.000 1.472 672 I CB -1.207 36.770 38.000 -0.039 0.000 1.094 672 I HN 0.502 nan 8.210 nan 0.000 0.454 673 A N 0.651 123.460 122.820 -0.017 0.000 2.015 673 A HA -0.240 4.123 4.320 0.073 0.000 0.219 673 A C 2.052 179.647 177.584 0.020 0.000 1.163 673 A CA 1.791 53.815 52.037 -0.022 0.000 0.646 673 A CB -0.539 18.452 19.000 -0.015 0.000 0.806 673 A HN 0.429 nan 8.150 nan 0.000 0.448 674 D N 0.388 120.827 120.400 0.065 0.000 2.178 674 D HA -0.117 4.567 4.640 0.073 0.000 0.202 674 D C 1.439 177.810 176.300 0.119 0.000 0.974 674 D CA 1.639 55.703 54.000 0.106 0.000 0.841 674 D CB -0.193 40.703 40.800 0.161 0.000 0.953 674 D HN 0.615 nan 8.370 nan 0.000 0.478 675 I N -4.303 116.355 120.570 0.146 0.000 4.240 675 I HA 0.523 4.736 4.170 0.073 0.000 0.331 675 I C 1.837 178.061 176.117 0.179 0.000 1.381 675 I CA -0.171 61.231 61.300 0.170 0.000 1.136 675 I CB 0.183 38.327 38.000 0.241 0.000 1.137 675 I HN -0.079 nan 8.210 nan 0.000 0.411 676 A N 1.749 124.589 122.820 0.032 0.000 1.940 676 A HA -0.174 4.190 4.320 0.073 0.000 0.219 676 A C 1.574 179.124 177.584 -0.057 0.000 1.176 676 A CA 2.098 54.017 52.037 -0.196 0.000 0.631 676 A CB -0.519 18.297 19.000 -0.306 0.000 0.814 676 A HN 0.552 nan 8.150 nan 0.000 0.446 677 D N -0.420 119.975 120.400 -0.008 0.000 2.388 677 D HA 0.025 4.708 4.640 0.073 0.000 0.221 677 D C -0.123 176.196 176.300 0.033 0.000 1.133 677 D CA -0.160 53.844 54.000 0.007 0.000 0.831 677 D CB -0.193 40.603 40.800 -0.007 0.000 0.962 677 D HN 0.314 nan 8.370 nan 0.000 0.502 678 N N 1.178 119.912 118.700 0.056 0.000 2.406 678 N HA 0.049 4.833 4.740 0.073 0.000 0.251 678 N C 1.400 176.930 175.510 0.034 0.000 1.069 678 N CA -0.101 52.974 53.050 0.042 0.000 0.947 678 N CB 1.409 39.921 38.487 0.042 0.000 1.111 678 N HN -0.003 nan 8.380 nan 0.000 0.497 679 G N 3.321 112.144 108.800 0.037 0.000 2.513 679 G HA2 -0.298 3.706 3.960 0.073 0.000 0.219 679 G HA3 -0.298 3.706 3.960 0.073 0.000 0.219 679 G C 0.975 175.914 174.900 0.064 0.000 1.160 679 G CA 0.735 45.862 45.100 0.045 0.000 0.767 679 G HN 0.668 nan 8.290 nan 0.000 0.571 680 D N 0.981 121.420 120.400 0.064 0.000 2.123 680 D HA -0.084 4.600 4.640 0.073 0.000 0.196 680 D C 2.860 179.146 176.300 -0.022 0.000 0.992 680 D CA 1.250 55.316 54.000 0.111 0.000 0.833 680 D CB -0.285 40.635 40.800 0.201 0.000 0.954 680 D HN 0.347 nan 8.370 nan 0.000 0.455 681 A N 1.751 124.396 122.820 -0.292 0.000 1.858 681 A HA -0.199 4.165 4.320 0.073 0.000 0.216 681 A C 2.039 179.439 177.584 -0.306 0.000 1.190 681 A CA 1.295 52.944 52.037 -0.645 0.000 0.617 681 A CB -0.563 18.066 19.000 -0.618 0.000 0.827 681 A HN 0.152 nan 8.150 nan 0.000 0.443 682 N N -1.521 117.134 118.700 -0.075 0.000 2.104 682 N HA -0.203 4.580 4.740 0.073 0.000 0.190 682 N C 1.706 177.214 175.510 -0.004 0.000 1.024 682 N CA 1.853 54.908 53.050 0.009 0.000 0.853 682 N CB -0.493 38.057 38.487 0.106 0.000 1.008 682 N HN 0.693 nan 8.380 nan 0.000 0.424 683 Y N 0.572 120.840 120.300 -0.054 0.000 2.224 683 Y HA -0.286 4.308 4.550 0.073 0.000 0.289 683 Y C 2.411 178.270 175.900 -0.069 0.000 1.146 683 Y CA 1.265 59.332 58.100 -0.055 0.000 1.182 683 Y CB -0.351 38.082 38.460 -0.045 0.000 0.983 683 Y HN 0.024 nan 8.280 nan 0.000 0.524 684 Y N -0.225 119.950 120.300 -0.207 0.000 2.114 684 Y HA -0.339 4.255 4.550 0.073 0.000 0.282 684 Y C 2.075 177.784 175.900 -0.319 0.000 1.165 684 Y CA 1.827 59.776 58.100 -0.251 0.000 1.148 684 Y CB -0.440 37.876 38.460 -0.240 0.000 0.972 684 Y HN 0.125 nan 8.280 nan 0.000 0.504 685 L N -0.612 120.548 121.223 -0.105 0.000 2.109 685 L HA -0.217 4.167 4.340 0.073 0.000 0.207 685 L C 2.299 179.059 176.870 -0.182 0.000 1.086 685 L CA 1.663 56.421 54.840 -0.137 0.000 0.760 685 L CB -1.388 40.559 42.059 -0.188 0.000 0.910 685 L HN 0.373 nan 8.230 nan 0.000 0.437 686 M N -0.926 118.513 119.600 -0.268 0.000 2.117 686 M HA -0.226 4.298 4.480 0.073 0.000 0.262 686 M C 2.173 178.237 176.300 -0.393 0.000 1.065 686 M CA 1.601 56.739 55.300 -0.270 0.000 1.114 686 M CB -0.410 32.041 32.600 -0.248 0.000 1.361 686 M HN 0.248 nan 8.290 nan 0.000 0.408 687 E N 0.648 120.418 120.200 -0.717 0.000 2.051 687 E HA -0.187 4.206 4.350 0.073 0.000 0.192 687 E C 2.025 178.285 176.600 -0.567 0.000 0.991 687 E CA 1.346 57.283 56.400 -0.772 0.000 0.799 687 E CB 0.002 29.182 29.700 -0.867 0.000 0.748 687 E HN 0.469 nan 8.360 nan 0.000 0.449 688 A N 0.208 122.807 122.820 -0.368 0.000 1.933 688 A HA -0.207 4.157 4.320 0.073 0.000 0.218 688 A C 2.028 179.519 177.584 -0.155 0.000 1.175 688 A CA 1.486 53.401 52.037 -0.204 0.000 0.628 688 A CB -0.873 18.064 19.000 -0.106 0.000 0.814 688 A HN 0.569 nan 8.150 nan 0.000 0.444 689 Y N 0.557 120.706 120.300 -0.251 0.000 2.133 689 Y HA -0.193 4.401 4.550 0.073 0.000 0.287 689 Y C 2.407 178.183 175.900 -0.206 0.000 1.134 689 Y CA 2.351 60.331 58.100 -0.200 0.000 1.133 689 Y CB -0.224 38.136 38.460 -0.167 0.000 0.987 689 Y HN 0.306 nan 8.280 nan 0.000 0.502 690 K N -0.567 119.722 120.400 -0.186 0.000 2.103 690 K HA -0.230 4.134 4.320 0.073 0.000 0.207 690 K C 1.088 177.557 176.600 -0.218 0.000 1.048 690 K CA 2.038 58.177 56.287 -0.247 0.000 0.930 690 K CB -0.490 31.836 32.500 -0.290 0.000 0.716 690 K HN 0.592 nan 8.250 nan 0.000 0.444 691 H N 0.473 119.424 119.070 -0.199 0.000 2.536 691 H HA 0.170 4.770 4.556 0.073 0.000 0.276 691 H C -0.029 175.136 175.328 -0.272 0.000 1.019 691 H CA 0.148 56.071 56.048 -0.208 0.000 1.159 691 H CB 0.054 29.692 29.762 -0.207 0.000 1.373 691 H HN 0.128 nan 8.280 nan 0.000 0.584 692 L N 0.262 121.340 121.223 -0.243 0.000 3.898 692 L HA -0.278 4.106 4.340 0.073 0.000 0.407 692 L C -0.394 176.219 176.870 -0.428 0.000 1.207 692 L CA 0.588 55.194 54.840 -0.391 0.000 0.931 692 L CB -1.617 40.196 42.059 -0.411 0.000 2.014 692 L HN 0.330 nan 8.230 nan 0.000 0.858 693 K N 0.758 120.975 120.400 -0.306 0.000 2.143 693 K HA 0.478 4.842 4.320 0.073 0.000 0.272 693 K C -2.144 174.326 176.600 -0.217 0.000 1.001 693 K CA -1.844 54.284 56.287 -0.265 0.000 0.915 693 K CB 0.718 33.118 32.500 -0.168 0.000 1.047 693 K HN -0.206 nan 8.250 nan 0.000 0.458 694 P HA 0.029 nan 4.420 nan 0.000 0.265 694 P C -0.750 176.486 177.300 -0.107 0.000 1.193 694 P CA 0.449 63.450 63.100 -0.164 0.000 0.765 694 P CB 0.387 31.989 31.700 -0.163 0.000 0.823 695 I N 1.932 122.452 120.570 -0.083 0.000 2.545 695 I HA 0.630 4.843 4.170 0.073 0.000 0.292 695 I C -0.315 175.758 176.117 -0.073 0.000 1.040 695 I CA -0.831 60.440 61.300 -0.049 0.000 1.068 695 I CB 2.209 40.209 38.000 0.000 0.000 1.251 695 I HN 0.261 nan 8.210 nan 0.000 0.424 696 A N 7.575 130.358 122.820 -0.062 0.000 2.359 696 A HA 0.856 5.220 4.320 0.073 0.000 0.303 696 A C -1.164 176.517 177.584 0.162 0.000 1.066 696 A CA -0.427 51.556 52.037 -0.090 0.000 0.730 696 A CB 1.018 19.779 19.000 -0.399 0.000 1.211 696 A HN 0.653 nan 8.150 nan 0.000 0.439 697 L N 2.162 123.537 121.223 0.253 0.000 2.356 697 L HA 0.750 5.134 4.340 0.073 0.000 0.277 697 L C 0.277 177.348 176.870 0.335 0.000 0.996 697 L CA -0.609 54.395 54.840 0.274 0.000 0.822 697 L CB 2.021 44.190 42.059 0.183 0.000 1.256 697 L HN 0.787 nan 8.230 nan 0.000 0.413 698 A N 2.286 125.208 122.820 0.171 0.000 2.318 698 A HA 0.827 5.190 4.320 0.073 0.000 0.324 698 A C 0.605 178.179 177.584 -0.017 0.000 1.170 698 A CA 0.271 52.280 52.037 -0.046 0.000 0.810 698 A CB 1.211 20.037 19.000 -0.291 0.000 1.198 698 A HN 0.980 nan 8.150 nan 0.000 0.484 699 G N 2.119 110.899 108.800 -0.034 0.000 2.634 699 G HA2 -0.355 3.649 3.960 0.073 0.000 0.309 699 G HA3 -0.355 3.649 3.960 0.073 0.000 0.309 699 G C 0.542 175.442 174.900 0.000 0.000 1.265 699 G CA 0.924 46.010 45.100 -0.023 0.000 0.998 699 G HN 0.719 nan 8.290 nan 0.000 0.551 700 D N 1.270 121.665 120.400 -0.008 0.000 2.354 700 D HA 0.174 4.858 4.640 0.073 0.000 0.216 700 D C 2.548 178.840 176.300 -0.014 0.000 0.970 700 D CA 1.631 55.618 54.000 -0.022 0.000 0.905 700 D CB -0.619 40.161 40.800 -0.033 0.000 0.903 700 D HN 0.799 nan 8.370 nan 0.000 0.508 701 A N 0.342 123.204 122.820 0.070 0.000 2.121 701 A HA -0.128 4.235 4.320 0.073 0.000 0.218 701 A C 2.046 179.748 177.584 0.195 0.000 1.154 701 A CA 0.603 52.772 52.037 0.220 0.000 0.679 701 A CB -0.289 18.869 19.000 0.262 0.000 0.795 701 A HN 0.126 nan 8.150 nan 0.000 0.458 702 R N -0.033 120.522 120.500 0.092 0.000 2.200 702 R HA -0.121 4.263 4.340 0.073 0.000 0.234 702 R C 1.693 178.003 176.300 0.017 0.000 1.127 702 R CA 1.401 57.541 56.100 0.067 0.000 0.989 702 R CB -0.220 30.104 30.300 0.041 0.000 0.869 702 R HN 0.522 nan 8.270 nan 0.000 0.459 703 K N -0.259 120.105 120.400 -0.061 0.000 2.280 703 K HA -0.123 4.241 4.320 0.073 0.000 0.202 703 K C 1.398 177.884 176.600 -0.191 0.000 1.047 703 K CA 1.148 57.340 56.287 -0.158 0.000 0.942 703 K CB -0.078 32.264 32.500 -0.263 0.000 0.739 703 K HN 0.171 nan 8.250 nan 0.000 0.457 704 F N 1.435 121.361 119.950 -0.040 0.000 2.502 704 F HA -0.075 4.496 4.527 0.073 0.000 0.298 704 F C 1.928 177.681 175.800 -0.078 0.000 1.111 704 F CA 0.735 58.700 58.000 -0.059 0.000 1.445 704 F CB 0.027 38.993 39.000 -0.057 0.000 1.081 704 F HN -0.075 nan 8.300 nan 0.000 0.558 705 K N 0.324 120.771 120.400 0.080 0.000 2.113 705 K HA -0.219 4.145 4.320 0.073 0.000 0.208 705 K C 2.320 178.893 176.600 -0.045 0.000 1.047 705 K CA 1.206 57.492 56.287 -0.002 0.000 0.928 705 K CB -0.383 32.113 32.500 -0.005 0.000 0.716 705 K HN 0.263 nan 8.250 nan 0.000 0.446 706 A N 0.531 123.331 122.820 -0.034 0.000 1.933 706 A HA -0.194 4.170 4.320 0.073 0.000 0.218 706 A C 2.231 179.787 177.584 -0.047 0.000 1.175 706 A CA 2.189 54.199 52.037 -0.046 0.000 0.628 706 A CB -0.925 18.046 19.000 -0.047 0.000 0.814 706 A HN 0.346 nan 8.150 nan 0.000 0.444 707 T N 0.156 114.700 114.554 -0.016 0.000 2.867 707 T HA -0.057 4.337 4.350 0.073 0.000 0.268 707 T C 1.343 175.983 174.700 -0.099 0.000 1.057 707 T CA 1.450 63.539 62.100 -0.017 0.000 1.136 707 T CB -0.566 68.337 68.868 0.059 0.000 0.874 707 T HN 0.618 nan 8.240 nan 0.000 0.466 708 I N -2.469 117.988 120.570 -0.189 0.000 3.891 708 I HA 0.467 4.681 4.170 0.073 0.000 0.331 708 I C -0.120 175.763 176.117 -0.389 0.000 1.406 708 I CA -0.600 60.454 61.300 -0.410 0.000 1.139 708 I CB -0.064 37.471 38.000 -0.775 0.000 1.056 708 I HN -0.090 nan 8.210 nan 0.000 0.399 709 K N 1.784 122.065 120.400 -0.198 0.000 3.150 709 K HA -0.101 4.263 4.320 0.073 0.000 0.267 709 K C -0.574 175.953 176.600 -0.122 0.000 1.028 709 K CA 0.589 56.799 56.287 -0.127 0.000 0.753 709 K CB -1.663 30.781 32.500 -0.094 0.000 1.288 709 K HN 0.430 nan 8.250 nan 0.000 0.473 710 I N 0.444 120.941 120.570 -0.121 0.000 2.385 710 I HA 0.371 4.585 4.170 0.073 0.000 0.294 710 I C 1.348 177.445 176.117 -0.033 0.000 0.988 710 I CA -1.199 60.057 61.300 -0.072 0.000 1.265 710 I CB 0.867 38.824 38.000 -0.071 0.000 1.388 710 I HN 0.328 nan 8.210 nan 0.000 0.480 711 A N 4.746 127.559 122.820 -0.012 0.000 2.448 711 A HA 0.056 4.420 4.320 0.073 0.000 0.239 711 A C 1.056 178.637 177.584 -0.004 0.000 1.080 711 A CA -0.112 51.922 52.037 -0.005 0.000 0.779 711 A CB 0.049 19.051 19.000 0.004 0.000 1.026 711 A HN 0.760 nan 8.150 nan 0.000 0.499 712 D N 0.107 120.505 120.400 -0.004 0.000 2.182 712 D HA -0.181 4.502 4.640 0.073 0.000 0.201 712 D C 2.058 178.360 176.300 0.004 0.000 0.986 712 D CA 1.967 55.966 54.000 -0.002 0.000 0.847 712 D CB -0.088 40.710 40.800 -0.003 0.000 0.942 712 D HN 0.834 nan 8.370 nan 0.000 0.467 713 Q N 0.159 119.962 119.800 0.005 0.000 2.472 713 Q HA 0.165 4.549 4.340 0.073 0.000 0.208 713 Q C 0.890 176.897 176.000 0.011 0.000 0.958 713 Q CA 0.766 56.574 55.803 0.008 0.000 0.932 713 Q CB 0.118 28.861 28.738 0.008 0.000 1.007 713 Q HN 0.085 nan 8.270 nan 0.000 0.508 714 G N 1.295 110.102 108.800 0.011 0.000 2.757 714 G HA2 -0.234 3.770 3.960 0.073 0.000 0.638 714 G HA3 -0.234 3.770 3.960 0.073 0.000 0.638 714 G C -1.141 173.769 174.900 0.016 0.000 1.344 714 G CA -0.224 44.884 45.100 0.015 0.000 0.855 714 G HN 0.655 nan 8.290 nan 0.000 0.537 715 E N -0.718 119.493 120.200 0.019 0.000 2.363 715 E HA 0.514 4.908 4.350 0.073 0.000 0.281 715 E C -0.668 175.936 176.600 0.007 0.000 0.953 715 E CA -0.975 55.438 56.400 0.022 0.000 0.778 715 E CB 1.367 31.096 29.700 0.048 0.000 1.220 715 E HN 0.422 nan 8.360 nan 0.000 0.431 716 E N 1.483 121.679 120.200 -0.007 0.000 2.480 716 E HA 0.193 4.587 4.350 0.073 0.000 0.258 716 E C 0.825 177.393 176.600 -0.054 0.000 0.984 716 E CA 1.721 58.102 56.400 -0.032 0.000 0.930 716 E CB 0.990 30.669 29.700 -0.034 0.000 0.936 716 E HN 0.935 nan 8.360 nan 0.000 0.466 717 G N 3.107 111.862 108.800 -0.074 0.000 2.231 717 G HA2 -0.193 3.811 3.960 0.073 0.000 0.206 717 G HA3 -0.193 3.811 3.960 0.073 0.000 0.206 717 G C 0.132 174.988 174.900 -0.072 0.000 0.996 717 G CA -0.431 44.605 45.100 -0.107 0.000 0.645 717 G HN 0.419 nan 8.290 nan 0.000 0.498 718 I N 2.404 122.955 120.570 -0.032 0.000 2.390 718 I HA 0.442 4.655 4.170 0.073 0.000 0.283 718 I C 0.469 176.560 176.117 -0.043 0.000 1.016 718 I CA -1.009 60.284 61.300 -0.012 0.000 1.151 718 I CB 1.208 39.231 38.000 0.038 0.000 1.293 718 I HN -0.099 nan 8.210 nan 0.000 0.458 719 V N 7.605 127.457 119.914 -0.104 0.000 2.530 719 V HA 0.324 4.487 4.120 0.073 0.000 0.282 719 V C 0.360 176.433 176.094 -0.035 0.000 1.048 719 V CA -0.316 61.887 62.300 -0.162 0.000 0.997 719 V CB 1.105 32.676 31.823 -0.419 0.000 0.987 719 V HN 0.842 nan 8.190 nan 0.000 0.477 720 E N 4.122 124.369 120.200 0.078 0.000 2.413 720 E HA 0.913 5.307 4.350 0.073 0.000 0.277 720 E C -0.919 175.829 176.600 0.247 0.000 0.958 720 E CA -1.040 55.485 56.400 0.208 0.000 0.779 720 E CB 2.661 32.430 29.700 0.115 0.000 1.278 720 E HN 0.878 nan 8.360 nan 0.000 0.456 721 A N 1.179 124.132 122.820 0.223 0.000 2.489 721 A HA 0.202 4.566 4.320 0.073 0.000 0.293 721 A C -0.492 177.105 177.584 0.022 0.000 1.004 721 A CA -0.464 51.650 52.037 0.127 0.000 0.626 721 A CB 0.585 19.696 19.000 0.186 0.000 1.345 721 A HN 0.649 nan 8.150 nan 0.000 0.447 722 D N 0.351 120.745 120.400 -0.010 0.000 2.149 722 D HA -0.015 4.669 4.640 0.073 0.000 0.198 722 D C 0.976 177.220 176.300 -0.093 0.000 0.990 722 D CA 2.425 56.401 54.000 -0.040 0.000 0.839 722 D CB 0.037 40.820 40.800 -0.029 0.000 0.948 722 D HN 0.896 nan 8.370 nan 0.000 0.460 723 S N -1.578 114.027 115.700 -0.159 0.000 2.579 723 S HA 0.619 5.133 4.470 0.073 0.000 0.272 723 S C -0.721 173.584 174.600 -0.492 0.000 1.141 723 S CA -0.936 57.118 58.200 -0.243 0.000 0.843 723 S CB 2.257 65.367 63.200 -0.151 0.000 1.122 723 S HN 0.059 nan 8.310 nan 0.000 0.468 724 A N 1.811 124.276 122.820 -0.591 0.000 2.785 724 A HA 0.582 4.946 4.320 0.073 0.000 0.294 724 A C 0.048 177.401 177.584 -0.385 0.000 1.597 724 A CA 0.360 51.844 52.037 -0.921 0.000 1.283 724 A CB -1.825 16.850 19.000 -0.542 0.000 1.088 724 A HN 0.951 nan 8.150 nan 0.000 0.568 725 D N -1.273 118.979 120.400 -0.245 0.000 10.584 725 D HA 0.279 4.963 4.640 0.073 0.000 0.317 725 D C 0.447 176.757 176.300 0.017 0.000 3.170 725 D CA 1.484 55.502 54.000 0.031 0.000 2.786 725 D CB -0.902 39.931 40.800 0.056 0.000 1.265 725 D HN 1.220 nan 8.370 nan 0.000 0.960 726 G N -0.307 108.529 108.800 0.061 0.000 2.010 726 G HA2 0.117 4.121 3.960 0.073 0.000 0.088 726 G HA3 0.117 4.121 3.960 0.073 0.000 0.088 726 G C 0.483 175.430 174.900 0.079 0.000 1.216 726 G CA 0.881 46.013 45.100 0.052 0.000 1.074 726 G HN 1.279 nan 8.290 nan 0.000 0.300 727 S N 0.270 116.027 115.700 0.094 0.000 2.540 727 S HA 0.354 4.867 4.470 0.073 0.000 0.218 727 S C 1.772 176.443 174.600 0.118 0.000 0.977 727 S CA 0.792 59.043 58.200 0.084 0.000 0.918 727 S CB 0.086 63.318 63.200 0.054 0.000 0.806 727 S HN 0.684 nan 8.310 nan 0.000 0.496 728 F N 2.881 122.830 119.950 -0.002 0.000 2.095 728 F HA -0.063 4.507 4.527 0.073 0.000 0.298 728 F C 2.135 177.932 175.800 -0.005 0.000 1.104 728 F CA 1.646 59.645 58.000 -0.002 0.000 1.232 728 F CB -0.252 38.748 39.000 -0.000 0.000 0.987 728 F HN 0.133 nan 8.300 nan 0.000 0.475 729 M N 0.140 119.874 119.600 0.222 0.000 2.200 729 M HA -0.158 4.366 4.480 0.073 0.000 0.265 729 M C 1.835 178.131 176.300 -0.007 0.000 1.066 729 M CA 1.266 56.618 55.300 0.087 0.000 1.127 729 M CB -1.353 31.334 32.600 0.145 0.000 1.379 729 M HN 0.157 nan 8.290 nan 0.000 0.420 730 D N 0.454 120.861 120.400 0.011 0.000 2.117 730 D HA -0.155 4.528 4.640 0.073 0.000 0.197 730 D C 1.961 178.235 176.300 -0.044 0.000 0.987 730 D CA 1.142 55.136 54.000 -0.010 0.000 0.829 730 D CB -0.093 40.710 40.800 0.005 0.000 0.961 730 D HN 0.469 nan 8.370 nan 0.000 0.460 731 E N 0.348 120.507 120.200 -0.068 0.000 2.038 731 E HA -0.148 4.246 4.350 0.073 0.000 0.195 731 E C 2.157 178.667 176.600 -0.151 0.000 1.000 731 E CA 0.324 56.660 56.400 -0.107 0.000 0.803 731 E CB -0.090 29.532 29.700 -0.132 0.000 0.750 731 E HN 0.148 nan 8.360 nan 0.000 0.448 732 L N 0.825 121.915 121.223 -0.221 0.000 2.046 732 L HA -0.174 4.209 4.340 0.073 0.000 0.208 732 L C 2.211 179.005 176.870 -0.127 0.000 1.077 732 L CA 1.282 55.991 54.840 -0.218 0.000 0.747 732 L CB -0.340 41.546 42.059 -0.288 0.000 0.896 732 L HN 0.233 nan 8.230 nan 0.000 0.432 733 L N -0.175 120.994 121.223 -0.089 0.000 2.141 733 L HA -0.128 4.256 4.340 0.073 0.000 0.209 733 L C 2.556 179.397 176.870 -0.049 0.000 1.094 733 L CA 1.634 56.441 54.840 -0.055 0.000 0.763 733 L CB -1.115 40.922 42.059 -0.036 0.000 0.908 733 L HN 0.210 nan 8.230 nan 0.000 0.437 734 T N -0.622 113.900 114.554 -0.054 0.000 2.777 734 T HA -0.128 4.265 4.350 0.073 0.000 0.266 734 T C 2.001 176.667 174.700 -0.056 0.000 1.040 734 T CA 1.147 63.221 62.100 -0.043 0.000 1.141 734 T CB -0.149 68.695 68.868 -0.040 0.000 0.868 734 T HN 0.208 nan 8.240 nan 0.000 0.444 735 L N 0.288 121.459 121.223 -0.088 0.000 2.046 735 L HA -0.072 4.311 4.340 0.073 0.000 0.208 735 L C 2.696 179.500 176.870 -0.110 0.000 1.077 735 L CA 1.275 56.045 54.840 -0.117 0.000 0.747 735 L CB -0.575 41.394 42.059 -0.149 0.000 0.896 735 L HN 0.291 nan 8.230 nan 0.000 0.432 736 M N -0.493 119.057 119.600 -0.083 0.000 2.108 736 M HA -0.212 4.312 4.480 0.073 0.000 0.261 736 M C 2.457 178.757 176.300 -0.001 0.000 1.066 736 M CA 1.933 57.205 55.300 -0.048 0.000 1.107 736 M CB -0.518 32.061 32.600 -0.034 0.000 1.356 736 M HN 0.333 nan 8.290 nan 0.000 0.406 737 A N 0.024 122.844 122.820 0.000 0.000 2.070 737 A HA 0.061 4.425 4.320 0.073 0.000 0.220 737 A C 2.102 179.720 177.584 0.058 0.000 1.159 737 A CA 1.620 53.675 52.037 0.030 0.000 0.656 737 A CB -0.651 18.360 19.000 0.019 0.000 0.800 737 A HN 0.515 nan 8.150 nan 0.000 0.453 738 A N -2.547 120.287 122.820 0.024 0.000 2.307 738 A HA 0.357 4.721 4.320 0.073 0.000 0.218 738 A C 0.947 178.551 177.584 0.033 0.000 1.228 738 A CA 1.180 53.241 52.037 0.039 0.000 0.857 738 A CB -0.471 18.514 19.000 -0.025 0.000 0.897 738 A HN 0.882 nan 8.150 nan 0.000 0.495 739 H N -1.095 117.910 119.070 -0.108 0.000 4.891 739 H HA -0.195 4.405 4.556 0.073 0.000 0.059 739 H C -0.005 175.090 175.328 -0.387 0.000 0.587 739 H CA 2.422 58.378 56.048 -0.153 0.000 0.970 739 H CB -0.551 29.207 29.762 -0.006 0.000 0.535 739 H HN 0.457 nan 8.280 nan 0.000 0.802 740 R N -0.279 119.634 120.500 -0.978 0.000 2.808 740 R HA 0.595 4.979 4.340 0.073 0.000 0.272 740 R C -0.663 174.790 176.300 -1.413 0.000 0.995 740 R CA -0.306 54.976 56.100 -1.364 0.000 0.917 740 R CB 1.775 30.898 30.300 -1.961 0.000 1.217 740 R HN 0.107 nan 8.270 nan 0.000 0.471 741 V N 2.492 121.820 119.914 -0.978 0.000 2.222 741 V HA 0.106 4.269 4.120 0.073 0.000 0.253 741 V C 0.757 176.479 176.094 -0.619 0.000 1.210 741 V CA -0.455 61.438 62.300 -0.679 0.000 1.079 741 V CB -0.341 31.227 31.823 -0.424 0.000 1.265 741 V HN 0.723 nan 8.190 nan 0.000 0.494 742 W N 1.731 122.759 121.300 -0.454 0.000 2.374 742 W HA -0.181 4.523 4.660 0.072 0.000 0.288 742 W C 2.527 178.845 176.519 -0.334 0.000 1.218 742 W CA 0.886 57.873 57.345 -0.597 0.000 1.245 742 W CB -0.432 28.302 29.460 -1.208 0.000 1.126 742 W HN 0.655 nan 8.180 nan 0.000 0.545 743 S N 0.667 116.335 115.700 -0.053 0.000 2.507 743 S HA -0.139 4.375 4.470 0.073 0.000 0.235 743 S C 1.720 176.290 174.600 -0.050 0.000 0.988 743 S CA 0.885 59.071 58.200 -0.023 0.000 0.944 743 S CB -0.411 62.776 63.200 -0.023 0.000 0.762 743 S HN 0.404 nan 8.310 nan 0.000 0.526 744 R N 0.765 121.192 120.500 -0.122 0.000 2.236 744 R HA 0.208 4.591 4.340 0.073 0.000 0.208 744 R C 1.842 178.073 176.300 -0.115 0.000 1.036 744 R CA 0.477 56.481 56.100 -0.159 0.000 1.001 744 R CB -0.411 29.681 30.300 -0.346 0.000 0.896 744 R HN 0.468 nan 8.270 nan 0.000 0.464 745 I N 1.822 122.360 120.570 -0.053 0.000 2.113 745 I HA -0.285 3.928 4.170 0.073 0.000 0.242 745 I C -0.808 175.331 176.117 0.036 0.000 1.057 745 I CA 1.684 62.996 61.300 0.021 0.000 1.314 745 I CB -1.054 37.008 38.000 0.103 0.000 1.022 745 I HN 0.170 nan 8.210 nan 0.000 0.408 746 P HA -0.190 nan 4.420 nan 0.000 0.218 746 P C 0.938 178.269 177.300 0.052 0.000 1.146 746 P CA 1.561 64.691 63.100 0.051 0.000 0.813 746 P CB -0.123 31.605 31.700 0.046 0.000 0.778 747 K N -0.691 119.738 120.400 0.049 0.000 2.393 747 K HA 0.137 4.501 4.320 0.073 0.000 0.193 747 K C 1.927 178.599 176.600 0.121 0.000 1.026 747 K CA 0.488 56.830 56.287 0.091 0.000 1.064 747 K CB -0.214 32.370 32.500 0.141 0.000 0.833 747 K HN 0.317 nan 8.250 nan 0.000 0.521 748 I N -1.486 119.124 120.570 0.067 0.000 2.761 748 I HA -0.077 4.137 4.170 0.073 0.000 0.261 748 I C 1.197 177.361 176.117 0.079 0.000 1.198 748 I CA 0.983 62.325 61.300 0.071 0.000 1.482 748 I CB -0.141 37.852 38.000 -0.011 0.000 1.100 748 I HN -0.179 nan 8.210 nan 0.000 0.445 749 D N 2.433 122.878 120.400 0.076 0.000 2.126 749 D HA -0.187 4.496 4.640 0.073 0.000 0.190 749 D C 1.925 178.266 176.300 0.068 0.000 1.001 749 D CA 1.508 55.552 54.000 0.074 0.000 0.841 749 D CB -0.111 40.732 40.800 0.071 0.000 0.949 749 D HN 0.211 nan 8.370 nan 0.000 0.446 750 K N 0.044 120.484 120.400 0.068 0.000 2.504 750 K HA 0.090 4.453 4.320 0.073 0.000 0.195 750 K C 0.529 177.162 176.600 0.055 0.000 1.036 750 K CA -0.171 56.151 56.287 0.057 0.000 0.984 750 K CB -0.358 32.173 32.500 0.052 0.000 0.788 750 K HN 0.256 nan 8.250 nan 0.000 0.488 751 I N 2.711 123.324 120.570 0.071 0.000 2.337 751 I HA 0.143 4.357 4.170 0.073 0.000 0.291 751 I C -2.284 173.863 176.117 0.049 0.000 1.046 751 I CA -2.439 58.896 61.300 0.057 0.000 1.324 751 I CB 0.832 38.887 38.000 0.091 0.000 1.409 751 I HN -0.075 nan 8.210 nan 0.000 0.494 752 P HA 0.318 nan 4.420 nan 0.000 0.260 752 P C -0.930 176.425 177.300 0.092 0.000 1.651 752 P CA 0.041 63.176 63.100 0.058 0.000 1.139 752 P CB 0.204 31.933 31.700 0.048 0.000 1.756 753 A N 0.000 122.874 122.820 0.091 0.000 2.254 753 A HA 0.000 4.364 4.320 0.073 0.000 0.244 753 A CA 0.000 52.138 52.037 0.168 0.000 0.836 753 A CB 0.000 19.000 19.000 0.000 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486