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 1dce_1_C DATA FIRST_RESID 2 DATA SEQUENCE HGRLKVKTSE EQAEAKRLER EQKLKLYQSA TQAVFQKRQA GELDESVLEL DATA SEQUENCE TSQILGANPD FATLWNCRRE VLQHLETEKS PEESAALVKA ELGFLESCLR DATA SEQUENCE VNPKSYGTWH HRCWLLSRLP EPNWARELEL CARFLEADER NFHCWDYRRF DATA SEQUENCE VAAQAAVAPA EELAFTDSLI TRNFSNYSSW HYRSCLLPQL HPQPDSGPQG DATA SEQUENCE RLPENVLLKE LELVQNAFFT DPNDQSAWFY HRWLLGRAEP HDVLCCVHVS DATA SEQUENCE REEACLSVCF SRPLTVGSRM GTLLLMVDEA PLSVEWRTPD GRNRPSHVWL DATA SEQUENCE CDLPAASLND QLPQHTFRVI WTGSDSQKEC VLLKDRPECW CRDSATDEQL DATA SEQUENCE FRCELSVEKS TVLQSELESC KELQELEPEN KWCLLTIILL MRALDPLLYE DATA SEQUENCE KETLQYFSTL KAVDPMRAAY LDDLRSKFLL ENSVLKMEYA DVRVLHLAHK DATA SEQUENCE DLTVLCHLEQ LLLVTHLDLS HNRLRALPPA LAALRCLEVL QASDNALENV DATA SEQUENCE DGVANLPRLQ ELLLCNNRLQ QSAAIQPLVS CPRLVLLNLQ GNSLCQEEGI DATA SEQUENCE QERLAEMLPS VSSILT 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 2 H HA 0.000 nan 4.556 nan 0.000 0.296 2 H C 0.000 175.341 175.328 0.022 0.000 0.993 2 H CA 0.000 56.064 56.048 0.027 0.000 1.023 2 H CB 0.000 29.784 29.762 0.036 0.000 1.292 3 G N 1.726 110.603 108.800 0.128 0.000 2.196 3 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.268 3 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.268 3 G C 0.111 175.038 174.900 0.044 0.000 0.975 3 G CA -0.001 45.147 45.100 0.080 0.000 0.648 3 G HN 0.454 nan 8.290 nan 0.000 0.538 4 R N -0.025 120.490 120.500 0.025 0.000 2.413 4 R HA 0.275 4.615 4.340 -0.000 0.000 0.333 4 R C 0.553 176.857 176.300 0.006 0.000 1.074 4 R CA -0.459 55.647 56.100 0.009 0.000 0.982 4 R CB 0.132 30.428 30.300 -0.007 0.000 0.981 4 R HN 0.337 nan 8.270 nan 0.000 0.452 5 L N 2.736 123.965 121.223 0.010 0.000 2.416 5 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 5 L C 0.802 177.674 176.870 0.003 0.000 1.161 5 L CA 0.485 55.330 54.840 0.009 0.000 0.845 5 L CB 0.438 42.504 42.059 0.011 0.000 1.119 5 L HN 0.376 nan 8.230 nan 0.000 0.464 6 K N 3.024 123.425 120.400 0.002 0.000 2.326 6 K HA 0.248 4.568 4.320 -0.000 0.000 0.275 6 K C -0.122 176.478 176.600 -0.000 0.000 1.018 6 K CA -0.292 55.993 56.287 -0.002 0.000 0.962 6 K CB 0.910 33.409 32.500 -0.002 0.000 0.953 6 K HN 0.573 nan 8.250 nan 0.000 0.475 7 V N 3.368 123.281 119.914 -0.002 0.000 3.671 7 V HA 0.168 4.288 4.120 -0.000 0.000 0.202 7 V C -0.447 175.646 176.094 -0.002 0.000 1.188 7 V CA 0.296 62.595 62.300 -0.001 0.000 1.325 7 V CB 0.294 32.116 31.823 -0.002 0.000 1.470 7 V HN 0.765 nan 8.190 nan 0.000 0.520 8 K N 0.180 120.578 120.400 -0.003 0.000 2.984 8 K HA 0.599 4.919 4.320 -0.000 0.000 0.211 8 K C -0.038 176.559 176.600 -0.005 0.000 1.174 8 K CA 0.733 57.018 56.287 -0.003 0.000 0.978 8 K CB 1.154 33.653 32.500 -0.003 0.000 1.212 8 K HN 0.572 nan 8.250 nan 0.000 0.589 9 T N -0.745 113.806 114.554 -0.005 0.000 2.589 9 T HA 0.285 4.635 4.350 -0.000 0.000 0.178 9 T C 1.931 176.627 174.700 -0.006 0.000 0.708 9 T CA 0.862 62.958 62.100 -0.007 0.000 1.734 9 T CB -0.821 68.041 68.868 -0.009 0.000 2.792 9 T HN 0.219 nan 8.240 nan 0.000 0.406 10 S N 1.163 116.859 115.700 -0.006 0.000 2.413 10 S HA 0.046 4.516 4.470 -0.000 0.000 0.237 10 S C 2.089 176.686 174.600 -0.005 0.000 1.044 10 S CA 3.339 61.536 58.200 -0.006 0.000 1.024 10 S CB -1.611 61.586 63.200 -0.005 0.000 0.829 10 S HN 1.248 nan 8.310 nan 0.000 0.475 11 E N -1.062 119.136 120.200 -0.004 0.000 2.295 11 E HA -0.124 4.226 4.350 -0.000 0.000 0.240 11 E C 1.698 178.296 176.600 -0.003 0.000 0.917 11 E CA 4.100 60.499 56.400 -0.003 0.000 0.956 11 E CB -1.468 28.231 29.700 -0.002 0.000 0.956 11 E HN 1.800 nan 8.360 nan 0.000 0.549 12 E N -3.609 116.589 120.200 -0.003 0.000 1.837 12 E HA 0.409 4.759 4.350 -0.000 0.000 0.194 12 E C 1.493 178.091 176.600 -0.003 0.000 0.926 12 E CA 1.668 58.067 56.400 -0.003 0.000 1.221 12 E CB -1.270 28.429 29.700 -0.002 0.000 3.585 12 E HN 1.520 nan 8.360 nan 0.000 0.813 13 Q N 0.090 119.888 119.800 -0.003 0.000 2.700 13 Q HA 0.821 5.161 4.340 -0.000 0.000 0.191 13 Q C 1.313 177.311 176.000 -0.004 0.000 1.134 13 Q CA 0.207 56.008 55.803 -0.003 0.000 1.193 13 Q CB -0.529 28.207 28.738 -0.003 0.000 1.250 13 Q HN 1.939 nan 8.270 nan 0.000 0.670 14 A N -0.865 121.952 122.820 -0.004 0.000 2.555 14 A HA 0.464 4.784 4.320 -0.000 0.000 0.233 14 A C 0.953 178.534 177.584 -0.006 0.000 1.060 14 A CA 0.823 52.858 52.037 -0.005 0.000 0.759 14 A CB -0.589 18.408 19.000 -0.005 0.000 0.995 14 A HN 1.543 nan 8.150 nan 0.000 0.506 15 E N 0.587 120.783 120.200 -0.006 0.000 2.548 15 E HA 0.532 4.882 4.350 -0.000 0.000 0.206 15 E C 0.900 177.495 176.600 -0.009 0.000 1.005 15 E CA 1.223 57.619 56.400 -0.008 0.000 0.951 15 E CB -0.887 28.808 29.700 -0.007 0.000 1.035 15 E HN 2.709 nan 8.360 nan 0.000 0.470 16 A N -0.784 122.031 122.820 -0.008 0.000 5.691 16 A HA 0.254 4.574 4.320 -0.000 0.000 0.271 16 A C 1.790 179.369 177.584 -0.008 0.000 2.133 16 A CA 3.198 55.229 52.037 -0.009 0.000 0.713 16 A CB -1.706 17.288 19.000 -0.011 0.000 1.115 16 A HN 2.046 nan 8.150 nan 0.000 0.356 17 K N -4.055 116.340 120.400 -0.009 0.000 2.916 17 K HA 0.500 4.820 4.320 -0.000 0.000 0.176 17 K C 1.355 177.950 176.600 -0.009 0.000 1.227 17 K CA 2.065 58.346 56.287 -0.009 0.000 0.751 17 K CB -2.442 30.053 32.500 -0.008 0.000 2.398 17 K HN 2.568 nan 8.250 nan 0.000 0.666 18 R N -0.541 119.954 120.500 -0.009 0.000 1.933 18 R HA 0.852 5.192 4.340 -0.000 0.000 0.167 18 R C 2.815 179.109 176.300 -0.009 0.000 1.823 18 R CA 1.976 58.071 56.100 -0.008 0.000 1.418 18 R CB -1.206 29.090 30.300 -0.007 0.000 1.174 18 R HN 1.473 nan 8.270 nan 0.000 0.476 19 L N -1.582 119.635 121.223 -0.009 0.000 2.117 19 L HA 0.574 4.914 4.340 -0.000 0.000 0.200 19 L C 2.577 179.439 176.870 -0.014 0.000 1.110 19 L CA 3.164 57.997 54.840 -0.011 0.000 0.774 19 L CB -1.669 40.384 42.059 -0.009 0.000 0.934 19 L HN 1.637 nan 8.230 nan 0.000 0.456 20 E N -1.559 118.632 120.200 -0.015 0.000 3.975 20 E HA -0.060 4.290 4.350 -0.000 0.000 0.342 20 E C 1.947 178.533 176.600 -0.024 0.000 0.677 20 E CA 3.576 59.965 56.400 -0.019 0.000 1.238 20 E CB -2.320 27.368 29.700 -0.019 0.000 1.665 20 E HN 2.725 nan 8.360 nan 0.000 0.429 21 R N -4.354 116.132 120.500 -0.023 0.000 2.397 21 R HA 0.176 4.516 4.340 -0.000 0.000 0.453 21 R C 2.154 178.436 176.300 -0.031 0.000 0.400 21 R CA 2.150 58.233 56.100 -0.028 0.000 1.384 21 R CB -2.955 27.320 30.300 -0.040 0.000 2.003 21 R HN 2.361 nan 8.270 nan 0.000 0.293 22 E N -0.370 119.814 120.200 -0.027 0.000 2.160 22 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 22 E C 2.429 179.020 176.600 -0.014 0.000 0.991 22 E CA 2.896 59.282 56.400 -0.025 0.000 0.810 22 E CB -1.088 28.599 29.700 -0.021 0.000 0.742 22 E HN 1.834 nan 8.360 nan 0.000 0.466 23 Q N 0.642 120.436 119.800 -0.010 0.000 2.030 23 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 23 Q C 2.271 178.273 176.000 0.003 0.000 0.986 23 Q CA 2.331 58.133 55.803 -0.003 0.000 0.843 23 Q CB -0.676 28.060 28.738 -0.004 0.000 0.904 23 Q HN 0.692 nan 8.270 nan 0.000 0.420 24 K N -0.434 119.966 120.400 -0.000 0.000 2.057 24 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 24 K C 2.226 178.838 176.600 0.020 0.000 1.049 24 K CA 1.310 57.604 56.287 0.011 0.000 0.931 24 K CB -0.310 32.189 32.500 -0.002 0.000 0.714 24 K HN 0.471 nan 8.250 nan 0.000 0.440 25 L N 1.262 122.473 121.223 -0.019 0.000 2.046 25 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 25 L C 2.554 179.440 176.870 0.027 0.000 1.077 25 L CA 1.514 56.329 54.840 -0.043 0.000 0.747 25 L CB -0.325 41.686 42.059 -0.079 0.000 0.896 25 L HN 0.219 nan 8.230 nan 0.000 0.432 26 K N -0.138 120.274 120.400 0.021 0.000 1.991 26 K HA -0.257 4.063 4.320 -0.000 0.000 0.212 26 K C 2.055 178.687 176.600 0.053 0.000 1.049 26 K CA 1.880 58.184 56.287 0.029 0.000 0.932 26 K CB -0.266 32.241 32.500 0.013 0.000 0.717 26 K HN 0.161 nan 8.250 nan 0.000 0.441 27 L N 0.644 121.898 121.223 0.052 0.000 2.081 27 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 27 L C 2.431 179.348 176.870 0.079 0.000 1.080 27 L CA 1.746 56.614 54.840 0.048 0.000 0.754 27 L CB -0.944 41.139 42.059 0.040 0.000 0.893 27 L HN 0.337 nan 8.230 nan 0.000 0.433 28 Y N -0.199 120.083 120.300 -0.030 0.000 2.263 28 Y HA -0.238 4.312 4.550 -0.000 0.000 0.292 28 Y C 2.583 178.463 175.900 -0.033 0.000 1.130 28 Y CA 1.410 59.493 58.100 -0.028 0.000 1.179 28 Y CB 0.055 38.504 38.460 -0.020 0.000 0.998 28 Y HN 0.246 nan 8.280 nan 0.000 0.532 29 Q N -0.478 119.459 119.800 0.228 0.000 2.167 29 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 29 Q C 2.245 178.254 176.000 0.014 0.000 0.970 29 Q CA 1.727 57.599 55.803 0.116 0.000 0.855 29 Q CB -0.066 28.726 28.738 0.090 0.000 0.911 29 Q HN 0.444 nan 8.270 nan 0.000 0.438 30 S N 0.749 116.450 115.700 0.001 0.000 2.395 30 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 30 S C 2.069 176.620 174.600 -0.081 0.000 1.027 30 S CA 0.714 58.896 58.200 -0.030 0.000 0.965 30 S CB -0.057 63.132 63.200 -0.019 0.000 0.812 30 S HN 0.432 nan 8.310 nan 0.000 0.482 31 A N 1.877 124.631 122.820 -0.109 0.000 1.930 31 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 31 A C 2.284 179.708 177.584 -0.266 0.000 1.175 31 A CA 1.797 53.728 52.037 -0.176 0.000 0.627 31 A CB -1.273 17.616 19.000 -0.185 0.000 0.815 31 A HN 0.458 nan 8.150 nan 0.000 0.443 32 T N 0.412 114.791 114.554 -0.292 0.000 2.746 32 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 32 T C 2.007 176.423 174.700 -0.473 0.000 1.039 32 T CA 1.767 63.611 62.100 -0.428 0.000 1.142 32 T CB -0.283 68.427 68.868 -0.265 0.000 0.866 32 T HN 0.655 nan 8.240 nan 0.000 0.444 33 Q N 0.658 120.331 119.800 -0.212 0.000 2.172 33 Q HA 0.133 4.473 4.340 -0.000 0.000 0.200 33 Q C 2.696 178.657 176.000 -0.066 0.000 0.964 33 Q CA 1.086 56.841 55.803 -0.081 0.000 0.855 33 Q CB -0.270 28.469 28.738 0.003 0.000 0.918 33 Q HN 0.545 nan 8.270 nan 0.000 0.444 34 A N 0.567 123.323 122.820 -0.106 0.000 1.969 34 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 34 A C 2.322 179.847 177.584 -0.099 0.000 1.169 34 A CA 0.949 52.937 52.037 -0.081 0.000 0.635 34 A CB -0.526 18.422 19.000 -0.087 0.000 0.810 34 A HN 0.190 nan 8.150 nan 0.000 0.445 35 V N -0.864 118.932 119.914 -0.197 0.000 2.343 35 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 35 V C 2.295 178.387 176.094 -0.004 0.000 1.051 35 V CA 2.019 64.207 62.300 -0.185 0.000 1.036 35 V CB -0.957 30.655 31.823 -0.351 0.000 0.654 35 V HN 0.673 nan 8.190 nan 0.000 0.451 36 F N -0.098 119.808 119.950 -0.073 0.000 2.234 36 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 36 F C 2.641 178.415 175.800 -0.042 0.000 1.087 36 F CA 1.072 59.042 58.000 -0.050 0.000 1.340 36 F CB -0.107 38.880 39.000 -0.021 0.000 1.031 36 F HN 0.240 nan 8.300 nan 0.000 0.500 37 Q N 0.687 120.562 119.800 0.126 0.000 2.062 37 Q HA -0.142 4.198 4.340 -0.000 0.000 0.196 37 Q C 1.966 177.980 176.000 0.023 0.000 0.967 37 Q CA 1.020 56.857 55.803 0.056 0.000 0.832 37 Q CB -0.239 28.518 28.738 0.031 0.000 0.899 37 Q HN 0.332 nan 8.270 nan 0.000 0.442 38 K N 0.863 121.265 120.400 0.004 0.000 2.059 38 K HA -0.243 4.076 4.320 -0.000 0.000 0.212 38 K C 2.202 178.793 176.600 -0.015 0.000 1.050 38 K CA 1.526 57.802 56.287 -0.018 0.000 0.927 38 K CB -0.266 32.210 32.500 -0.041 0.000 0.714 38 K HN 0.117 nan 8.250 nan 0.000 0.447 39 R N 1.434 121.943 120.500 0.015 0.000 2.066 39 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 39 R C 2.222 178.519 176.300 -0.006 0.000 1.131 39 R CA 1.591 57.695 56.100 0.008 0.000 0.955 39 R CB -0.104 30.224 30.300 0.046 0.000 0.851 39 R HN 0.304 nan 8.270 nan 0.000 0.432 40 Q N -0.685 119.118 119.800 0.004 0.000 2.234 40 Q HA -0.128 4.212 4.340 -0.000 0.000 0.206 40 Q C 1.560 177.553 176.000 -0.013 0.000 0.980 40 Q CA 1.617 57.415 55.803 -0.009 0.000 0.869 40 Q CB 0.054 28.790 28.738 -0.004 0.000 0.912 40 Q HN 0.433 nan 8.270 nan 0.000 0.436 41 A N -0.824 121.988 122.820 -0.013 0.000 2.308 41 A HA 0.355 4.675 4.320 -0.000 0.000 0.217 41 A C 1.236 178.803 177.584 -0.029 0.000 1.216 41 A CA 0.670 52.697 52.037 -0.017 0.000 0.864 41 A CB 0.228 19.220 19.000 -0.014 0.000 0.902 41 A HN 0.401 nan 8.150 nan 0.000 0.499 42 G N -0.214 108.562 108.800 -0.040 0.000 2.142 42 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 42 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 42 G C -0.309 174.532 174.900 -0.098 0.000 1.015 42 G CA 0.175 45.237 45.100 -0.063 0.000 0.716 42 G HN 0.581 nan 8.290 nan 0.000 0.508 43 E N 0.023 120.173 120.200 -0.083 0.000 1.963 43 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 43 E C 0.382 176.912 176.600 -0.118 0.000 1.061 43 E CA -0.298 56.044 56.400 -0.095 0.000 0.847 43 E CB 0.585 30.248 29.700 -0.062 0.000 1.083 43 E HN 0.345 nan 8.360 nan 0.000 0.402 44 L N 4.615 125.724 121.223 -0.190 0.000 2.599 44 L HA 0.284 4.624 4.340 -0.000 0.000 0.241 44 L C -0.589 176.210 176.870 -0.119 0.000 1.207 44 L CA -0.385 54.333 54.840 -0.204 0.000 0.987 44 L CB -0.241 41.572 42.059 -0.409 0.000 1.318 44 L HN 0.526 nan 8.230 nan 0.000 0.458 45 D N -2.414 117.946 120.400 -0.066 0.000 2.636 45 D HA 0.194 4.834 4.640 -0.000 0.000 0.275 45 D C 0.766 177.046 176.300 -0.033 0.000 1.130 45 D CA -0.756 53.228 54.000 -0.027 0.000 1.031 45 D CB 0.725 41.508 40.800 -0.027 0.000 1.451 45 D HN 0.063 nan 8.370 nan 0.000 0.505 46 E N 0.070 120.255 120.200 -0.026 0.000 2.393 46 E HA -0.270 4.080 4.350 -0.000 0.000 0.201 46 E C 1.527 178.086 176.600 -0.069 0.000 1.025 46 E CA 1.127 57.500 56.400 -0.045 0.000 0.856 46 E CB -0.423 29.256 29.700 -0.034 0.000 0.771 46 E HN 0.392 nan 8.360 nan 0.000 0.526 47 S N 0.966 116.626 115.700 -0.066 0.000 2.355 47 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 47 S C 2.131 176.667 174.600 -0.105 0.000 1.031 47 S CA 1.209 59.361 58.200 -0.079 0.000 0.993 47 S CB -0.250 62.911 63.200 -0.065 0.000 0.859 47 S HN 0.188 nan 8.310 nan 0.000 0.453 48 V N 1.772 121.623 119.914 -0.105 0.000 2.515 48 V HA -0.070 4.050 4.120 -0.000 0.000 0.250 48 V C 2.440 178.435 176.094 -0.166 0.000 1.058 48 V CA 1.234 63.455 62.300 -0.133 0.000 1.064 48 V CB -0.729 31.030 31.823 -0.107 0.000 0.675 48 V HN 0.377 nan 8.190 nan 0.000 0.461 49 L N 0.048 121.184 121.223 -0.145 0.000 2.093 49 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 49 L C 2.445 179.167 176.870 -0.247 0.000 1.085 49 L CA 2.011 56.739 54.840 -0.185 0.000 0.755 49 L CB -0.878 41.102 42.059 -0.132 0.000 0.904 49 L HN 0.491 nan 8.230 nan 0.000 0.435 50 E N -0.389 119.695 120.200 -0.193 0.000 2.028 50 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 50 E C 2.332 178.809 176.600 -0.205 0.000 0.988 50 E CA 1.015 57.300 56.400 -0.191 0.000 0.799 50 E CB -0.138 29.482 29.700 -0.134 0.000 0.755 50 E HN 0.409 nan 8.360 nan 0.000 0.447 51 L N 0.948 122.055 121.223 -0.192 0.000 1.989 51 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 51 L C 2.982 179.689 176.870 -0.271 0.000 1.071 51 L CA 2.001 56.715 54.840 -0.210 0.000 0.749 51 L CB -0.942 40.998 42.059 -0.198 0.000 0.890 51 L HN 0.424 nan 8.230 nan 0.000 0.431 52 T N -3.518 110.848 114.554 -0.313 0.000 2.881 52 T HA -0.166 4.184 4.350 -0.000 0.000 0.270 52 T C 1.964 176.453 174.700 -0.352 0.000 1.068 52 T CA 1.286 63.153 62.100 -0.388 0.000 1.131 52 T CB -0.481 68.139 68.868 -0.414 0.000 0.871 52 T HN 0.464 nan 8.240 nan 0.000 0.479 53 S N 1.215 116.694 115.700 -0.368 0.000 2.436 53 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 53 S C 2.175 176.713 174.600 -0.104 0.000 1.014 53 S CA 0.425 58.380 58.200 -0.408 0.000 0.950 53 S CB -0.532 62.145 63.200 -0.873 0.000 0.784 53 S HN 0.618 nan 8.310 nan 0.000 0.504 54 Q N 0.860 120.571 119.800 -0.147 0.000 2.030 54 Q HA -0.063 4.277 4.340 -0.000 0.000 0.204 54 Q C 2.197 178.157 176.000 -0.067 0.000 0.986 54 Q CA 2.166 57.919 55.803 -0.084 0.000 0.843 54 Q CB -0.471 28.199 28.738 -0.115 0.000 0.904 54 Q HN 0.650 nan 8.270 nan 0.000 0.420 55 I N 0.072 120.540 120.570 -0.169 0.000 2.233 55 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 55 I C 2.123 178.184 176.117 -0.093 0.000 1.093 55 I CA 0.889 62.056 61.300 -0.221 0.000 1.380 55 I CB -0.186 37.533 38.000 -0.469 0.000 1.067 55 I HN 0.129 nan 8.210 nan 0.000 0.413 56 L N 0.584 121.707 121.223 -0.167 0.000 2.093 56 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 56 L C 2.643 179.495 176.870 -0.029 0.000 1.085 56 L CA 1.397 56.130 54.840 -0.178 0.000 0.755 56 L CB -1.065 40.704 42.059 -0.483 0.000 0.904 56 L HN 0.326 nan 8.230 nan 0.000 0.435 57 G N -0.507 108.353 108.800 0.100 0.000 2.479 57 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 57 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 57 G C 1.633 176.561 174.900 0.047 0.000 1.115 57 G CA 0.905 46.059 45.100 0.091 0.000 0.757 57 G HN 0.482 nan 8.290 nan 0.000 0.560 58 A N -0.071 122.790 122.820 0.069 0.000 1.924 58 A HA 0.248 4.568 4.320 -0.000 0.000 0.211 58 A C 1.158 178.798 177.584 0.093 0.000 1.198 58 A CA 0.839 52.927 52.037 0.084 0.000 0.657 58 A CB 0.125 19.204 19.000 0.132 0.000 0.852 58 A HN 0.333 nan 8.150 nan 0.000 0.454 59 N N -0.294 118.484 118.700 0.131 0.000 2.716 59 N HA 0.303 5.043 4.740 -0.000 0.000 0.253 59 N C -2.690 172.888 175.510 0.114 0.000 1.170 59 N CA -2.022 51.112 53.050 0.140 0.000 0.807 59 N CB 1.583 40.194 38.487 0.208 0.000 1.183 59 N HN -0.082 nan 8.380 nan 0.000 0.524 60 P HA 0.069 nan 4.420 nan 0.000 0.242 60 P C -0.251 177.207 177.300 0.264 0.000 1.197 60 P CA 0.676 63.856 63.100 0.134 0.000 0.765 60 P CB 0.396 32.189 31.700 0.155 0.000 0.936 61 D N -1.035 119.493 120.400 0.214 0.000 2.325 61 D HA 0.043 4.683 4.640 -0.000 0.000 0.225 61 D C -0.038 176.432 176.300 0.285 0.000 1.096 61 D CA -0.129 54.019 54.000 0.247 0.000 0.844 61 D CB -0.240 40.672 40.800 0.186 0.000 0.925 61 D HN 0.277 nan 8.370 nan 0.000 0.513 62 F N 1.444 121.424 119.950 0.050 0.000 2.462 62 F HA 0.307 4.834 4.527 -0.000 0.000 0.354 62 F C 1.396 177.187 175.800 -0.014 0.000 1.192 62 F CA -0.881 57.129 58.000 0.017 0.000 1.173 62 F CB 0.772 39.754 39.000 -0.030 0.000 1.402 62 F HN -0.103 nan 8.300 nan 0.000 0.595 63 A N 3.340 126.377 122.820 0.362 0.000 1.930 63 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 63 A C 2.056 179.747 177.584 0.178 0.000 1.175 63 A CA 2.013 54.231 52.037 0.301 0.000 0.627 63 A CB -0.744 18.409 19.000 0.256 0.000 0.815 63 A HN 0.686 nan 8.150 nan 0.000 0.443 64 T N 0.606 115.261 114.554 0.169 0.000 2.833 64 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 64 T C 1.715 176.346 174.700 -0.115 0.000 1.054 64 T CA 1.328 63.474 62.100 0.076 0.000 1.135 64 T CB -0.337 68.660 68.868 0.216 0.000 0.869 64 T HN 0.395 nan 8.240 nan 0.000 0.466 65 L N -1.091 119.882 121.223 -0.417 0.000 2.093 65 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 65 L C 2.392 179.006 176.870 -0.427 0.000 1.085 65 L CA 1.293 55.781 54.840 -0.586 0.000 0.755 65 L CB -0.596 40.868 42.059 -0.992 0.000 0.904 65 L HN 0.400 nan 8.230 nan 0.000 0.435 66 W N 0.731 121.879 121.300 -0.253 0.000 2.342 66 W HA -0.203 4.457 4.660 -0.000 0.000 0.297 66 W C 2.492 178.848 176.519 -0.273 0.000 1.213 66 W CA 0.466 57.611 57.345 -0.333 0.000 1.251 66 W CB -0.476 28.812 29.460 -0.288 0.000 1.136 66 W HN 0.226 nan 8.180 nan 0.000 0.526 67 N N -0.148 118.565 118.700 0.021 0.000 2.084 67 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 67 N C 1.525 176.995 175.510 -0.067 0.000 1.030 67 N CA 1.834 54.864 53.050 -0.033 0.000 0.849 67 N CB -1.212 37.272 38.487 -0.005 0.000 1.012 67 N HN 0.142 nan 8.380 nan 0.000 0.423 68 C N 0.926 120.178 119.300 -0.079 0.000 2.446 68 C HA 0.025 4.485 4.460 -0.000 0.000 0.277 68 C C 2.610 177.552 174.990 -0.079 0.000 1.275 68 C CA 0.196 59.167 59.018 -0.078 0.000 1.727 68 C CB -0.862 26.816 27.740 -0.104 0.000 2.010 68 C HN 0.468 nan 8.230 nan 0.000 0.486 69 R N 0.525 120.967 120.500 -0.096 0.000 2.096 69 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 69 R C 2.405 178.724 176.300 0.031 0.000 1.127 69 R CA 1.210 57.297 56.100 -0.022 0.000 0.968 69 R CB -0.293 30.019 30.300 0.019 0.000 0.861 69 R HN 0.587 nan 8.270 nan 0.000 0.440 70 R N 0.693 121.142 120.500 -0.085 0.000 2.092 70 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 70 R C 2.052 178.330 176.300 -0.037 0.000 1.119 70 R CA 1.274 57.187 56.100 -0.311 0.000 0.970 70 R CB -0.067 29.665 30.300 -0.947 0.000 0.864 70 R HN 0.371 nan 8.270 nan 0.000 0.440 71 E N 0.106 120.296 120.200 -0.017 0.000 2.077 71 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 71 E C 2.015 178.676 176.600 0.100 0.000 0.989 71 E CA 1.421 57.854 56.400 0.056 0.000 0.800 71 E CB -0.011 29.701 29.700 0.019 0.000 0.746 71 E HN 0.090 nan 8.360 nan 0.000 0.452 72 V N 1.225 121.178 119.914 0.065 0.000 2.244 72 V HA -0.241 3.878 4.120 -0.000 0.000 0.244 72 V C 2.236 178.426 176.094 0.159 0.000 1.042 72 V CA 1.253 63.605 62.300 0.087 0.000 1.006 72 V CB -0.460 31.378 31.823 0.026 0.000 0.641 72 V HN 0.224 nan 8.190 nan 0.000 0.446 73 L N -0.146 121.188 121.223 0.185 0.000 2.051 73 L HA -0.270 4.070 4.340 -0.000 0.000 0.214 73 L C 2.517 179.538 176.870 0.251 0.000 1.076 73 L CA 2.132 57.115 54.840 0.238 0.000 0.758 73 L CB -1.432 40.845 42.059 0.363 0.000 0.890 73 L HN 0.482 nan 8.230 nan 0.000 0.433 74 Q N -1.460 118.527 119.800 0.311 0.000 2.030 74 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 74 Q C 2.448 178.556 176.000 0.180 0.000 0.986 74 Q CA 1.748 57.712 55.803 0.268 0.000 0.843 74 Q CB -0.235 28.687 28.738 0.307 0.000 0.904 74 Q HN 0.545 nan 8.270 nan 0.000 0.420 75 H N -0.545 118.585 119.070 0.100 0.000 2.289 75 H HA -0.157 4.399 4.556 -0.000 0.000 0.296 75 H C 1.736 177.096 175.328 0.053 0.000 1.091 75 H CA 1.795 57.882 56.048 0.064 0.000 1.274 75 H CB 0.167 29.958 29.762 0.048 0.000 1.364 75 H HN 0.254 nan 8.280 nan 0.000 0.490 76 L N 1.443 122.757 121.223 0.152 0.000 2.201 76 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 76 L C 2.463 179.345 176.870 0.021 0.000 1.105 76 L CA 1.134 56.024 54.840 0.084 0.000 0.775 76 L CB -0.909 41.210 42.059 0.100 0.000 0.913 76 L HN 0.294 nan 8.230 nan 0.000 0.440 77 E N -0.552 119.665 120.200 0.028 0.000 2.086 77 E HA -0.260 4.090 4.350 -0.000 0.000 0.200 77 E C 1.666 178.252 176.600 -0.024 0.000 1.012 77 E CA 2.064 58.468 56.400 0.007 0.000 0.812 77 E CB -0.105 29.602 29.700 0.012 0.000 0.743 77 E HN 0.616 nan 8.360 nan 0.000 0.453 78 T N -2.600 111.919 114.554 -0.057 0.000 3.144 78 T HA 0.137 4.487 4.350 -0.000 0.000 0.249 78 T C 1.134 175.791 174.700 -0.072 0.000 1.089 78 T CA 0.076 62.137 62.100 -0.066 0.000 0.989 78 T CB 0.252 69.072 68.868 -0.080 0.000 0.992 78 T HN 0.072 nan 8.240 nan 0.000 0.540 79 E N 0.347 120.507 120.200 -0.066 0.000 2.413 79 E HA 0.153 4.503 4.350 -0.000 0.000 0.203 79 E C 0.334 176.925 176.600 -0.015 0.000 0.957 79 E CA 0.009 56.386 56.400 -0.038 0.000 0.950 79 E CB 0.461 30.146 29.700 -0.025 0.000 0.957 79 E HN 0.289 nan 8.360 nan 0.000 0.497 80 K N 1.510 121.904 120.400 -0.010 0.000 2.087 80 K HA 0.231 4.551 4.320 -0.000 0.000 0.255 80 K C 0.273 176.868 176.600 -0.009 0.000 0.988 80 K CA -0.261 56.024 56.287 -0.004 0.000 0.915 80 K CB 1.509 34.011 32.500 0.004 0.000 1.043 80 K HN -0.001 nan 8.250 nan 0.000 0.457 81 S N 0.959 116.654 115.700 -0.008 0.000 2.584 81 S HA 0.119 4.589 4.470 -0.000 0.000 0.270 81 S C -1.449 173.143 174.600 -0.012 0.000 1.346 81 S CA -0.905 57.289 58.200 -0.010 0.000 1.018 81 S CB 0.567 63.761 63.200 -0.009 0.000 0.899 81 S HN 0.386 nan 8.310 nan 0.000 0.542 82 P HA -0.154 nan 4.420 nan 0.000 0.222 82 P C 1.157 178.446 177.300 -0.018 0.000 1.147 82 P CA 1.387 64.475 63.100 -0.019 0.000 0.790 82 P CB -0.077 31.610 31.700 -0.021 0.000 0.780 83 E N 0.652 120.843 120.200 -0.015 0.000 2.122 83 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 83 E C 2.081 178.675 176.600 -0.011 0.000 0.977 83 E CA 0.441 56.833 56.400 -0.014 0.000 0.820 83 E CB -0.722 28.970 29.700 -0.013 0.000 0.770 83 E HN 0.202 nan 8.360 nan 0.000 0.462 84 E N 1.453 121.648 120.200 -0.008 0.000 2.150 84 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 84 E C 2.073 178.673 176.600 -0.001 0.000 0.985 84 E CA 1.501 57.899 56.400 -0.004 0.000 0.814 84 E CB 0.071 29.770 29.700 -0.002 0.000 0.752 84 E HN 0.351 nan 8.360 nan 0.000 0.466 85 S N -0.231 115.468 115.700 -0.003 0.000 2.446 85 S HA 0.094 4.563 4.470 -0.000 0.000 0.225 85 S C 2.158 176.755 174.600 -0.005 0.000 1.016 85 S CA 0.511 58.712 58.200 0.002 0.000 0.943 85 S CB 0.110 63.311 63.200 0.001 0.000 0.786 85 S HN 0.339 nan 8.310 nan 0.000 0.508 86 A N 2.202 125.013 122.820 -0.014 0.000 1.917 86 A HA 0.147 4.467 4.320 -0.000 0.000 0.219 86 A C 2.541 180.117 177.584 -0.012 0.000 1.182 86 A CA 2.014 54.039 52.037 -0.021 0.000 0.633 86 A CB -1.532 17.453 19.000 -0.025 0.000 0.819 86 A HN 0.943 nan 8.150 nan 0.000 0.448 87 A N -1.153 121.663 122.820 -0.007 0.000 1.929 87 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 87 A C 2.035 179.623 177.584 0.006 0.000 1.176 87 A CA 1.550 53.586 52.037 -0.002 0.000 0.628 87 A CB -0.496 18.502 19.000 -0.003 0.000 0.816 87 A HN 0.440 nan 8.150 nan 0.000 0.444 88 L N -0.121 121.109 121.223 0.011 0.000 2.083 88 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 88 L C 2.496 179.390 176.870 0.040 0.000 1.083 88 L CA 1.555 56.410 54.840 0.025 0.000 0.752 88 L CB -0.591 41.486 42.059 0.030 0.000 0.899 88 L HN 0.210 nan 8.230 nan 0.000 0.433 89 V N -0.948 118.982 119.914 0.027 0.000 2.379 89 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 89 V C 2.547 178.653 176.094 0.020 0.000 1.044 89 V CA 1.616 63.930 62.300 0.024 0.000 1.036 89 V CB -0.531 31.282 31.823 -0.017 0.000 0.664 89 V HN 0.424 nan 8.190 nan 0.000 0.453 90 K N 0.239 120.643 120.400 0.006 0.000 2.032 90 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 90 K C 2.233 178.854 176.600 0.035 0.000 1.048 90 K CA 1.607 57.899 56.287 0.009 0.000 0.927 90 K CB -0.352 32.147 32.500 -0.001 0.000 0.712 90 K HN 0.439 nan 8.250 nan 0.000 0.441 91 A N 0.907 123.752 122.820 0.041 0.000 1.902 91 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 91 A C 1.968 179.624 177.584 0.120 0.000 1.181 91 A CA 1.896 53.969 52.037 0.059 0.000 0.623 91 A CB -0.584 18.433 19.000 0.030 0.000 0.818 91 A HN 0.408 nan 8.150 nan 0.000 0.443 92 E N 0.173 120.453 120.200 0.134 0.000 2.070 92 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 92 E C 1.847 178.575 176.600 0.213 0.000 1.004 92 E CA 1.465 58.005 56.400 0.233 0.000 0.805 92 E CB -0.373 29.455 29.700 0.212 0.000 0.744 92 E HN 0.619 nan 8.360 nan 0.000 0.451 93 L N -1.042 120.243 121.223 0.102 0.000 2.093 93 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 93 L C 2.419 179.314 176.870 0.042 0.000 1.085 93 L CA 1.103 55.966 54.840 0.038 0.000 0.755 93 L CB -0.598 41.462 42.059 0.001 0.000 0.904 93 L HN 0.282 nan 8.230 nan 0.000 0.435 94 G N -0.403 108.443 108.800 0.078 0.000 2.394 94 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.215 94 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.215 94 G C 1.475 176.452 174.900 0.129 0.000 1.165 94 G CA 0.306 45.452 45.100 0.077 0.000 0.784 94 G HN 0.279 nan 8.290 nan 0.000 0.535 95 F N 1.356 121.326 119.950 0.034 0.000 2.134 95 F HA 0.017 4.544 4.527 -0.000 0.000 0.299 95 F C 2.369 178.213 175.800 0.073 0.000 1.097 95 F CA 1.086 59.120 58.000 0.057 0.000 1.264 95 F CB -0.286 38.764 39.000 0.083 0.000 1.001 95 F HN 0.049 nan 8.300 nan 0.000 0.479 96 L N 0.259 121.452 121.223 -0.049 0.000 2.012 96 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 96 L C 2.575 179.244 176.870 -0.335 0.000 1.073 96 L CA 2.081 56.763 54.840 -0.263 0.000 0.748 96 L CB -0.850 41.067 42.059 -0.237 0.000 0.891 96 L HN 0.238 nan 8.230 nan 0.000 0.431 97 E N -0.252 119.824 120.200 -0.206 0.000 2.085 97 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 97 E C 2.175 178.722 176.600 -0.088 0.000 0.994 97 E CA 1.590 57.907 56.400 -0.139 0.000 0.801 97 E CB 0.099 29.788 29.700 -0.017 0.000 0.743 97 E HN 0.408 nan 8.360 nan 0.000 0.453 98 S N -0.193 115.447 115.700 -0.100 0.000 2.382 98 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 98 S C 2.105 176.604 174.600 -0.170 0.000 1.027 98 S CA 1.065 59.209 58.200 -0.094 0.000 0.991 98 S CB -0.319 62.855 63.200 -0.042 0.000 0.823 98 S HN 0.454 nan 8.310 nan 0.000 0.469 99 C N 1.428 120.537 119.300 -0.318 0.000 2.440 99 C HA 0.104 4.564 4.460 -0.000 0.000 0.278 99 C C 2.486 177.338 174.990 -0.231 0.000 1.295 99 C CA 0.249 59.104 59.018 -0.272 0.000 1.738 99 C CB -1.473 26.093 27.740 -0.291 0.000 1.987 99 C HN 0.535 nan 8.230 nan 0.000 0.492 100 L N 0.208 121.225 121.223 -0.344 0.000 2.131 100 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 100 L C 2.815 179.641 176.870 -0.074 0.000 1.092 100 L CA 1.439 56.013 54.840 -0.444 0.000 0.759 100 L CB -0.551 40.950 42.059 -0.930 0.000 0.903 100 L HN 0.356 nan 8.230 nan 0.000 0.435 101 R N -0.799 119.745 120.500 0.073 0.000 2.075 101 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 101 R C 2.232 178.540 176.300 0.015 0.000 1.126 101 R CA 1.126 57.280 56.100 0.089 0.000 0.963 101 R CB -0.335 29.982 30.300 0.028 0.000 0.858 101 R HN 0.139 nan 8.270 nan 0.000 0.435 102 V N 0.914 120.813 119.914 -0.025 0.000 2.295 102 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 102 V C 0.712 176.797 176.094 -0.015 0.000 1.049 102 V CA 1.390 63.679 62.300 -0.018 0.000 1.024 102 V CB -0.502 31.307 31.823 -0.023 0.000 0.648 102 V HN 0.359 nan 8.190 nan 0.000 0.447 103 N N -0.219 118.454 118.700 -0.045 0.000 2.609 103 N HA 0.274 5.014 4.740 -0.000 0.000 0.268 103 N C -2.411 173.039 175.510 -0.099 0.000 1.106 103 N CA -1.993 51.028 53.050 -0.048 0.000 0.823 103 N CB 1.858 40.328 38.487 -0.027 0.000 1.263 103 N HN -0.024 nan 8.380 nan 0.000 0.533 104 P HA -0.011 nan 4.420 nan 0.000 0.231 104 P C 0.037 177.322 177.300 -0.025 0.000 1.158 104 P CA 1.068 64.177 63.100 0.016 0.000 0.763 104 P CB 0.260 32.071 31.700 0.185 0.000 0.805 105 K N -0.962 119.309 120.400 -0.214 0.000 2.455 105 K HA 0.162 4.482 4.320 -0.000 0.000 0.206 105 K C 0.404 176.579 176.600 -0.707 0.000 1.027 105 K CA -0.074 55.816 56.287 -0.662 0.000 1.113 105 K CB 0.381 32.645 32.500 -0.394 0.000 0.850 105 K HN -0.072 nan 8.250 nan 0.000 0.503 106 S N 0.548 116.064 115.700 -0.306 0.000 2.443 106 S HA 0.069 4.539 4.470 -0.000 0.000 0.284 106 S C 0.936 175.536 174.600 -0.001 0.000 1.206 106 S CA -0.399 57.729 58.200 -0.120 0.000 1.074 106 S CB 0.116 63.273 63.200 -0.072 0.000 0.963 106 S HN 0.229 nan 8.310 nan 0.000 0.501 107 Y N 3.981 124.341 120.300 0.099 0.000 2.181 107 Y HA -0.032 4.518 4.550 -0.000 0.000 0.288 107 Y C 2.555 178.551 175.900 0.160 0.000 1.146 107 Y CA 1.657 59.889 58.100 0.220 0.000 1.164 107 Y CB -0.622 37.966 38.460 0.214 0.000 0.982 107 Y HN 0.795 nan 8.280 nan 0.000 0.515 108 G N -1.280 107.693 108.800 0.288 0.000 2.432 108 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 108 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 108 G C 1.657 176.389 174.900 -0.280 0.000 1.135 108 G CA 1.539 46.725 45.100 0.143 0.000 0.767 108 G HN 0.328 nan 8.290 nan 0.000 0.550 109 T N 0.002 114.356 114.554 -0.332 0.000 2.737 109 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 109 T C 1.988 176.319 174.700 -0.615 0.000 1.038 109 T CA 1.122 62.765 62.100 -0.761 0.000 1.144 109 T CB -0.315 68.250 68.868 -0.505 0.000 0.866 109 T HN 0.524 nan 8.240 nan 0.000 0.434 110 W N 0.725 121.819 121.300 -0.344 0.000 2.358 110 W HA -0.118 4.542 4.660 -0.000 0.000 0.303 110 W C 2.567 178.954 176.519 -0.221 0.000 1.208 110 W CA 1.213 58.364 57.345 -0.325 0.000 1.274 110 W CB -0.405 28.934 29.460 -0.202 0.000 1.138 110 W HN 0.428 nan 8.180 nan 0.000 0.515 111 H N -1.739 117.361 119.070 0.050 0.000 2.357 111 H HA -0.207 4.349 4.556 -0.000 0.000 0.301 111 H C 2.082 177.407 175.328 -0.006 0.000 1.082 111 H CA 2.381 58.452 56.048 0.038 0.000 1.342 111 H CB -0.518 29.290 29.762 0.077 0.000 1.389 111 H HN 0.146 nan 8.280 nan 0.000 0.511 112 H N 0.247 119.112 119.070 -0.342 0.000 2.353 112 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 112 H C 2.573 177.787 175.328 -0.190 0.000 1.103 112 H CA 2.146 57.975 56.048 -0.365 0.000 1.293 112 H CB -0.066 29.240 29.762 -0.761 0.000 1.372 112 H HN 0.273 nan 8.280 nan 0.000 0.501 113 R N -0.692 119.639 120.500 -0.282 0.000 2.090 113 R HA -0.084 4.256 4.340 -0.000 0.000 0.228 113 R C 2.329 178.589 176.300 -0.067 0.000 1.110 113 R CA 1.187 57.157 56.100 -0.216 0.000 0.973 113 R CB -0.542 29.558 30.300 -0.334 0.000 0.869 113 R HN 0.413 nan 8.270 nan 0.000 0.440 114 C N -0.165 119.062 119.300 -0.122 0.000 2.376 114 C HA -0.189 4.271 4.460 -0.000 0.000 0.275 114 C C 2.269 177.166 174.990 -0.156 0.000 1.200 114 C CA 0.935 59.742 59.018 -0.351 0.000 1.756 114 C CB -1.429 25.948 27.740 -0.604 0.000 2.050 114 C HN 0.767 nan 8.230 nan 0.000 0.460 115 W N 1.109 122.162 121.300 -0.412 0.000 2.338 115 W HA -0.171 4.489 4.660 -0.000 0.000 0.304 115 W C 2.244 178.661 176.519 -0.170 0.000 1.212 115 W CA 1.590 58.768 57.345 -0.279 0.000 1.264 115 W CB -0.544 28.726 29.460 -0.318 0.000 1.142 115 W HN 0.261 nan 8.180 nan 0.000 0.512 116 L N 0.332 121.523 121.223 -0.052 0.000 2.005 116 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 116 L C 2.396 179.154 176.870 -0.187 0.000 1.072 116 L CA 1.815 56.530 54.840 -0.208 0.000 0.744 116 L CB -1.323 40.677 42.059 -0.100 0.000 0.895 116 L HN 0.017 nan 8.230 nan 0.000 0.433 117 L N -0.787 120.426 121.223 -0.016 0.000 2.083 117 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 117 L C 2.486 179.433 176.870 0.128 0.000 1.083 117 L CA 1.760 56.640 54.840 0.067 0.000 0.752 117 L CB -1.336 40.934 42.059 0.352 0.000 0.899 117 L HN 0.351 nan 8.230 nan 0.000 0.433 118 S N -0.050 115.758 115.700 0.180 0.000 2.442 118 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 118 S C 1.690 176.256 174.600 -0.058 0.000 1.007 118 S CA 1.017 59.297 58.200 0.132 0.000 0.965 118 S CB -0.180 63.086 63.200 0.109 0.000 0.773 118 S HN 0.562 nan 8.310 nan 0.000 0.504 119 R N 0.702 121.072 120.500 -0.216 0.000 2.334 119 R HA 0.266 4.606 4.340 -0.000 0.000 0.212 119 R C 0.024 176.219 176.300 -0.175 0.000 0.897 119 R CA -0.106 55.847 56.100 -0.245 0.000 1.056 119 R CB -0.375 29.661 30.300 -0.440 0.000 1.046 119 R HN 0.273 nan 8.270 nan 0.000 0.513 120 L N 3.235 124.366 121.223 -0.152 0.000 2.462 120 L HA 0.117 4.457 4.340 -0.000 0.000 0.272 120 L C -1.323 175.493 176.870 -0.091 0.000 1.166 120 L CA -1.460 53.301 54.840 -0.131 0.000 0.880 120 L CB 0.794 42.751 42.059 -0.170 0.000 1.142 120 L HN -0.080 nan 8.230 nan 0.000 0.473 121 P HA -0.111 nan 4.420 nan 0.000 0.218 121 P C 0.148 177.419 177.300 -0.048 0.000 1.149 121 P CA 1.209 64.279 63.100 -0.050 0.000 0.817 121 P CB 0.300 31.973 31.700 -0.046 0.000 0.785 122 E N -0.355 119.795 120.200 -0.083 0.000 2.542 122 E HA 0.242 4.592 4.350 -0.000 0.000 0.298 122 E C -2.707 173.777 176.600 -0.193 0.000 0.980 122 E CA -1.645 54.698 56.400 -0.094 0.000 0.792 122 E CB 1.422 31.086 29.700 -0.061 0.000 1.463 122 E HN 0.041 nan 8.360 nan 0.000 0.389 123 P HA 0.234 nan 4.420 nan 0.000 0.278 123 P C -0.249 176.650 177.300 -0.667 0.000 1.238 123 P CA -0.556 62.152 63.100 -0.654 0.000 0.794 123 P CB 0.640 31.595 31.700 -1.241 0.000 0.955 124 N N 1.389 119.787 118.700 -0.503 0.000 2.482 124 N HA 0.031 4.771 4.740 -0.000 0.000 0.242 124 N C 0.154 175.470 175.510 -0.323 0.000 1.100 124 N CA -0.218 52.650 53.050 -0.302 0.000 0.946 124 N CB -0.147 38.243 38.487 -0.161 0.000 1.227 124 N HN 0.422 nan 8.380 nan 0.000 0.508 125 W N 2.666 123.960 121.300 -0.010 0.000 2.519 125 W HA 0.082 4.742 4.660 -0.000 0.000 0.266 125 W C 2.064 178.578 176.519 -0.008 0.000 1.253 125 W CA 0.367 57.701 57.345 -0.018 0.000 1.274 125 W CB 0.094 29.522 29.460 -0.053 0.000 1.114 125 W HN 0.674 nan 8.180 nan 0.000 0.596 126 A N 0.767 123.682 122.820 0.159 0.000 1.969 126 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 126 A C 2.014 179.651 177.584 0.088 0.000 1.169 126 A CA 1.533 53.633 52.037 0.105 0.000 0.635 126 A CB -0.751 18.288 19.000 0.065 0.000 0.810 126 A HN 0.322 nan 8.150 nan 0.000 0.445 127 R N -0.331 120.206 120.500 0.062 0.000 2.096 127 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 127 R C 1.600 177.972 176.300 0.121 0.000 1.127 127 R CA 1.710 57.847 56.100 0.062 0.000 0.968 127 R CB -0.179 30.135 30.300 0.024 0.000 0.861 127 R HN 0.444 nan 8.270 nan 0.000 0.440 128 E N 0.801 121.109 120.200 0.180 0.000 2.076 128 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 128 E C 2.171 178.927 176.600 0.261 0.000 0.979 128 E CA 0.778 57.362 56.400 0.307 0.000 0.807 128 E CB -0.213 29.775 29.700 0.479 0.000 0.761 128 E HN 0.396 nan 8.360 nan 0.000 0.454 129 L N 0.819 122.144 121.223 0.170 0.000 2.141 129 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 129 L C 2.516 179.408 176.870 0.036 0.000 1.094 129 L CA 1.058 55.924 54.840 0.044 0.000 0.763 129 L CB -0.196 41.855 42.059 -0.013 0.000 0.908 129 L HN 0.083 nan 8.230 nan 0.000 0.437 130 E N 0.655 120.901 120.200 0.078 0.000 2.106 130 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 130 E C 2.125 178.791 176.600 0.109 0.000 0.984 130 E CA 0.996 57.441 56.400 0.075 0.000 0.806 130 E CB -0.185 29.555 29.700 0.066 0.000 0.750 130 E HN 0.387 nan 8.360 nan 0.000 0.458 131 L N -0.398 120.920 121.223 0.158 0.000 2.046 131 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 131 L C 2.132 179.192 176.870 0.316 0.000 1.077 131 L CA 1.522 56.510 54.840 0.247 0.000 0.747 131 L CB -0.290 41.909 42.059 0.233 0.000 0.896 131 L HN 0.299 nan 8.230 nan 0.000 0.432 132 C N -0.081 119.356 119.300 0.228 0.000 2.413 132 C HA -0.153 4.307 4.460 -0.000 0.000 0.276 132 C C 3.093 178.112 174.990 0.048 0.000 1.236 132 C CA 0.708 59.802 59.018 0.126 0.000 1.735 132 C CB -1.489 26.238 27.740 -0.022 0.000 2.031 132 C HN 0.742 nan 8.230 nan 0.000 0.474 133 A N 0.428 123.270 122.820 0.037 0.000 1.908 133 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 133 A C 2.232 179.866 177.584 0.083 0.000 1.181 133 A CA 1.700 53.797 52.037 0.101 0.000 0.627 133 A CB -0.584 18.494 19.000 0.131 0.000 0.818 133 A HN 0.657 nan 8.150 nan 0.000 0.445 134 R N -1.882 118.660 120.500 0.070 0.000 2.083 134 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 134 R C 1.879 178.124 176.300 -0.091 0.000 1.137 134 R CA 1.894 57.977 56.100 -0.029 0.000 0.951 134 R CB -0.443 29.815 30.300 -0.072 0.000 0.851 134 R HN 0.569 nan 8.270 nan 0.000 0.434 135 F N -0.178 119.777 119.950 0.008 0.000 2.259 135 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 135 F C 1.899 177.682 175.800 -0.029 0.000 1.088 135 F CA 0.666 58.674 58.000 0.013 0.000 1.358 135 F CB 0.015 39.073 39.000 0.096 0.000 1.040 135 F HN -0.008 nan 8.300 nan 0.000 0.505 136 L N -0.224 121.040 121.223 0.069 0.000 2.395 136 L HA -0.045 4.295 4.340 -0.000 0.000 0.218 136 L C 2.125 178.992 176.870 -0.005 0.000 1.130 136 L CA 1.244 56.066 54.840 -0.030 0.000 0.826 136 L CB -1.134 40.803 42.059 -0.202 0.000 0.941 136 L HN 0.109 nan 8.230 nan 0.000 0.451 137 E N -0.133 120.064 120.200 -0.005 0.000 2.107 137 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 137 E C 2.233 178.802 176.600 -0.052 0.000 0.982 137 E CA 1.212 57.596 56.400 -0.027 0.000 0.809 137 E CB -0.108 29.579 29.700 -0.023 0.000 0.756 137 E HN 0.370 nan 8.360 nan 0.000 0.459 138 A N 0.929 123.706 122.820 -0.072 0.000 1.968 138 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 138 A C 0.756 178.318 177.584 -0.038 0.000 1.169 138 A CA 1.084 53.075 52.037 -0.076 0.000 0.638 138 A CB 0.169 19.090 19.000 -0.132 0.000 0.812 138 A HN 0.069 nan 8.150 nan 0.000 0.446 139 D N -1.141 119.258 120.400 -0.001 0.000 2.323 139 D HA 0.170 4.810 4.640 -0.000 0.000 0.242 139 D C 0.493 176.821 176.300 0.047 0.000 1.347 139 D CA -0.164 53.847 54.000 0.019 0.000 0.988 139 D CB 0.659 41.492 40.800 0.056 0.000 1.314 139 D HN 0.464 nan 8.370 nan 0.000 0.564 140 E N 1.910 122.119 120.200 0.016 0.000 2.418 140 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 140 E C 0.905 177.689 176.600 0.306 0.000 1.026 140 E CA 0.261 56.723 56.400 0.104 0.000 0.862 140 E CB 0.355 30.020 29.700 -0.059 0.000 0.799 140 E HN 0.103 nan 8.360 nan 0.000 0.518 141 R N 0.972 121.593 120.500 0.202 0.000 2.362 141 R HA 0.120 4.460 4.340 -0.000 0.000 0.227 141 R C 0.284 176.748 176.300 0.273 0.000 0.905 141 R CA -0.155 56.095 56.100 0.250 0.000 1.067 141 R CB -0.424 29.959 30.300 0.138 0.000 1.078 141 R HN 0.088 nan 8.270 nan 0.000 0.516 142 N N 2.191 121.020 118.700 0.216 0.000 2.412 142 N HA -0.106 4.633 4.740 -0.000 0.000 0.279 142 N C 0.869 176.455 175.510 0.126 0.000 1.287 142 N CA -0.108 53.003 53.050 0.101 0.000 0.948 142 N CB 0.149 38.669 38.487 0.056 0.000 1.255 142 N HN 0.092 nan 8.380 nan 0.000 0.485 143 F N 3.214 123.224 119.950 0.100 0.000 2.365 143 F HA 0.010 4.537 4.527 -0.000 0.000 0.300 143 F C 1.408 177.105 175.800 -0.172 0.000 1.090 143 F CA 0.914 58.919 58.000 0.009 0.000 1.408 143 F CB -0.645 38.271 39.000 -0.141 0.000 1.060 143 F HN 0.459 nan 8.300 nan 0.000 0.534 144 H N -0.795 117.740 119.070 -0.892 0.000 2.387 144 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 144 H C 2.426 177.059 175.328 -1.159 0.000 1.090 144 H CA 1.835 57.254 56.048 -1.048 0.000 1.332 144 H CB -0.833 28.114 29.762 -1.358 0.000 1.386 144 H HN 0.540 nan 8.280 nan 0.000 0.516 145 C N -0.469 118.377 119.300 -0.756 0.000 2.486 145 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 145 C C 2.316 177.104 174.990 -0.335 0.000 1.302 145 C CA 0.108 58.719 59.018 -0.679 0.000 1.720 145 C CB -1.358 26.194 27.740 -0.314 0.000 2.030 145 C HN 0.709 nan 8.230 nan 0.000 0.490 146 W N 1.260 122.448 121.300 -0.186 0.000 2.335 146 W HA -0.111 4.549 4.660 -0.000 0.000 0.311 146 W C 2.201 178.594 176.519 -0.210 0.000 1.213 146 W CA 1.654 58.901 57.345 -0.163 0.000 1.274 146 W CB -0.415 28.975 29.460 -0.116 0.000 1.148 146 W HN 0.322 nan 8.180 nan 0.000 0.498 147 D N -1.294 119.135 120.400 0.050 0.000 2.097 147 D HA -0.258 4.382 4.640 -0.000 0.000 0.195 147 D C 1.709 178.009 176.300 -0.000 0.000 0.989 147 D CA 1.414 55.416 54.000 0.004 0.000 0.827 147 D CB -0.999 39.805 40.800 0.007 0.000 0.966 147 D HN 0.115 nan 8.370 nan 0.000 0.456 148 Y N 1.446 121.616 120.300 -0.217 0.000 2.193 148 Y HA -0.227 4.323 4.550 -0.000 0.000 0.285 148 Y C 2.362 178.312 175.900 0.083 0.000 1.166 148 Y CA 1.690 59.751 58.100 -0.064 0.000 1.181 148 Y CB -0.032 38.277 38.460 -0.252 0.000 0.976 148 Y HN -0.147 nan 8.280 nan 0.000 0.520 149 R N 0.111 120.557 120.500 -0.089 0.000 2.075 149 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 149 R C 2.350 178.565 176.300 -0.141 0.000 1.126 149 R CA 1.394 57.405 56.100 -0.149 0.000 0.963 149 R CB -0.123 30.063 30.300 -0.190 0.000 0.858 149 R HN 0.343 nan 8.270 nan 0.000 0.435 150 R N -0.401 120.043 120.500 -0.093 0.000 2.091 150 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 150 R C 2.227 178.476 176.300 -0.086 0.000 1.136 150 R CA 1.767 57.837 56.100 -0.050 0.000 0.959 150 R CB -0.592 29.689 30.300 -0.032 0.000 0.856 150 R HN 0.269 nan 8.270 nan 0.000 0.437 151 F N 1.460 121.276 119.950 -0.224 0.000 2.134 151 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 151 F C 1.981 177.553 175.800 -0.381 0.000 1.097 151 F CA 1.267 59.111 58.000 -0.260 0.000 1.264 151 F CB -0.229 38.630 39.000 -0.235 0.000 1.001 151 F HN -0.280 nan 8.300 nan 0.000 0.479 152 V N 1.049 120.588 119.914 -0.625 0.000 2.261 152 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 152 V C 2.881 178.520 176.094 -0.758 0.000 1.047 152 V CA 1.839 63.683 62.300 -0.759 0.000 1.015 152 V CB -1.650 29.973 31.823 -0.334 0.000 0.642 152 V HN 0.529 nan 8.190 nan 0.000 0.446 153 A N 0.065 122.617 122.820 -0.447 0.000 1.927 153 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 153 A C 2.376 179.735 177.584 -0.375 0.000 1.185 153 A CA 2.671 54.509 52.037 -0.331 0.000 0.639 153 A CB -0.820 18.098 19.000 -0.136 0.000 0.820 153 A HN 0.625 nan 8.150 nan 0.000 0.451 154 A N -1.741 120.840 122.820 -0.398 0.000 1.930 154 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 154 A C 2.090 179.396 177.584 -0.463 0.000 1.176 154 A CA 1.355 53.183 52.037 -0.348 0.000 0.632 154 A CB -0.367 18.482 19.000 -0.252 0.000 0.819 154 A HN 0.498 nan 8.150 nan 0.000 0.445 155 Q N -0.540 118.817 119.800 -0.738 0.000 2.167 155 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 155 Q C 1.931 177.438 176.000 -0.823 0.000 0.970 155 Q CA 1.541 56.869 55.803 -0.793 0.000 0.855 155 Q CB -0.365 27.647 28.738 -1.210 0.000 0.911 155 Q HN 0.648 nan 8.270 nan 0.000 0.438 156 A N -0.556 121.659 122.820 -1.009 0.000 2.348 156 A HA 0.509 4.829 4.320 -0.000 0.000 0.224 156 A C 1.025 178.362 177.584 -0.413 0.000 1.227 156 A CA 0.638 52.171 52.037 -0.839 0.000 0.885 156 A CB 0.235 18.610 19.000 -1.042 0.000 0.933 156 A HN 0.239 nan 8.150 nan 0.000 0.506 157 A N -0.923 121.683 122.820 -0.357 0.000 2.791 157 A HA -0.124 4.196 4.320 -0.000 0.000 0.292 157 A C 0.339 177.814 177.584 -0.182 0.000 1.487 157 A CA 0.640 52.545 52.037 -0.221 0.000 0.760 157 A CB -2.602 16.302 19.000 -0.161 0.000 1.031 157 A HN 0.936 nan 8.150 nan 0.000 0.503 158 V N 0.592 120.383 119.914 -0.205 0.000 2.409 158 V HA 0.344 4.463 4.120 -0.000 0.000 0.270 158 V C 1.439 177.470 176.094 -0.106 0.000 1.019 158 V CA 0.307 62.523 62.300 -0.138 0.000 1.066 158 V CB -0.166 31.573 31.823 -0.139 0.000 1.021 158 V HN 1.640 nan 8.190 nan 0.000 0.476 159 A N 9.456 132.225 122.820 -0.084 0.000 2.613 159 A HA 0.125 4.445 4.320 -0.000 0.000 0.230 159 A C -0.375 177.165 177.584 -0.073 0.000 1.051 159 A CA -0.301 51.692 52.037 -0.074 0.000 0.754 159 A CB -0.242 18.722 19.000 -0.061 0.000 0.979 159 A HN 0.724 nan 8.150 nan 0.000 0.510 160 P HA -0.168 nan 4.420 nan 0.000 0.220 160 P C 1.396 178.636 177.300 -0.100 0.000 1.148 160 P CA 1.942 64.982 63.100 -0.100 0.000 0.803 160 P CB -0.000 31.639 31.700 -0.102 0.000 0.782 161 A N 0.627 123.400 122.820 -0.078 0.000 1.930 161 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 161 A C 2.225 179.787 177.584 -0.037 0.000 1.175 161 A CA 1.348 53.349 52.037 -0.059 0.000 0.627 161 A CB -1.052 17.919 19.000 -0.048 0.000 0.815 161 A HN 0.173 nan 8.150 nan 0.000 0.443 162 E N -0.714 119.469 120.200 -0.030 0.000 2.077 162 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 162 E C 2.009 178.628 176.600 0.032 0.000 0.989 162 E CA 1.318 57.718 56.400 0.001 0.000 0.800 162 E CB -0.096 29.599 29.700 -0.009 0.000 0.746 162 E HN 0.630 nan 8.360 nan 0.000 0.452 163 E N 0.617 120.813 120.200 -0.007 0.000 2.152 163 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 163 E C 1.779 178.355 176.600 -0.040 0.000 0.983 163 E CA 0.274 56.681 56.400 0.013 0.000 0.818 163 E CB -0.029 29.637 29.700 -0.057 0.000 0.758 163 E HN 0.059 nan 8.360 nan 0.000 0.467 164 L N 0.295 121.450 121.223 -0.112 0.000 2.017 164 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 164 L C 2.104 178.950 176.870 -0.040 0.000 1.073 164 L CA 2.146 56.920 54.840 -0.111 0.000 0.745 164 L CB -1.161 40.843 42.059 -0.092 0.000 0.894 164 L HN 0.168 nan 8.230 nan 0.000 0.432 165 A N -1.103 121.718 122.820 0.002 0.000 1.948 165 A HA -0.322 3.998 4.320 -0.000 0.000 0.220 165 A C 2.298 179.914 177.584 0.053 0.000 1.177 165 A CA 2.069 54.119 52.037 0.022 0.000 0.636 165 A CB -1.234 17.789 19.000 0.038 0.000 0.815 165 A HN 0.541 nan 8.150 nan 0.000 0.449 166 F N 1.744 121.686 119.950 -0.013 0.000 2.293 166 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 166 F C 2.572 178.401 175.800 0.049 0.000 1.086 166 F CA 2.171 60.190 58.000 0.032 0.000 1.375 166 F CB -0.345 38.700 39.000 0.075 0.000 1.045 166 F HN 0.341 nan 8.300 nan 0.000 0.516 167 T N -2.909 111.617 114.554 -0.047 0.000 2.942 167 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 167 T C 1.659 176.196 174.700 -0.271 0.000 1.062 167 T CA 1.036 63.034 62.100 -0.170 0.000 1.139 167 T CB -0.556 68.223 68.868 -0.148 0.000 0.883 167 T HN 0.220 nan 8.240 nan 0.000 0.468 168 D N 2.391 122.673 120.400 -0.197 0.000 2.106 168 D HA -0.075 4.565 4.640 -0.000 0.000 0.194 168 D C 2.219 178.409 176.300 -0.183 0.000 0.988 168 D CA 1.712 55.606 54.000 -0.177 0.000 0.845 168 D CB -0.582 40.159 40.800 -0.099 0.000 0.990 168 D HN 0.411 nan 8.370 nan 0.000 0.448 169 S N 0.358 115.965 115.700 -0.154 0.000 2.595 169 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 169 S C 1.503 175.988 174.600 -0.192 0.000 0.974 169 S CA -0.051 58.067 58.200 -0.138 0.000 0.942 169 S CB -0.021 63.127 63.200 -0.087 0.000 0.766 169 S HN 0.091 nan 8.310 nan 0.000 0.536 170 L N 1.468 122.521 121.223 -0.284 0.000 2.592 170 L HA 0.373 4.713 4.340 -0.000 0.000 0.227 170 L C 1.171 177.937 176.870 -0.173 0.000 1.127 170 L CA 0.544 55.218 54.840 -0.277 0.000 0.884 170 L CB -0.171 41.650 42.059 -0.397 0.000 1.065 170 L HN 0.445 nan 8.230 nan 0.000 0.457 171 I N -6.259 114.195 120.570 -0.192 0.000 4.592 171 I HA 0.167 4.337 4.170 -0.000 0.000 0.329 171 I C 1.575 177.619 176.117 -0.122 0.000 1.309 171 I CA 0.754 61.944 61.300 -0.183 0.000 1.243 171 I CB -0.238 37.567 38.000 -0.324 0.000 1.241 171 I HN 0.069 nan 8.210 nan 0.000 0.434 172 T N -1.302 113.187 114.554 -0.107 0.000 3.088 172 T HA 0.069 4.419 4.350 -0.000 0.000 0.259 172 T C 1.640 176.312 174.700 -0.048 0.000 1.122 172 T CA 0.452 62.509 62.100 -0.072 0.000 1.095 172 T CB -0.272 68.558 68.868 -0.064 0.000 0.930 172 T HN 0.179 nan 8.240 nan 0.000 0.508 173 R N 1.640 122.116 120.500 -0.041 0.000 2.568 173 R HA 0.306 4.646 4.340 -0.000 0.000 0.288 173 R C 0.326 176.633 176.300 0.012 0.000 1.077 173 R CA -0.567 55.528 56.100 -0.009 0.000 1.102 173 R CB -1.702 28.598 30.300 -0.000 0.000 1.278 173 R HN 0.332 nan 8.270 nan 0.000 0.560 174 N N -0.670 118.015 118.700 -0.026 0.000 2.782 174 N HA -0.275 4.465 4.740 -0.000 0.000 0.251 174 N C -1.227 174.241 175.510 -0.071 0.000 1.101 174 N CA 0.986 53.998 53.050 -0.063 0.000 0.764 174 N CB -1.395 37.070 38.487 -0.035 0.000 1.122 174 N HN 0.246 nan 8.380 nan 0.000 0.561 175 F N 1.048 120.975 119.950 -0.038 0.000 2.434 175 F HA 0.291 4.818 4.527 -0.000 0.000 0.355 175 F C 0.261 176.017 175.800 -0.073 0.000 1.115 175 F CA -0.536 57.450 58.000 -0.024 0.000 1.010 175 F CB 1.320 40.323 39.000 0.005 0.000 1.234 175 F HN -0.116 nan 8.300 nan 0.000 0.439 176 S N 5.168 120.765 115.700 -0.172 0.000 2.422 176 S HA 0.613 5.083 4.470 -0.000 0.000 0.308 176 S C -0.777 173.943 174.600 0.200 0.000 1.097 176 S CA -0.413 57.745 58.200 -0.070 0.000 1.099 176 S CB 0.140 63.363 63.200 0.039 0.000 0.976 176 S HN 0.793 nan 8.310 nan 0.000 0.471 177 N N 2.985 121.830 118.700 0.243 0.000 2.647 177 N HA 0.323 5.063 4.740 -0.000 0.000 0.266 177 N C 0.087 175.767 175.510 0.282 0.000 1.373 177 N CA -0.987 52.301 53.050 0.398 0.000 0.807 177 N CB 0.076 38.830 38.487 0.445 0.000 1.513 177 N HN 0.341 nan 8.380 nan 0.000 0.505 178 Y N 0.495 120.901 120.300 0.176 0.000 2.151 178 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 178 Y C 2.136 178.020 175.900 -0.027 0.000 1.166 178 Y CA 2.298 60.454 58.100 0.093 0.000 1.163 178 Y CB -0.178 38.268 38.460 -0.024 0.000 0.974 178 Y HN 0.657 nan 8.280 nan 0.000 0.511 179 S N -0.771 114.914 115.700 -0.026 0.000 2.368 179 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 179 S C 2.171 176.338 174.600 -0.722 0.000 1.030 179 S CA 1.541 59.471 58.200 -0.450 0.000 0.999 179 S CB -0.608 62.131 63.200 -0.768 0.000 0.844 179 S HN 0.680 nan 8.310 nan 0.000 0.459 180 S N -0.105 115.272 115.700 -0.538 0.000 2.436 180 S HA -0.021 4.449 4.470 -0.000 0.000 0.228 180 S C 1.469 175.792 174.600 -0.463 0.000 1.014 180 S CA 0.296 58.182 58.200 -0.523 0.000 0.950 180 S CB -0.722 62.291 63.200 -0.311 0.000 0.784 180 S HN 0.694 nan 8.310 nan 0.000 0.504 181 W N 1.366 122.427 121.300 -0.398 0.000 2.436 181 W HA 0.091 4.751 4.660 -0.000 0.000 0.284 181 W C 2.621 178.846 176.519 -0.491 0.000 1.225 181 W CA 0.693 57.661 57.345 -0.629 0.000 1.271 181 W CB -0.519 28.490 29.460 -0.752 0.000 1.114 181 W HN 0.512 nan 8.180 nan 0.000 0.559 182 H N -1.406 117.504 119.070 -0.265 0.000 2.321 182 H HA -0.287 4.269 4.556 -0.000 0.000 0.300 182 H C 2.155 177.420 175.328 -0.106 0.000 1.087 182 H CA 2.229 58.143 56.048 -0.224 0.000 1.319 182 H CB -0.856 28.770 29.762 -0.228 0.000 1.379 182 H HN 0.056 nan 8.280 nan 0.000 0.501 183 Y N 1.886 121.929 120.300 -0.429 0.000 2.114 183 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 183 Y C 2.473 178.222 175.900 -0.250 0.000 1.165 183 Y CA 1.946 59.840 58.100 -0.343 0.000 1.148 183 Y CB -0.533 37.776 38.460 -0.251 0.000 0.972 183 Y HN 0.233 nan 8.280 nan 0.000 0.504 184 R N -0.354 120.056 120.500 -0.151 0.000 2.103 184 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 184 R C 2.568 178.881 176.300 0.022 0.000 1.142 184 R CA 1.831 57.873 56.100 -0.096 0.000 0.960 184 R CB -0.724 29.545 30.300 -0.052 0.000 0.858 184 R HN 0.481 nan 8.270 nan 0.000 0.439 185 S N 0.021 115.704 115.700 -0.028 0.000 2.419 185 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 185 S C 2.075 176.590 174.600 -0.141 0.000 1.019 185 S CA 1.332 59.438 58.200 -0.157 0.000 0.982 185 S CB -0.400 62.415 63.200 -0.642 0.000 0.789 185 S HN 0.412 nan 8.310 nan 0.000 0.490 186 C N 0.615 119.805 119.300 -0.184 0.000 2.504 186 C HA 0.421 4.881 4.460 -0.000 0.000 0.279 186 C C 2.546 177.518 174.990 -0.030 0.000 1.358 186 C CA -0.281 58.685 59.018 -0.087 0.000 1.747 186 C CB -1.391 26.304 27.740 -0.074 0.000 2.037 186 C HN 0.544 nan 8.230 nan 0.000 0.503 187 L N 0.469 121.645 121.223 -0.078 0.000 2.131 187 L HA -0.041 4.299 4.340 -0.000 0.000 0.206 187 L C 2.491 179.342 176.870 -0.031 0.000 1.087 187 L CA 1.133 55.907 54.840 -0.109 0.000 0.767 187 L CB -0.541 41.356 42.059 -0.269 0.000 0.917 187 L HN 0.317 nan 8.230 nan 0.000 0.441 188 L N -0.075 121.180 121.223 0.054 0.000 2.012 188 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 188 L C -0.225 176.721 176.870 0.128 0.000 1.073 188 L CA 1.626 56.552 54.840 0.143 0.000 0.748 188 L CB -1.601 40.611 42.059 0.254 0.000 0.891 188 L HN 0.207 nan 8.230 nan 0.000 0.431 189 P HA -0.170 nan 4.420 nan 0.000 0.220 189 P C 1.266 178.586 177.300 0.035 0.000 1.148 189 P CA 1.188 64.350 63.100 0.102 0.000 0.803 189 P CB 0.012 31.784 31.700 0.120 0.000 0.782 190 Q N -1.498 118.299 119.800 -0.004 0.000 2.378 190 Q HA 0.014 4.354 4.340 -0.000 0.000 0.205 190 Q C 1.649 177.586 176.000 -0.104 0.000 0.954 190 Q CA 0.675 56.453 55.803 -0.043 0.000 0.901 190 Q CB -0.301 28.410 28.738 -0.045 0.000 0.981 190 Q HN 0.250 nan 8.270 nan 0.000 0.483 191 L N -0.321 120.794 121.223 -0.180 0.000 2.554 191 L HA 0.090 4.430 4.340 -0.000 0.000 0.225 191 L C -0.398 176.039 176.870 -0.722 0.000 1.104 191 L CA 0.461 55.047 54.840 -0.424 0.000 0.866 191 L CB 0.649 42.438 42.059 -0.451 0.000 1.047 191 L HN 0.131 nan 8.230 nan 0.000 0.468 192 H N -1.147 117.930 119.070 0.011 0.000 3.277 192 H HA 0.341 4.897 4.556 -0.000 0.000 0.329 192 H C -2.387 172.948 175.328 0.011 0.000 1.034 192 H CA -1.485 54.569 56.048 0.011 0.000 1.530 192 H CB 0.995 30.765 29.762 0.014 0.000 1.837 192 H HN -0.091 nan 8.280 nan 0.000 0.493 193 P HA 0.029 nan 4.420 nan 0.000 0.342 193 P C -0.424 176.902 177.300 0.044 0.000 1.397 193 P CA -0.500 62.632 63.100 0.053 0.000 0.838 193 P CB 0.539 32.256 31.700 0.029 0.000 2.030 194 Q N 0.848 120.663 119.800 0.025 0.000 2.757 194 Q HA 0.035 4.375 4.340 -0.000 0.000 0.366 194 Q C -1.756 174.251 176.000 0.012 0.000 1.083 194 Q CA -0.298 55.513 55.803 0.014 0.000 1.146 194 Q CB -1.610 27.137 28.738 0.014 0.000 1.060 194 Q HN 0.297 nan 8.270 nan 0.000 0.416 195 P HA 0.219 nan 4.420 nan 0.000 0.292 195 P C -0.987 176.327 177.300 0.024 0.000 1.287 195 P CA -0.366 62.739 63.100 0.010 0.000 0.800 195 P CB 1.034 32.738 31.700 0.006 0.000 0.945 196 D N 1.700 122.118 120.400 0.029 0.000 2.513 196 D HA 0.139 4.779 4.640 -0.000 0.000 0.295 196 D C 0.888 177.214 176.300 0.043 0.000 1.202 196 D CA 0.288 54.311 54.000 0.038 0.000 0.849 196 D CB 0.699 41.515 40.800 0.027 0.000 1.116 196 D HN 0.515 nan 8.370 nan 0.000 0.502 197 S N -0.205 115.533 115.700 0.063 0.000 1.552 197 S HA -0.271 4.199 4.470 -0.000 0.000 0.237 197 S C 1.490 176.111 174.600 0.035 0.000 0.756 197 S CA 1.720 59.954 58.200 0.056 0.000 1.349 197 S CB -1.624 61.605 63.200 0.047 0.000 1.675 197 S HN 0.445 nan 8.310 nan 0.000 0.517 198 G N 4.014 112.829 108.800 0.024 0.000 2.792 198 G HA2 0.450 4.410 3.960 -0.000 0.000 0.147 198 G HA3 0.450 4.410 3.960 -0.000 0.000 0.147 198 G C -2.144 172.761 174.900 0.008 0.000 1.838 198 G CA 0.307 45.415 45.100 0.013 0.000 0.980 198 G HN 0.720 nan 8.290 nan 0.000 0.436 199 P HA 0.013 nan 4.420 nan 0.000 0.266 199 P C 0.301 177.598 177.300 -0.005 0.000 1.180 199 P CA 0.473 63.570 63.100 -0.006 0.000 0.765 199 P CB 0.566 32.261 31.700 -0.010 0.000 0.806 200 Q N 1.600 121.392 119.800 -0.015 0.000 2.065 200 Q HA 0.334 4.674 4.340 -0.000 0.000 0.289 200 Q C 0.892 176.865 176.000 -0.044 0.000 0.980 200 Q CA 0.838 56.630 55.803 -0.018 0.000 0.848 200 Q CB -0.818 27.910 28.738 -0.017 0.000 1.433 200 Q HN 0.697 nan 8.270 nan 0.000 0.488 201 G N 0.824 109.582 108.800 -0.070 0.000 2.846 201 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.660 201 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.660 201 G C 0.085 174.888 174.900 -0.161 0.000 1.464 201 G CA 0.415 45.447 45.100 -0.114 0.000 0.891 201 G HN 0.264 nan 8.290 nan 0.000 0.552 202 R N -0.790 119.557 120.500 -0.254 0.000 2.075 202 R HA 0.425 4.765 4.340 -0.000 0.000 0.220 202 R C 1.353 177.520 176.300 -0.222 0.000 1.118 202 R CA 1.441 57.318 56.100 -0.371 0.000 0.986 202 R CB -0.185 29.662 30.300 -0.755 0.000 0.884 202 R HN 0.549 nan 8.270 nan 0.000 0.439 203 L N 0.074 121.193 121.223 -0.174 0.000 2.256 203 L HA 0.533 4.873 4.340 -0.000 0.000 0.261 203 L C -2.204 174.626 176.870 -0.067 0.000 1.022 203 L CA -2.839 51.956 54.840 -0.076 0.000 0.828 203 L CB 1.416 43.442 42.059 -0.056 0.000 1.374 203 L HN -0.098 nan 8.230 nan 0.000 0.436 204 P HA -0.086 nan 4.420 nan 0.000 0.260 204 P C 0.300 177.554 177.300 -0.077 0.000 1.172 204 P CA 0.433 63.502 63.100 -0.051 0.000 0.760 204 P CB 0.455 32.121 31.700 -0.056 0.000 0.773 205 E N 3.701 123.863 120.200 -0.063 0.000 2.118 205 E HA -0.314 4.036 4.350 -0.000 0.000 0.195 205 E C 0.971 177.529 176.600 -0.070 0.000 0.992 205 E CA 1.720 58.081 56.400 -0.065 0.000 0.804 205 E CB -0.184 29.487 29.700 -0.049 0.000 0.741 205 E HN 0.383 nan 8.360 nan 0.000 0.458 206 N N 0.585 119.242 118.700 -0.072 0.000 2.132 206 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 206 N C 1.734 177.174 175.510 -0.115 0.000 1.015 206 N CA 1.528 54.529 53.050 -0.082 0.000 0.864 206 N CB -0.681 37.755 38.487 -0.085 0.000 1.006 206 N HN 0.180 nan 8.380 nan 0.000 0.430 207 V N -0.282 119.537 119.914 -0.159 0.000 2.825 207 V HA 0.124 4.244 4.120 -0.000 0.000 0.246 207 V C 1.834 177.881 176.094 -0.079 0.000 1.068 207 V CA 0.286 62.484 62.300 -0.170 0.000 1.088 207 V CB -0.368 31.269 31.823 -0.310 0.000 0.733 207 V HN 0.193 nan 8.190 nan 0.000 0.468 208 L N 0.906 122.079 121.223 -0.083 0.000 1.990 208 L HA -0.171 4.168 4.340 -0.000 0.000 0.213 208 L C 2.255 179.096 176.870 -0.047 0.000 1.072 208 L CA 2.655 57.447 54.840 -0.080 0.000 0.755 208 L CB -1.020 40.974 42.059 -0.110 0.000 0.889 208 L HN 0.409 nan 8.230 nan 0.000 0.432 209 L N -0.471 120.726 121.223 -0.043 0.000 2.079 209 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 209 L C 2.500 179.369 176.870 -0.003 0.000 1.081 209 L CA 2.068 56.896 54.840 -0.020 0.000 0.752 209 L CB -1.033 41.014 42.059 -0.019 0.000 0.896 209 L HN 0.383 nan 8.230 nan 0.000 0.433 210 K N -0.655 119.741 120.400 -0.006 0.000 2.228 210 K HA -0.066 4.254 4.320 -0.000 0.000 0.202 210 K C 1.836 178.467 176.600 0.051 0.000 1.051 210 K CA 0.757 57.052 56.287 0.013 0.000 0.960 210 K CB -0.162 32.339 32.500 0.002 0.000 0.743 210 K HN 0.064 nan 8.250 nan 0.000 0.458 211 E N 1.177 121.423 120.200 0.077 0.000 2.204 211 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 211 E C 1.971 178.651 176.600 0.133 0.000 0.989 211 E CA 0.773 57.273 56.400 0.166 0.000 0.824 211 E CB -0.117 29.716 29.700 0.222 0.000 0.756 211 E HN 0.385 nan 8.360 nan 0.000 0.477 212 L N 0.612 121.874 121.223 0.065 0.000 2.027 212 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 212 L C 2.231 179.109 176.870 0.014 0.000 1.074 212 L CA 1.382 56.259 54.840 0.063 0.000 0.745 212 L CB -0.338 41.754 42.059 0.055 0.000 0.898 212 L HN 0.062 nan 8.230 nan 0.000 0.433 213 E N -0.080 120.126 120.200 0.010 0.000 2.110 213 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 213 E C 1.992 178.563 176.600 -0.049 0.000 0.988 213 E CA 0.920 57.307 56.400 -0.022 0.000 0.804 213 E CB -0.309 29.390 29.700 -0.002 0.000 0.745 213 E HN 0.180 nan 8.360 nan 0.000 0.458 214 L N 1.539 122.772 121.223 0.016 0.000 1.971 214 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 214 L C 2.482 179.375 176.870 0.038 0.000 1.072 214 L CA 1.981 56.862 54.840 0.069 0.000 0.758 214 L CB -1.000 41.165 42.059 0.176 0.000 0.889 214 L HN 0.234 nan 8.230 nan 0.000 0.433 215 V N -2.362 117.543 119.914 -0.015 0.000 2.343 215 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 215 V C 2.339 177.955 176.094 -0.797 0.000 1.051 215 V CA 1.900 64.010 62.300 -0.317 0.000 1.036 215 V CB -1.226 30.481 31.823 -0.194 0.000 0.654 215 V HN 0.639 nan 8.190 nan 0.000 0.451 216 Q N 0.891 120.118 119.800 -0.955 0.000 2.096 216 Q HA -0.280 4.060 4.340 -0.000 0.000 0.208 216 Q C 2.225 177.545 176.000 -1.133 0.000 0.993 216 Q CA 2.570 57.424 55.803 -1.582 0.000 0.862 216 Q CB -0.390 27.953 28.738 -0.658 0.000 0.915 216 Q HN 0.785 nan 8.270 nan 0.000 0.416 217 N N 0.013 118.414 118.700 -0.498 0.000 2.188 217 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 217 N C 1.504 176.836 175.510 -0.297 0.000 1.018 217 N CA 1.172 54.065 53.050 -0.262 0.000 0.858 217 N CB -0.244 38.173 38.487 -0.116 0.000 0.989 217 N HN 0.279 nan 8.380 nan 0.000 0.426 218 A N 0.755 123.380 122.820 -0.324 0.000 1.883 218 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 218 A C 1.776 179.164 177.584 -0.327 0.000 1.186 218 A CA 1.687 53.600 52.037 -0.207 0.000 0.624 218 A CB -0.983 18.050 19.000 0.055 0.000 0.822 218 A HN 0.483 nan 8.150 nan 0.000 0.444 219 F N -3.256 116.340 119.950 -0.590 0.000 2.664 219 F HA 0.327 4.854 4.527 -0.000 0.000 0.296 219 F C 1.598 177.085 175.800 -0.522 0.000 1.125 219 F CA -0.401 57.094 58.000 -0.842 0.000 1.444 219 F CB -0.901 36.980 39.000 -1.864 0.000 1.114 219 F HN 0.140 nan 8.300 nan 0.000 0.576 220 F N 0.752 120.554 119.950 -0.248 0.000 2.615 220 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 220 F C 2.109 177.883 175.800 -0.043 0.000 1.124 220 F CA 0.769 58.735 58.000 -0.056 0.000 1.451 220 F CB -0.248 38.697 39.000 -0.091 0.000 1.103 220 F HN -0.022 nan 8.300 nan 0.000 0.569 221 T N -1.718 112.869 114.554 0.054 0.000 2.939 221 T HA -0.104 4.246 4.350 -0.000 0.000 0.254 221 T C 0.173 174.888 174.700 0.026 0.000 1.041 221 T CA 0.978 63.092 62.100 0.025 0.000 1.142 221 T CB -0.130 68.719 68.868 -0.032 0.000 0.874 221 T HN -0.022 nan 8.240 nan 0.000 0.452 222 D N 1.037 121.440 120.400 0.005 0.000 2.378 222 D HA 0.270 4.910 4.640 -0.000 0.000 0.265 222 D C -2.040 174.310 176.300 0.084 0.000 1.229 222 D CA -2.328 51.691 54.000 0.032 0.000 0.914 222 D CB 1.446 42.229 40.800 -0.030 0.000 1.140 222 D HN -0.076 nan 8.370 nan 0.000 0.516 223 P HA -0.124 nan 4.420 nan 0.000 0.222 223 P C 0.717 178.281 177.300 0.440 0.000 1.142 223 P CA 0.755 64.081 63.100 0.376 0.000 0.788 223 P CB 0.359 32.294 31.700 0.391 0.000 0.767 224 N N -0.275 118.583 118.700 0.264 0.000 2.422 224 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 224 N C 0.374 175.978 175.510 0.156 0.000 1.080 224 N CA 0.312 53.510 53.050 0.246 0.000 0.893 224 N CB -0.307 38.297 38.487 0.195 0.000 0.973 224 N HN 0.136 nan 8.380 nan 0.000 0.456 225 D N 2.354 122.813 120.400 0.097 0.000 2.359 225 D HA -0.085 4.555 4.640 -0.000 0.000 0.273 225 D C 1.585 177.885 176.300 -0.000 0.000 1.362 225 D CA 0.147 54.161 54.000 0.023 0.000 1.010 225 D CB 0.406 41.179 40.800 -0.046 0.000 1.090 225 D HN 0.318 nan 8.370 nan 0.000 0.521 226 Q N 2.315 122.059 119.800 -0.093 0.000 2.119 226 Q HA -0.187 4.153 4.340 -0.000 0.000 0.201 226 Q C 1.495 177.516 176.000 0.035 0.000 0.972 226 Q CA 1.459 57.028 55.803 -0.390 0.000 0.847 226 Q CB -0.338 27.945 28.738 -0.759 0.000 0.903 226 Q HN 0.433 nan 8.270 nan 0.000 0.433 227 S N 0.905 116.732 115.700 0.211 0.000 2.399 227 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 227 S C 2.152 176.740 174.600 -0.020 0.000 1.022 227 S CA 0.909 59.293 58.200 0.308 0.000 0.983 227 S CB -0.422 63.016 63.200 0.396 0.000 0.803 227 S HN 0.544 nan 8.310 nan 0.000 0.480 228 A N 1.031 123.757 122.820 -0.156 0.000 1.898 228 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 228 A C 1.910 179.382 177.584 -0.188 0.000 1.181 228 A CA 1.163 52.908 52.037 -0.486 0.000 0.620 228 A CB -1.297 17.503 19.000 -0.332 0.000 0.819 228 A HN 0.758 nan 8.150 nan 0.000 0.442 229 W N -1.378 119.836 121.300 -0.143 0.000 2.381 229 W HA -0.057 4.603 4.660 -0.000 0.000 0.301 229 W C 1.967 178.463 176.519 -0.038 0.000 1.205 229 W CA 0.527 57.748 57.345 -0.207 0.000 1.285 229 W CB -0.577 28.683 29.460 -0.334 0.000 1.133 229 W HN 0.326 nan 8.180 nan 0.000 0.521 230 F N -1.450 118.602 119.950 0.171 0.000 2.134 230 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 230 F C 2.301 178.213 175.800 0.186 0.000 1.097 230 F CA 1.609 59.741 58.000 0.220 0.000 1.264 230 F CB -1.340 37.837 39.000 0.295 0.000 1.001 230 F HN -0.129 nan 8.300 nan 0.000 0.479 231 Y N -0.272 120.095 120.300 0.112 0.000 2.242 231 Y HA -0.275 4.275 4.550 -0.000 0.000 0.291 231 Y C 2.736 178.721 175.900 0.141 0.000 1.137 231 Y CA 2.048 60.154 58.100 0.010 0.000 1.181 231 Y CB -0.756 37.489 38.460 -0.359 0.000 0.989 231 Y HN 0.172 nan 8.280 nan 0.000 0.527 232 H N 0.005 119.101 119.070 0.043 0.000 2.353 232 H HA -0.155 4.400 4.556 -0.000 0.000 0.300 232 H C 2.550 177.912 175.328 0.056 0.000 1.090 232 H CA 2.160 58.232 56.048 0.040 0.000 1.327 232 H CB -0.192 29.664 29.762 0.158 0.000 1.383 232 H HN 0.286 nan 8.280 nan 0.000 0.508 233 R N -0.834 119.764 120.500 0.163 0.000 2.083 233 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 233 R C 2.092 178.433 176.300 0.068 0.000 1.137 233 R CA 1.769 57.926 56.100 0.096 0.000 0.951 233 R CB -0.724 29.686 30.300 0.184 0.000 0.851 233 R HN 0.530 nan 8.270 nan 0.000 0.434 234 W N 1.249 122.508 121.300 -0.068 0.000 2.325 234 W HA -0.201 4.459 4.660 -0.000 0.000 0.299 234 W C 1.507 177.907 176.519 -0.198 0.000 1.215 234 W CA 1.550 58.830 57.345 -0.109 0.000 1.244 234 W CB -0.351 29.022 29.460 -0.144 0.000 1.140 234 W HN 0.112 nan 8.180 nan 0.000 0.523 235 L N -0.035 120.978 121.223 -0.349 0.000 2.131 235 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 235 L C 1.862 178.462 176.870 -0.450 0.000 1.092 235 L CA 0.495 55.001 54.840 -0.556 0.000 0.759 235 L CB -0.942 40.879 42.059 -0.397 0.000 0.903 235 L HN -0.100 nan 8.230 nan 0.000 0.435 236 L N 0.502 121.507 121.223 -0.363 0.000 2.869 236 L HA 0.158 4.498 4.340 -0.000 0.000 0.259 236 L C 0.915 177.668 176.870 -0.196 0.000 1.162 236 L CA 0.728 55.408 54.840 -0.267 0.000 0.975 236 L CB -1.552 40.366 42.059 -0.236 0.000 1.217 236 L HN 0.315 nan 8.230 nan 0.000 0.418 237 G N -0.956 107.695 108.800 -0.248 0.000 2.603 237 G HA2 0.135 4.095 3.960 -0.000 0.000 0.686 237 G HA3 0.135 4.095 3.960 -0.000 0.000 0.686 237 G C -0.961 173.864 174.900 -0.125 0.000 1.286 237 G CA -0.760 44.233 45.100 -0.179 0.000 0.871 237 G HN 0.287 nan 8.290 nan 0.000 0.568 238 R N -2.117 118.348 120.500 -0.058 0.000 4.435 238 R HA 0.508 4.848 4.340 -0.000 0.000 0.189 238 R C 1.307 177.632 176.300 0.042 0.000 0.788 238 R CA 1.806 57.922 56.100 0.027 0.000 0.717 238 R CB -1.326 29.023 30.300 0.082 0.000 1.405 238 R HN 3.049 nan 8.270 nan 0.000 0.427 239 A N -0.221 122.660 122.820 0.103 0.000 2.070 239 A HA -0.387 3.933 4.320 -0.000 0.000 0.231 239 A C 1.587 179.237 177.584 0.110 0.000 0.501 239 A CA 2.430 54.541 52.037 0.122 0.000 1.119 239 A CB -1.519 17.567 19.000 0.142 0.000 1.430 239 A HN 0.779 nan 8.150 nan 0.000 0.706 240 E N 0.324 120.569 120.200 0.074 0.000 2.095 240 E HA -0.159 4.191 4.350 -0.000 0.000 0.212 240 E C -1.184 175.494 176.600 0.129 0.000 1.044 240 E CA 1.721 58.165 56.400 0.074 0.000 0.857 240 E CB -2.279 27.439 29.700 0.030 0.000 0.764 240 E HN 0.689 nan 8.360 nan 0.000 0.462 241 P HA -0.094 nan 4.420 nan 0.000 0.249 241 P C 0.167 177.582 177.300 0.191 0.000 1.140 241 P CA 0.859 64.041 63.100 0.138 0.000 0.803 241 P CB -0.193 31.556 31.700 0.082 0.000 0.745 242 H N 2.681 121.794 119.070 0.072 0.000 3.047 242 H HA 0.383 4.939 4.556 -0.000 0.000 0.253 242 H C 0.669 176.059 175.328 0.103 0.000 1.587 242 H CA -0.005 56.094 56.048 0.086 0.000 1.652 242 H CB -0.297 29.516 29.762 0.083 0.000 1.618 242 H HN 0.388 nan 8.280 nan 0.000 0.956 243 D N -0.570 119.786 120.400 -0.072 0.000 3.608 243 D HA -0.325 4.315 4.640 -0.000 0.000 0.152 243 D C -0.233 176.071 176.300 0.007 0.000 0.971 243 D CA 1.777 55.733 54.000 -0.073 0.000 1.072 243 D CB -1.346 39.243 40.800 -0.352 0.000 0.507 243 D HN 0.912 nan 8.370 nan 0.000 0.520 244 V N -1.419 118.498 119.914 0.005 0.000 3.964 244 V HA -0.191 3.929 4.120 -0.000 0.000 0.444 244 V C 0.326 176.451 176.094 0.051 0.000 0.680 244 V CA 0.630 62.939 62.300 0.015 0.000 1.854 244 V CB -0.893 30.924 31.823 -0.011 0.000 2.264 244 V HN 0.595 nan 8.190 nan 0.000 0.491 245 L N 5.661 126.882 121.223 -0.004 0.000 2.660 245 L HA -0.031 4.309 4.340 -0.000 0.000 0.272 245 L C 1.638 178.447 176.870 -0.101 0.000 1.194 245 L CA 0.784 55.509 54.840 -0.191 0.000 0.945 245 L CB 0.298 42.255 42.059 -0.171 0.000 1.212 245 L HN 1.024 nan 8.230 nan 0.000 0.490 246 C N 0.882 120.123 119.300 -0.099 0.000 2.590 246 C HA 0.283 4.743 4.460 -0.000 0.000 0.272 246 C C 0.799 175.761 174.990 -0.048 0.000 1.338 246 C CA -0.852 58.135 59.018 -0.052 0.000 1.746 246 C CB -0.551 27.174 27.740 -0.025 0.000 2.020 246 C HN 0.827 nan 8.230 nan 0.000 0.531 247 C N 1.750 121.006 119.300 -0.073 0.000 2.880 247 C HA 0.775 5.235 4.460 -0.000 0.000 0.320 247 C C -0.664 174.318 174.990 -0.013 0.000 1.176 247 C CA -0.147 58.859 59.018 -0.019 0.000 1.390 247 C CB 0.943 28.669 27.740 -0.023 0.000 1.846 247 C HN 0.781 nan 8.230 nan 0.000 0.478 248 V N 3.943 123.896 119.914 0.065 0.000 2.680 248 V HA 0.720 4.840 4.120 -0.000 0.000 0.309 248 V C -0.738 175.471 176.094 0.191 0.000 1.052 248 V CA -0.189 62.166 62.300 0.093 0.000 0.908 248 V CB 1.655 33.527 31.823 0.082 0.000 1.001 248 V HN 1.094 nan 8.190 nan 0.000 0.431 249 H N 3.008 122.118 119.070 0.065 0.000 2.851 249 H HA 0.788 5.344 4.556 -0.000 0.000 0.372 249 H C -1.867 173.454 175.328 -0.012 0.000 1.158 249 H CA -0.264 55.843 56.048 0.098 0.000 1.159 249 H CB 2.451 32.260 29.762 0.077 0.000 1.757 249 H HN 0.970 nan 8.280 nan 0.000 0.546 250 V N 3.052 122.594 119.914 -0.619 0.000 2.638 250 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 250 V C -1.167 174.566 176.094 -0.603 0.000 1.052 250 V CA -0.367 61.609 62.300 -0.540 0.000 0.885 250 V CB 1.680 33.076 31.823 -0.713 0.000 0.999 250 V HN 0.729 nan 8.190 nan 0.000 0.424 251 S N 5.345 120.886 115.700 -0.265 0.000 2.433 251 S HA 0.455 4.925 4.470 -0.000 0.000 0.310 251 S C 0.815 175.379 174.600 -0.061 0.000 1.097 251 S CA -0.345 57.796 58.200 -0.098 0.000 1.103 251 S CB 1.447 64.718 63.200 0.118 0.000 0.992 251 S HN 1.019 nan 8.310 nan 0.000 0.469 252 R N 3.240 123.717 120.500 -0.038 0.000 2.070 252 R HA -0.117 4.223 4.340 -0.000 0.000 0.233 252 R C 2.001 178.306 176.300 0.009 0.000 1.137 252 R CA 2.133 58.230 56.100 -0.004 0.000 0.945 252 R CB -0.443 29.867 30.300 0.017 0.000 0.845 252 R HN 0.916 nan 8.270 nan 0.000 0.430 253 E N 0.390 120.601 120.200 0.018 0.000 2.021 253 E HA -0.218 4.132 4.350 -0.000 0.000 0.200 253 E C 1.359 177.969 176.600 0.016 0.000 1.015 253 E CA 1.780 58.192 56.400 0.021 0.000 0.824 253 E CB 0.002 29.719 29.700 0.030 0.000 0.762 253 E HN 0.371 nan 8.360 nan 0.000 0.454 254 E N -0.252 119.961 120.200 0.022 0.000 2.516 254 E HA -0.009 4.341 4.350 -0.000 0.000 0.199 254 E C 0.571 177.174 176.600 0.005 0.000 1.069 254 E CA 0.649 57.059 56.400 0.017 0.000 0.876 254 E CB 0.140 29.858 29.700 0.030 0.000 0.843 254 E HN 0.428 nan 8.360 nan 0.000 0.530 255 A N 0.749 123.567 122.820 -0.004 0.000 2.610 255 A HA -0.223 4.097 4.320 -0.000 0.000 0.299 255 A C 0.166 177.735 177.584 -0.025 0.000 1.487 255 A CA 0.938 52.967 52.037 -0.014 0.000 0.743 255 A CB -2.506 16.489 19.000 -0.009 0.000 1.070 255 A HN 0.413 nan 8.150 nan 0.000 0.439 256 C N 0.787 120.066 119.300 -0.035 0.000 2.811 256 C HA 0.656 5.116 4.460 -0.000 0.000 0.352 256 C C -0.797 174.166 174.990 -0.046 0.000 1.098 256 C CA -0.603 58.399 59.018 -0.028 0.000 1.295 256 C CB 1.160 28.909 27.740 0.014 0.000 1.758 256 C HN 1.524 nan 8.230 nan 0.000 0.488 257 L N 5.521 126.712 121.223 -0.053 0.000 2.282 257 L HA 0.741 5.081 4.340 -0.000 0.000 0.288 257 L C -0.018 176.938 176.870 0.143 0.000 1.033 257 L CA 0.715 55.545 54.840 -0.017 0.000 0.807 257 L CB 1.535 43.557 42.059 -0.061 0.000 1.209 257 L HN 0.824 nan 8.230 nan 0.000 0.423 258 S N 3.553 119.364 115.700 0.185 0.000 2.537 258 S HA 0.854 5.324 4.470 -0.000 0.000 0.301 258 S C -0.816 173.889 174.600 0.175 0.000 1.092 258 S CA -0.623 57.701 58.200 0.208 0.000 1.048 258 S CB 2.096 65.380 63.200 0.140 0.000 1.053 258 S HN 0.468 nan 8.310 nan 0.000 0.501 259 V N 1.228 121.223 119.914 0.135 0.000 2.841 259 V HA 0.514 4.634 4.120 -0.000 0.000 0.310 259 V C -0.858 175.170 176.094 -0.110 0.000 1.090 259 V CA -0.516 61.753 62.300 -0.050 0.000 0.930 259 V CB 1.914 33.629 31.823 -0.180 0.000 1.014 259 V HN 1.066 nan 8.190 nan 0.000 0.425 260 C N 4.001 123.187 119.300 -0.191 0.000 2.507 260 C HA 0.742 5.202 4.460 -0.000 0.000 0.319 260 C C -0.475 174.366 174.990 -0.248 0.000 1.208 260 C CA -0.855 58.101 59.018 -0.102 0.000 1.619 260 C CB 1.112 28.840 27.740 -0.021 0.000 2.230 260 C HN 0.710 nan 8.230 nan 0.000 0.492 261 F N 1.100 121.074 119.950 0.040 0.000 2.483 261 F HA 0.360 4.887 4.527 -0.000 0.000 0.329 261 F C 1.571 177.436 175.800 0.108 0.000 1.064 261 F CA -0.399 57.575 58.000 -0.044 0.000 0.986 261 F CB 1.384 40.254 39.000 -0.216 0.000 1.218 261 F HN 0.633 nan 8.300 nan 0.000 0.484 262 S N 0.142 115.998 115.700 0.259 0.000 2.561 262 S HA 0.098 4.568 4.470 -0.000 0.000 0.225 262 S C 0.263 175.041 174.600 0.298 0.000 0.977 262 S CA -0.106 58.246 58.200 0.255 0.000 0.926 262 S CB -0.581 62.708 63.200 0.148 0.000 0.769 262 S HN 0.673 nan 8.310 nan 0.000 0.533 263 R N -0.286 120.311 120.500 0.161 0.000 2.808 263 R HA 0.647 4.987 4.340 -0.000 0.000 0.272 263 R C -3.620 172.420 176.300 -0.434 0.000 0.995 263 R CA -2.626 53.431 56.100 -0.072 0.000 0.917 263 R CB -0.169 30.112 30.300 -0.032 0.000 1.217 263 R HN -0.098 nan 8.270 nan 0.000 0.471 264 P HA 0.072 nan 4.420 nan 0.000 0.265 264 P C -0.848 176.301 177.300 -0.252 0.000 1.222 264 P CA 0.207 63.033 63.100 -0.456 0.000 0.767 264 P CB 0.419 31.925 31.700 -0.323 0.000 0.801 265 L N 2.589 123.663 121.223 -0.248 0.000 2.333 265 L HA 0.517 4.857 4.340 -0.000 0.000 0.263 265 L C 0.307 177.100 176.870 -0.128 0.000 1.014 265 L CA -0.712 53.914 54.840 -0.356 0.000 0.820 265 L CB 2.295 43.703 42.059 -1.085 0.000 1.352 265 L HN 0.109 nan 8.230 nan 0.000 0.421 266 T N 1.326 115.801 114.554 -0.131 0.000 2.753 266 T HA 0.317 4.667 4.350 -0.000 0.000 0.297 266 T C -0.090 174.379 174.700 -0.386 0.000 0.981 266 T CA -0.316 61.747 62.100 -0.062 0.000 0.956 266 T CB 1.207 70.117 68.868 0.070 0.000 0.936 266 T HN 0.157 nan 8.240 nan 0.000 0.463 267 V N 3.328 122.569 119.914 -1.121 0.000 2.572 267 V HA 0.456 4.576 4.120 -0.000 0.000 0.291 267 V C 1.237 177.133 176.094 -0.331 0.000 1.039 267 V CA 0.601 62.389 62.300 -0.854 0.000 1.055 267 V CB 0.626 31.621 31.823 -1.380 0.000 0.969 267 V HN 1.204 nan 8.190 nan 0.000 0.482 268 G N 3.749 112.476 108.800 -0.123 0.000 2.370 268 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.268 268 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.268 268 G C -0.002 174.876 174.900 -0.036 0.000 1.122 268 G CA 0.320 45.386 45.100 -0.056 0.000 0.963 268 G HN 1.395 nan 8.290 nan 0.000 0.500 269 S N -1.813 113.856 115.700 -0.053 0.000 2.903 269 S HA 0.814 5.284 4.470 -0.000 0.000 0.314 269 S C 1.203 175.766 174.600 -0.062 0.000 1.177 269 S CA 0.313 58.495 58.200 -0.031 0.000 0.859 269 S CB 1.487 64.683 63.200 -0.008 0.000 1.265 269 S HN 0.832 nan 8.310 nan 0.000 0.584 270 R N 0.199 120.674 120.500 -0.042 0.000 2.148 270 R HA 0.067 4.407 4.340 -0.000 0.000 0.230 270 R C 0.838 177.080 176.300 -0.097 0.000 1.120 270 R CA 2.132 58.199 56.100 -0.055 0.000 0.902 270 R CB -1.137 29.145 30.300 -0.029 0.000 0.839 270 R HN 0.631 nan 8.270 nan 0.000 0.431 271 M N 1.004 120.555 119.600 -0.080 0.000 2.974 271 M HA 0.319 4.799 4.480 -0.000 0.000 0.301 271 M C -0.720 175.385 176.300 -0.324 0.000 1.409 271 M CA 0.248 55.464 55.300 -0.140 0.000 1.515 271 M CB 0.155 32.727 32.600 -0.046 0.000 1.163 271 M HN 0.530 nan 8.290 nan 0.000 0.520 272 G N 0.646 109.135 108.800 -0.519 0.000 2.640 272 G HA2 0.102 4.062 3.960 -0.000 0.000 0.686 272 G HA3 0.102 4.062 3.960 -0.000 0.000 0.686 272 G C -0.858 173.604 174.900 -0.730 0.000 1.229 272 G CA -0.502 43.936 45.100 -1.103 0.000 0.796 272 G HN 0.684 nan 8.290 nan 0.000 0.654 273 T N 0.010 114.166 114.554 -0.664 0.000 2.812 273 T HA 0.728 5.078 4.350 -0.000 0.000 0.294 273 T C -0.572 174.101 174.700 -0.044 0.000 1.159 273 T CA -0.641 61.351 62.100 -0.179 0.000 1.008 273 T CB 1.229 70.041 68.868 -0.092 0.000 1.289 273 T HN 0.861 nan 8.240 nan 0.000 0.514 274 L N 2.593 123.790 121.223 -0.044 0.000 2.289 274 L HA 0.589 4.929 4.340 -0.000 0.000 0.285 274 L C -0.606 176.369 176.870 0.175 0.000 1.049 274 L CA -0.719 54.078 54.840 -0.072 0.000 0.804 274 L CB 1.099 42.661 42.059 -0.830 0.000 1.195 274 L HN 0.429 nan 8.230 nan 0.000 0.428 275 L N 4.277 125.617 121.223 0.195 0.000 2.329 275 L HA 0.517 4.857 4.340 -0.000 0.000 0.279 275 L C -0.763 176.286 176.870 0.299 0.000 1.014 275 L CA -0.751 54.236 54.840 0.245 0.000 0.814 275 L CB 2.070 44.207 42.059 0.131 0.000 1.257 275 L HN 0.361 nan 8.230 nan 0.000 0.424 276 L N 4.230 125.641 121.223 0.314 0.000 2.322 276 L HA 0.585 4.925 4.340 -0.000 0.000 0.281 276 L C -0.646 176.320 176.870 0.160 0.000 1.014 276 L CA -0.321 54.686 54.840 0.279 0.000 0.815 276 L CB 1.528 43.767 42.059 0.300 0.000 1.247 276 L HN 0.452 nan 8.230 nan 0.000 0.421 277 M N 5.810 125.487 119.600 0.130 0.000 2.227 277 M HA 0.466 4.946 4.480 -0.000 0.000 0.335 277 M C -0.782 175.530 176.300 0.020 0.000 1.053 277 M CA -0.583 54.754 55.300 0.062 0.000 0.973 277 M CB 1.488 34.119 32.600 0.051 0.000 1.623 277 M HN 0.235 nan 8.290 nan 0.000 0.434 278 V N 3.199 123.076 119.914 -0.062 0.000 2.472 278 V HA 0.295 4.415 4.120 -0.000 0.000 0.290 278 V C 0.375 176.366 176.094 -0.172 0.000 1.037 278 V CA -0.465 61.694 62.300 -0.235 0.000 0.908 278 V CB 1.402 33.027 31.823 -0.330 0.000 0.985 278 V HN 0.921 nan 8.190 nan 0.000 0.454 279 D N 2.788 123.078 120.400 -0.183 0.000 2.792 279 D HA -0.186 4.454 4.640 -0.000 0.000 0.231 279 D C 0.767 177.036 176.300 -0.053 0.000 1.160 279 D CA 1.256 55.204 54.000 -0.087 0.000 0.697 279 D CB -0.522 40.253 40.800 -0.041 0.000 1.070 279 D HN 0.930 nan 8.370 nan 0.000 0.426 280 E N -3.822 116.351 120.200 -0.045 0.000 2.868 280 E HA -0.226 4.124 4.350 -0.000 0.000 0.278 280 E C 0.126 176.717 176.600 -0.014 0.000 1.009 280 E CA 1.340 57.729 56.400 -0.018 0.000 0.856 280 E CB -1.817 27.874 29.700 -0.015 0.000 1.428 280 E HN 0.670 nan 8.360 nan 0.000 0.423 281 A N 0.477 123.285 122.820 -0.021 0.000 2.413 281 A HA 0.733 5.053 4.320 -0.000 0.000 0.307 281 A C -2.486 175.094 177.584 -0.005 0.000 1.087 281 A CA -1.466 50.564 52.037 -0.012 0.000 0.750 281 A CB 1.611 20.600 19.000 -0.017 0.000 1.296 281 A HN -0.093 nan 8.150 nan 0.000 0.423 282 P HA 0.263 nan 4.420 nan 0.000 0.266 282 P C -1.053 176.254 177.300 0.011 0.000 1.195 282 P CA 0.170 63.283 63.100 0.021 0.000 0.768 282 P CB 0.816 32.531 31.700 0.024 0.000 0.838 283 L N 2.331 123.570 121.223 0.026 0.000 2.406 283 L HA 0.435 4.775 4.340 -0.000 0.000 0.272 283 L C -0.262 176.621 176.870 0.020 0.000 0.980 283 L CA -0.491 54.355 54.840 0.010 0.000 0.831 283 L CB 1.893 43.955 42.059 0.004 0.000 1.253 283 L HN 0.359 nan 8.230 nan 0.000 0.406 284 S N 4.574 120.277 115.700 0.006 0.000 2.537 284 S HA 0.843 5.313 4.470 -0.000 0.000 0.275 284 S C -0.569 174.008 174.600 -0.038 0.000 1.272 284 S CA 0.048 58.253 58.200 0.009 0.000 1.050 284 S CB 0.639 63.846 63.200 0.013 0.000 0.961 284 S HN 1.073 nan 8.310 nan 0.000 0.496 285 V N 2.021 121.891 119.914 -0.073 0.000 3.120 285 V HA 0.654 4.774 4.120 -0.000 0.000 0.303 285 V C -0.898 175.071 176.094 -0.207 0.000 1.238 285 V CA -1.043 61.132 62.300 -0.209 0.000 1.008 285 V CB 1.630 33.188 31.823 -0.442 0.000 1.064 285 V HN 0.916 nan 8.190 nan 0.000 0.434 286 E N 1.992 122.076 120.200 -0.194 0.000 2.109 286 E HA 0.420 4.770 4.350 -0.000 0.000 0.278 286 E C -1.449 175.099 176.600 -0.087 0.000 0.954 286 E CA -0.602 55.767 56.400 -0.053 0.000 0.779 286 E CB 0.922 30.631 29.700 0.016 0.000 1.093 286 E HN 0.712 nan 8.360 nan 0.000 0.401 287 W N 4.194 125.600 121.300 0.177 0.000 2.375 287 W HA 0.386 5.046 4.660 -0.000 0.000 0.336 287 W C 0.580 177.330 176.519 0.386 0.000 1.160 287 W CA -0.377 57.135 57.345 0.278 0.000 1.266 287 W CB 0.906 30.544 29.460 0.297 0.000 1.195 287 W HN 0.519 nan 8.180 nan 0.000 0.599 288 R N -0.230 120.660 120.500 0.651 0.000 2.795 288 R HA 0.765 5.105 4.340 -0.000 0.000 0.268 288 R C -1.105 175.239 176.300 0.073 0.000 1.041 288 R CA -1.002 55.327 56.100 0.382 0.000 0.927 288 R CB 1.557 31.959 30.300 0.170 0.000 1.235 288 R HN 0.285 nan 8.270 nan 0.000 0.463 289 T N 0.131 114.502 114.554 -0.305 0.000 2.944 289 T HA 0.340 4.690 4.350 -0.000 0.000 0.284 289 T C -1.995 172.572 174.700 -0.222 0.000 1.010 289 T CA -2.293 59.479 62.100 -0.546 0.000 1.025 289 T CB 1.581 69.906 68.868 -0.906 0.000 1.079 289 T HN 0.412 nan 8.240 nan 0.000 0.516 290 P HA -0.091 nan 4.420 nan 0.000 0.218 290 P C 0.794 178.046 177.300 -0.080 0.000 1.148 290 P CA 0.881 63.925 63.100 -0.093 0.000 0.822 290 P CB 0.128 31.775 31.700 -0.089 0.000 0.784 291 D N -2.157 118.181 120.400 -0.103 0.000 2.340 291 D HA 0.066 4.706 4.640 -0.000 0.000 0.220 291 D C 1.481 177.747 176.300 -0.056 0.000 1.039 291 D CA 0.670 54.627 54.000 -0.072 0.000 0.866 291 D CB -1.043 39.713 40.800 -0.073 0.000 0.913 291 D HN 0.175 nan 8.370 nan 0.000 0.523 292 G N 0.526 109.288 108.800 -0.063 0.000 2.189 292 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.267 292 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.267 292 G C 0.304 175.195 174.900 -0.016 0.000 0.975 292 G CA 0.208 45.293 45.100 -0.026 0.000 0.644 292 G HN 0.468 nan 8.290 nan 0.000 0.537 293 R N 0.281 120.757 120.500 -0.040 0.000 2.390 293 R HA 0.280 4.620 4.340 -0.000 0.000 0.291 293 R C -0.202 176.092 176.300 -0.010 0.000 1.070 293 R CA -0.451 55.640 56.100 -0.014 0.000 1.014 293 R CB 0.305 30.593 30.300 -0.021 0.000 1.007 293 R HN 0.091 nan 8.270 nan 0.000 0.466 294 N N 3.786 122.529 118.700 0.073 0.000 3.131 294 N HA 0.025 4.765 4.740 -0.000 0.000 0.312 294 N C -0.151 175.482 175.510 0.206 0.000 1.433 294 N CA -0.062 53.074 53.050 0.143 0.000 1.141 294 N CB 0.427 39.141 38.487 0.378 0.000 1.431 294 N HN 0.473 nan 8.380 nan 0.000 0.523 295 R N -0.348 120.188 120.500 0.061 0.000 2.549 295 R HA 0.544 4.884 4.340 -0.000 0.000 0.267 295 R C -2.663 173.711 176.300 0.123 0.000 1.045 295 R CA -1.380 54.781 56.100 0.102 0.000 1.115 295 R CB -0.296 30.031 30.300 0.045 0.000 1.121 295 R HN -0.161 nan 8.270 nan 0.000 0.543 296 P HA -0.044 nan 4.420 nan 0.000 0.263 296 P C -0.909 176.451 177.300 0.100 0.000 1.175 296 P CA 0.511 63.705 63.100 0.157 0.000 0.761 296 P CB 0.749 32.484 31.700 0.058 0.000 0.794 297 S N 1.013 116.829 115.700 0.192 0.000 2.565 297 S HA 0.317 4.787 4.470 -0.000 0.000 0.269 297 S C 0.280 174.986 174.600 0.176 0.000 1.153 297 S CA -0.459 57.784 58.200 0.071 0.000 0.835 297 S CB 0.445 63.512 63.200 -0.222 0.000 1.122 297 S HN 0.450 nan 8.310 nan 0.000 0.462 298 H N 0.656 119.814 119.070 0.147 0.000 2.436 298 H HA 0.276 4.832 4.556 -0.000 0.000 0.294 298 H C 0.698 176.192 175.328 0.278 0.000 1.048 298 H CA 1.384 57.567 56.048 0.226 0.000 1.353 298 H CB 0.326 30.162 29.762 0.123 0.000 1.414 298 H HN 0.203 nan 8.280 nan 0.000 0.536 299 V N 0.651 120.701 119.914 0.225 0.000 2.417 299 V HA 0.351 4.471 4.120 -0.000 0.000 0.291 299 V C -1.603 174.444 176.094 -0.080 0.000 1.024 299 V CA -0.562 61.809 62.300 0.119 0.000 0.861 299 V CB 0.795 32.634 31.823 0.028 0.000 0.985 299 V HN 0.313 nan 8.190 nan 0.000 0.436 300 W N 6.595 127.969 121.300 0.124 0.000 2.882 300 W HA 0.833 5.493 4.660 -0.000 0.000 0.345 300 W C -0.809 175.882 176.519 0.287 0.000 1.125 300 W CA -0.705 56.762 57.345 0.203 0.000 1.167 300 W CB 2.119 31.699 29.460 0.200 0.000 1.431 300 W HN 0.581 nan 8.180 nan 0.000 0.543 301 L N 1.273 122.855 121.223 0.599 0.000 2.540 301 L HA 0.873 5.213 4.340 -0.000 0.000 0.256 301 L C -0.567 176.484 176.870 0.302 0.000 1.001 301 L CA -1.529 53.569 54.840 0.430 0.000 0.843 301 L CB 0.416 42.592 42.059 0.195 0.000 1.436 301 L HN 0.717 nan 8.230 nan 0.000 0.410 302 C N -1.556 117.744 119.300 -0.000 0.000 3.213 302 C HA 0.840 5.300 4.460 -0.000 0.000 0.319 302 C C -0.767 174.133 174.990 -0.149 0.000 1.386 302 C CA -0.537 58.333 59.018 -0.248 0.000 1.494 302 C CB 2.182 29.416 27.740 -0.844 0.000 1.905 302 C HN 0.852 nan 8.230 nan 0.000 0.456 303 D N 1.277 121.592 120.400 -0.143 0.000 2.175 303 D HA 0.620 5.260 4.640 -0.000 0.000 0.248 303 D C -0.628 175.618 176.300 -0.090 0.000 1.047 303 D CA 0.010 53.958 54.000 -0.086 0.000 0.883 303 D CB 1.676 42.442 40.800 -0.057 0.000 1.180 303 D HN 0.333 nan 8.370 nan 0.000 0.438 304 L N 3.119 124.312 121.223 -0.050 0.000 2.325 304 L HA 0.446 4.786 4.340 -0.000 0.000 0.278 304 L C -2.062 174.797 176.870 -0.018 0.000 1.023 304 L CA -2.135 52.694 54.840 -0.018 0.000 0.811 304 L CB 0.879 42.956 42.059 0.030 0.000 1.249 304 L HN 0.125 nan 8.230 nan 0.000 0.431 305 P HA 0.217 nan 4.420 nan 0.000 0.277 305 P C 0.148 177.430 177.300 -0.030 0.000 1.240 305 P CA -0.457 62.626 63.100 -0.028 0.000 0.798 305 P CB 0.843 32.522 31.700 -0.034 0.000 0.979 306 A N 2.544 125.348 122.820 -0.026 0.000 1.940 306 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 306 A C 2.153 179.709 177.584 -0.046 0.000 1.176 306 A CA 2.128 54.151 52.037 -0.024 0.000 0.631 306 A CB -1.554 17.437 19.000 -0.014 0.000 0.814 306 A HN 0.592 nan 8.150 nan 0.000 0.446 307 A N -0.706 122.083 122.820 -0.053 0.000 2.070 307 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 307 A C 2.251 179.741 177.584 -0.157 0.000 1.159 307 A CA 1.786 53.780 52.037 -0.072 0.000 0.656 307 A CB -0.636 18.333 19.000 -0.051 0.000 0.800 307 A HN 0.433 nan 8.150 nan 0.000 0.453 308 S N -0.715 114.875 115.700 -0.183 0.000 2.515 308 S HA 0.121 4.590 4.470 -0.000 0.000 0.231 308 S C 0.841 175.102 174.600 -0.565 0.000 0.987 308 S CA 0.600 58.590 58.200 -0.350 0.000 0.936 308 S CB -0.189 62.931 63.200 -0.133 0.000 0.766 308 S HN 0.517 nan 8.310 nan 0.000 0.528 309 L N 2.080 123.138 121.223 -0.275 0.000 3.141 309 L HA 0.343 4.683 4.340 -0.000 0.000 0.267 309 L C -0.062 176.822 176.870 0.022 0.000 1.281 309 L CA -0.577 54.204 54.840 -0.098 0.000 1.037 309 L CB -0.383 41.691 42.059 0.026 0.000 1.407 309 L HN 0.182 nan 8.230 nan 0.000 0.566 310 N N -1.827 116.898 118.700 0.041 0.000 2.525 310 N HA 0.129 4.869 4.740 -0.000 0.000 0.288 310 N C 0.396 176.047 175.510 0.234 0.000 1.242 310 N CA -0.789 52.339 53.050 0.130 0.000 0.905 310 N CB 0.563 39.081 38.487 0.050 0.000 1.258 310 N HN 0.071 nan 8.380 nan 0.000 0.551 311 D N -1.125 119.340 120.400 0.108 0.000 2.349 311 D HA -0.110 4.530 4.640 -0.000 0.000 0.224 311 D C 0.490 176.818 176.300 0.047 0.000 1.029 311 D CA 0.408 54.448 54.000 0.066 0.000 0.879 311 D CB -0.117 40.704 40.800 0.035 0.000 0.906 311 D HN 0.637 nan 8.370 nan 0.000 0.528 312 Q N -0.339 119.504 119.800 0.073 0.000 2.364 312 Q HA 0.019 4.359 4.340 -0.000 0.000 0.209 312 Q C 0.061 176.073 176.000 0.022 0.000 0.977 312 Q CA 0.654 56.485 55.803 0.047 0.000 0.885 312 Q CB 0.157 28.927 28.738 0.054 0.000 0.941 312 Q HN 0.250 nan 8.270 nan 0.000 0.464 313 L N -1.299 119.918 121.223 -0.010 0.000 2.283 313 L HA 0.317 4.657 4.340 -0.000 0.000 0.259 313 L C -2.005 174.730 176.870 -0.226 0.000 1.027 313 L CA -1.924 52.828 54.840 -0.147 0.000 0.828 313 L CB 1.194 43.123 42.059 -0.216 0.000 1.380 313 L HN -0.238 nan 8.230 nan 0.000 0.425 314 P HA 0.109 nan 4.420 nan 0.000 0.259 314 P C -0.979 176.212 177.300 -0.182 0.000 1.233 314 P CA 0.289 63.298 63.100 -0.152 0.000 0.827 314 P CB 0.649 32.291 31.700 -0.096 0.000 1.154 315 Q N -0.859 118.774 119.800 -0.279 0.000 2.534 315 Q HA 0.325 4.665 4.340 -0.000 0.000 0.290 315 Q C -1.280 174.414 176.000 -0.509 0.000 0.991 315 Q CA -0.616 55.018 55.803 -0.281 0.000 0.783 315 Q CB 1.296 29.949 28.738 -0.141 0.000 1.470 315 Q HN 0.112 nan 8.270 nan 0.000 0.406 316 H N 1.406 120.451 119.070 -0.041 0.000 2.529 316 H HA 0.471 5.027 4.556 -0.000 0.000 0.348 316 H C -0.384 174.848 175.328 -0.161 0.000 1.079 316 H CA -0.173 55.778 56.048 -0.162 0.000 1.198 316 H CB 2.170 31.784 29.762 -0.246 0.000 1.521 316 H HN 0.813 nan 8.280 nan 0.000 0.514 317 T N 0.215 114.684 114.554 -0.141 0.000 2.902 317 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 317 T C -0.378 174.167 174.700 -0.260 0.000 1.009 317 T CA -0.660 61.394 62.100 -0.076 0.000 1.051 317 T CB 0.840 69.684 68.868 -0.039 0.000 0.999 317 T HN 0.227 nan 8.240 nan 0.000 0.474 318 F N 0.787 120.767 119.950 0.050 0.000 2.539 318 F HA 0.604 5.131 4.527 -0.000 0.000 0.318 318 F C 0.330 176.168 175.800 0.064 0.000 1.135 318 F CA -0.990 57.046 58.000 0.059 0.000 0.915 318 F CB 2.332 41.368 39.000 0.059 0.000 1.176 318 F HN 0.608 nan 8.300 nan 0.000 0.440 319 R N 3.012 123.644 120.500 0.220 0.000 2.532 319 R HA 0.797 5.137 4.340 -0.000 0.000 0.297 319 R C -2.240 174.171 176.300 0.184 0.000 0.984 319 R CA -0.539 55.661 56.100 0.166 0.000 0.884 319 R CB 1.844 32.205 30.300 0.102 0.000 1.182 319 R HN 0.547 nan 8.270 nan 0.000 0.442 320 V N 6.347 126.364 119.914 0.171 0.000 2.417 320 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 320 V C -0.388 175.788 176.094 0.137 0.000 1.024 320 V CA -0.730 61.681 62.300 0.184 0.000 0.861 320 V CB 1.605 33.523 31.823 0.159 0.000 0.985 320 V HN 0.645 nan 8.190 nan 0.000 0.436 321 I N 4.362 125.020 120.570 0.147 0.000 2.433 321 I HA 0.360 4.529 4.170 -0.000 0.000 0.292 321 I C -0.486 175.739 176.117 0.181 0.000 1.001 321 I CA -0.208 61.170 61.300 0.130 0.000 1.119 321 I CB 1.687 39.739 38.000 0.087 0.000 1.289 321 I HN 0.709 nan 8.210 nan 0.000 0.438 322 W N 6.353 127.654 121.300 0.001 0.000 2.349 322 W HA 0.198 4.858 4.660 -0.000 0.000 0.309 322 W C 0.089 176.601 176.519 -0.013 0.000 1.083 322 W CA -0.483 56.867 57.345 0.008 0.000 1.224 322 W CB 1.831 31.360 29.460 0.116 0.000 1.256 322 W HN 0.524 nan 8.180 nan 0.000 0.461 323 T N 3.789 117.955 114.554 -0.646 0.000 2.995 323 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 323 T C 1.883 176.152 174.700 -0.719 0.000 1.091 323 T CA 1.771 63.524 62.100 -0.578 0.000 1.128 323 T CB -0.072 68.504 68.868 -0.486 0.000 0.891 323 T HN 0.702 nan 8.240 nan 0.000 0.492 324 G N 0.903 108.873 108.800 -1.383 0.000 2.470 324 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.220 324 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.220 324 G C 1.075 175.812 174.900 -0.272 0.000 1.121 324 G CA 1.211 45.831 45.100 -0.799 0.000 0.766 324 G HN 0.645 nan 8.290 nan 0.000 0.553 325 S N -1.477 114.116 115.700 -0.178 0.000 2.967 325 S HA 0.130 4.600 4.470 -0.000 0.000 0.236 325 S C 0.079 174.704 174.600 0.043 0.000 0.804 325 S CA 0.419 58.645 58.200 0.042 0.000 1.223 325 S CB -0.162 63.134 63.200 0.160 0.000 1.268 325 S HN 0.142 nan 8.310 nan 0.000 0.573 326 D N 2.738 123.124 120.400 -0.024 0.000 2.733 326 D HA -0.163 4.477 4.640 -0.000 0.000 0.228 326 D C 0.222 176.562 176.300 0.067 0.000 1.182 326 D CA 1.410 55.416 54.000 0.011 0.000 0.620 326 D CB -1.005 39.794 40.800 -0.001 0.000 1.027 326 D HN 0.845 nan 8.370 nan 0.000 0.415 327 S N -0.261 115.517 115.700 0.130 0.000 2.601 327 S HA 0.531 5.001 4.470 -0.000 0.000 0.271 327 S C 0.068 174.738 174.600 0.118 0.000 1.305 327 S CA -0.545 57.718 58.200 0.105 0.000 1.022 327 S CB 2.489 65.742 63.200 0.088 0.000 0.940 327 S HN 0.271 nan 8.310 nan 0.000 0.525 328 Q N 0.535 120.381 119.800 0.077 0.000 2.359 328 Q HA 0.521 4.861 4.340 -0.000 0.000 0.274 328 Q C -1.209 174.825 176.000 0.057 0.000 1.074 328 Q CA -0.874 54.974 55.803 0.075 0.000 0.810 328 Q CB 2.346 31.123 28.738 0.065 0.000 1.342 328 Q HN 0.571 nan 8.270 nan 0.000 0.427 329 K N 1.968 122.404 120.400 0.060 0.000 2.464 329 K HA 0.473 4.793 4.320 -0.000 0.000 0.253 329 K C -1.166 175.484 176.600 0.083 0.000 0.933 329 K CA -0.536 55.784 56.287 0.056 0.000 0.801 329 K CB 2.593 35.116 32.500 0.038 0.000 1.271 329 K HN 0.602 nan 8.250 nan 0.000 0.430 330 E N 1.152 121.401 120.200 0.081 0.000 2.256 330 E HA 0.508 4.857 4.350 -0.000 0.000 0.267 330 E C -0.576 176.082 176.600 0.096 0.000 0.892 330 E CA -0.918 55.544 56.400 0.103 0.000 0.775 330 E CB 1.774 31.522 29.700 0.080 0.000 1.207 330 E HN 0.724 nan 8.360 nan 0.000 0.420 331 C N -0.891 118.491 119.300 0.136 0.000 3.213 331 C HA 0.870 5.329 4.460 -0.000 0.000 0.319 331 C C -0.621 174.458 174.990 0.149 0.000 1.386 331 C CA -0.809 58.263 59.018 0.090 0.000 1.494 331 C CB 0.488 28.259 27.740 0.051 0.000 1.905 331 C HN 0.499 nan 8.230 nan 0.000 0.456 332 V N 1.247 121.209 119.914 0.079 0.000 2.577 332 V HA 0.581 4.701 4.120 -0.000 0.000 0.303 332 V C -0.743 175.395 176.094 0.074 0.000 1.042 332 V CA -0.259 62.099 62.300 0.096 0.000 0.872 332 V CB 1.399 33.225 31.823 0.004 0.000 0.998 332 V HN 0.874 nan 8.190 nan 0.000 0.423 333 L N 6.145 127.477 121.223 0.181 0.000 2.265 333 L HA 0.618 4.958 4.340 -0.000 0.000 0.289 333 L C -0.530 176.374 176.870 0.056 0.000 1.033 333 L CA 0.247 55.163 54.840 0.128 0.000 0.814 333 L CB 0.767 43.005 42.059 0.297 0.000 1.203 333 L HN 0.558 nan 8.230 nan 0.000 0.423 334 L N 4.173 125.390 121.223 -0.011 0.000 2.379 334 L HA 0.463 4.803 4.340 -0.000 0.000 0.269 334 L C 0.313 177.172 176.870 -0.018 0.000 1.084 334 L CA -0.943 53.876 54.840 -0.034 0.000 0.802 334 L CB 0.894 42.919 42.059 -0.056 0.000 1.175 334 L HN 0.597 nan 8.230 nan 0.000 0.448 335 K N 1.709 122.092 120.400 -0.029 0.000 2.436 335 K HA -0.054 4.266 4.320 -0.000 0.000 0.275 335 K C -0.035 176.563 176.600 -0.003 0.000 0.999 335 K CA -0.005 56.275 56.287 -0.011 0.000 0.980 335 K CB 0.360 32.844 32.500 -0.027 0.000 0.919 335 K HN 0.702 nan 8.250 nan 0.000 0.484 336 D N 0.891 121.298 120.400 0.011 0.000 3.070 336 D HA -0.184 4.456 4.640 -0.000 0.000 0.220 336 D C -0.565 175.740 176.300 0.008 0.000 1.176 336 D CA 1.113 55.120 54.000 0.011 0.000 0.924 336 D CB -0.305 40.499 40.800 0.005 0.000 1.124 336 D HN 0.593 nan 8.370 nan 0.000 0.411 337 R N 0.284 120.786 120.500 0.003 0.000 2.457 337 R HA 0.289 4.629 4.340 -0.000 0.000 0.284 337 R C -1.274 175.032 176.300 0.010 0.000 1.024 337 R CA -1.268 54.831 56.100 -0.002 0.000 1.025 337 R CB 0.571 30.851 30.300 -0.034 0.000 1.063 337 R HN 0.014 nan 8.270 nan 0.000 0.493 338 P HA 0.074 nan 4.420 nan 0.000 0.239 338 P C -0.555 176.760 177.300 0.025 0.000 1.188 338 P CA 0.700 63.821 63.100 0.035 0.000 0.794 338 P CB 0.964 32.698 31.700 0.056 0.000 0.937 339 E N -0.853 119.357 120.200 0.016 0.000 2.429 339 E HA 0.490 4.840 4.350 -0.000 0.000 0.276 339 E C -0.756 175.769 176.600 -0.126 0.000 0.953 339 E CA -0.890 55.501 56.400 -0.014 0.000 0.787 339 E CB 2.144 32.005 29.700 0.268 0.000 1.307 339 E HN 0.113 nan 8.360 nan 0.000 0.458 340 C N -0.768 118.411 119.300 -0.201 0.000 3.291 340 C HA 0.940 5.400 4.460 -0.000 0.000 0.316 340 C C -1.865 173.082 174.990 -0.071 0.000 1.391 340 C CA -0.795 58.039 59.018 -0.307 0.000 1.394 340 C CB -0.008 27.591 27.740 -0.234 0.000 1.744 340 C HN 1.035 nan 8.230 nan 0.000 0.461 341 W N -1.193 120.090 121.300 -0.028 0.000 3.059 341 W HA 0.662 5.322 4.660 -0.000 0.000 0.329 341 W C -1.544 174.987 176.519 0.020 0.000 1.246 341 W CA -1.066 56.286 57.345 0.012 0.000 1.190 341 W CB 0.590 30.107 29.460 0.096 0.000 1.423 341 W HN 0.972 nan 8.180 nan 0.000 0.571 342 C N 3.111 122.597 119.300 0.310 0.000 2.442 342 C HA 0.777 5.237 4.460 -0.000 0.000 0.335 342 C C -0.619 174.498 174.990 0.211 0.000 1.134 342 C CA -0.557 58.588 59.018 0.211 0.000 1.344 342 C CB 0.307 28.111 27.740 0.108 0.000 1.956 342 C HN 0.808 nan 8.230 nan 0.000 0.438 343 R N 4.267 124.903 120.500 0.226 0.000 2.534 343 R HA 0.436 4.776 4.340 -0.000 0.000 0.301 343 R C -0.953 175.378 176.300 0.052 0.000 0.961 343 R CA -0.372 55.793 56.100 0.109 0.000 0.871 343 R CB 0.942 31.291 30.300 0.081 0.000 1.170 343 R HN 0.703 nan 8.270 nan 0.000 0.446 344 D N 2.570 122.972 120.400 0.003 0.000 2.401 344 D HA 0.013 4.653 4.640 -0.000 0.000 0.254 344 D C -0.089 176.174 176.300 -0.061 0.000 1.192 344 D CA 0.558 54.541 54.000 -0.029 0.000 0.885 344 D CB 1.256 42.026 40.800 -0.049 0.000 1.147 344 D HN 0.540 nan 8.370 nan 0.000 0.478 345 S N 0.747 116.412 115.700 -0.058 0.000 2.586 345 S HA 0.516 4.986 4.470 -0.000 0.000 0.274 345 S C 1.277 175.775 174.600 -0.171 0.000 1.281 345 S CA -0.475 57.675 58.200 -0.083 0.000 1.035 345 S CB 1.999 65.180 63.200 -0.032 0.000 0.962 345 S HN 0.406 nan 8.310 nan 0.000 0.512 346 A N 3.148 125.816 122.820 -0.254 0.000 1.859 346 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 346 A C 2.270 179.722 177.584 -0.219 0.000 1.198 346 A CA 2.437 54.212 52.037 -0.438 0.000 0.629 346 A CB -2.123 16.606 19.000 -0.452 0.000 0.830 346 A HN 0.915 nan 8.150 nan 0.000 0.446 347 T N 0.167 114.671 114.554 -0.083 0.000 2.570 347 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 347 T C 1.473 176.153 174.700 -0.033 0.000 1.071 347 T CA 1.844 63.931 62.100 -0.020 0.000 1.172 347 T CB -0.438 68.447 68.868 0.028 0.000 0.864 347 T HN 0.559 nan 8.240 nan 0.000 0.421 348 D N 0.404 120.783 120.400 -0.036 0.000 2.262 348 D HA 0.049 4.689 4.640 -0.000 0.000 0.212 348 D C 1.514 177.788 176.300 -0.043 0.000 0.964 348 D CA 0.554 54.539 54.000 -0.025 0.000 0.875 348 D CB -0.240 40.556 40.800 -0.007 0.000 0.996 348 D HN 0.300 nan 8.370 nan 0.000 0.497 349 E N 1.086 121.244 120.200 -0.070 0.000 2.320 349 E HA 0.091 4.441 4.350 -0.000 0.000 0.189 349 E C -0.285 176.253 176.600 -0.102 0.000 1.100 349 E CA -0.061 56.295 56.400 -0.074 0.000 1.009 349 E CB -0.325 29.332 29.700 -0.071 0.000 1.145 349 E HN 0.109 nan 8.360 nan 0.000 0.454 350 Q N -0.261 119.477 119.800 -0.104 0.000 2.435 350 Q HA -0.244 4.096 4.340 -0.000 0.000 0.286 350 Q C 0.851 176.763 176.000 -0.147 0.000 1.229 350 Q CA -0.021 55.724 55.803 -0.095 0.000 0.884 350 Q CB -0.736 27.973 28.738 -0.049 0.000 1.245 350 Q HN 0.346 nan 8.270 nan 0.000 0.488 351 L N -0.415 120.623 121.223 -0.309 0.000 2.109 351 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 351 L C 0.509 177.120 176.870 -0.431 0.000 1.086 351 L CA 2.065 56.629 54.840 -0.460 0.000 0.760 351 L CB -0.098 41.491 42.059 -0.782 0.000 0.910 351 L HN 0.294 nan 8.230 nan 0.000 0.437 352 F N -1.445 118.469 119.950 -0.061 0.000 2.608 352 F HA 0.580 5.107 4.527 -0.000 0.000 0.309 352 F C 0.274 176.048 175.800 -0.043 0.000 1.103 352 F CA -1.551 56.420 58.000 -0.048 0.000 0.954 352 F CB 0.728 39.680 39.000 -0.080 0.000 1.267 352 F HN -0.080 nan 8.300 nan 0.000 0.444 353 R N 1.930 122.521 120.500 0.152 0.000 2.168 353 R HA -0.124 4.216 4.340 -0.000 0.000 0.364 353 R C -1.724 174.589 176.300 0.022 0.000 1.103 353 R CA 0.116 56.253 56.100 0.063 0.000 0.832 353 R CB -1.463 28.877 30.300 0.066 0.000 2.561 353 R HN 0.998 nan 8.270 nan 0.000 0.484 354 C N 2.805 122.105 119.300 -0.000 0.000 2.520 354 C HA 0.318 4.778 4.460 -0.000 0.000 0.376 354 C C 1.026 176.007 174.990 -0.017 0.000 1.268 354 C CA -0.537 58.473 59.018 -0.014 0.000 2.414 354 C CB 0.943 28.670 27.740 -0.022 0.000 2.521 354 C HN 0.594 nan 8.230 nan 0.000 0.618 355 E N 0.653 120.844 120.200 -0.016 0.000 2.354 355 E HA 0.285 4.635 4.350 -0.000 0.000 0.269 355 E C -0.837 175.755 176.600 -0.012 0.000 1.036 355 E CA -0.458 55.935 56.400 -0.011 0.000 0.876 355 E CB 0.503 30.197 29.700 -0.010 0.000 1.009 355 E HN 0.268 nan 8.360 nan 0.000 0.416 356 L N 2.363 123.582 121.223 -0.007 0.000 2.312 356 L HA 0.162 4.502 4.340 -0.000 0.000 0.281 356 L C 0.091 176.958 176.870 -0.005 0.000 1.070 356 L CA -0.005 54.832 54.840 -0.006 0.000 0.805 356 L CB 1.331 43.390 42.059 0.001 0.000 1.174 356 L HN 0.530 nan 8.230 nan 0.000 0.434 357 S N 1.820 117.516 115.700 -0.007 0.000 2.603 357 S HA 0.294 4.764 4.470 -0.000 0.000 0.268 357 S C 1.403 176.003 174.600 -0.001 0.000 1.317 357 S CA -0.880 57.317 58.200 -0.005 0.000 1.012 357 S CB 1.060 64.255 63.200 -0.009 0.000 0.926 357 S HN 0.339 nan 8.310 nan 0.000 0.539 358 V N 1.295 121.209 119.914 0.001 0.000 2.469 358 V HA -0.188 3.932 4.120 -0.000 0.000 0.251 358 V C 2.347 178.444 176.094 0.005 0.000 1.064 358 V CA 2.159 64.462 62.300 0.004 0.000 1.066 358 V CB -1.407 30.418 31.823 0.004 0.000 0.667 358 V HN 0.794 nan 8.190 nan 0.000 0.461 359 E N 0.743 120.944 120.200 0.002 0.000 1.997 359 E HA -0.236 4.114 4.350 -0.000 0.000 0.201 359 E C 2.228 178.831 176.600 0.005 0.000 1.011 359 E CA 1.772 58.173 56.400 0.002 0.000 0.847 359 E CB -0.473 29.225 29.700 -0.004 0.000 0.787 359 E HN 0.580 nan 8.360 nan 0.000 0.472 360 K N 0.303 120.702 120.400 -0.001 0.000 2.103 360 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 360 K C 2.340 178.945 176.600 0.009 0.000 1.048 360 K CA 1.609 57.894 56.287 -0.002 0.000 0.930 360 K CB -0.271 32.219 32.500 -0.017 0.000 0.716 360 K HN 0.012 nan 8.250 nan 0.000 0.444 361 S N -0.317 115.389 115.700 0.011 0.000 2.365 361 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 361 S C 1.660 176.279 174.600 0.032 0.000 1.039 361 S CA 2.005 60.218 58.200 0.022 0.000 1.033 361 S CB -0.380 62.831 63.200 0.019 0.000 0.887 361 S HN 0.589 nan 8.310 nan 0.000 0.447 362 T N 1.255 115.826 114.554 0.028 0.000 2.809 362 T HA -0.044 4.306 4.350 -0.000 0.000 0.260 362 T C 1.926 176.650 174.700 0.040 0.000 1.039 362 T CA 1.186 63.306 62.100 0.033 0.000 1.141 362 T CB -0.832 68.051 68.868 0.025 0.000 0.869 362 T HN 0.395 nan 8.240 nan 0.000 0.437 363 V N 1.633 121.569 119.914 0.036 0.000 2.317 363 V HA -0.169 3.951 4.120 -0.000 0.000 0.251 363 V C 2.140 178.274 176.094 0.067 0.000 1.065 363 V CA 1.733 64.061 62.300 0.047 0.000 1.049 363 V CB -0.831 31.015 31.823 0.038 0.000 0.651 363 V HN 0.277 nan 8.190 nan 0.000 0.450 364 L N -0.090 121.168 121.223 0.059 0.000 2.109 364 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 364 L C 2.630 179.546 176.870 0.076 0.000 1.086 364 L CA 2.304 57.189 54.840 0.074 0.000 0.760 364 L CB -1.338 40.751 42.059 0.050 0.000 0.910 364 L HN 0.529 nan 8.230 nan 0.000 0.437 365 Q N -1.316 118.525 119.800 0.068 0.000 2.172 365 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 365 Q C 2.427 178.466 176.000 0.066 0.000 0.964 365 Q CA 1.354 57.197 55.803 0.067 0.000 0.855 365 Q CB -0.045 28.741 28.738 0.080 0.000 0.918 365 Q HN 0.366 nan 8.270 nan 0.000 0.444 366 S N 0.329 116.070 115.700 0.068 0.000 2.404 366 S HA -0.306 4.164 4.470 -0.000 0.000 0.230 366 S C 1.642 176.307 174.600 0.108 0.000 1.046 366 S CA 1.929 60.172 58.200 0.072 0.000 1.135 366 S CB -0.328 62.915 63.200 0.072 0.000 1.056 366 S HN 0.563 nan 8.310 nan 0.000 0.426 367 E N -0.015 120.277 120.200 0.154 0.000 2.085 367 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 367 E C 2.105 178.827 176.600 0.203 0.000 0.994 367 E CA 1.362 57.911 56.400 0.249 0.000 0.801 367 E CB -0.270 29.595 29.700 0.276 0.000 0.743 367 E HN 0.387 nan 8.360 nan 0.000 0.453 368 L N 1.575 122.861 121.223 0.105 0.000 2.005 368 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 368 L C 1.953 178.838 176.870 0.026 0.000 1.072 368 L CA 1.825 56.682 54.840 0.028 0.000 0.744 368 L CB -0.408 41.616 42.059 -0.058 0.000 0.895 368 L HN -0.086 nan 8.230 nan 0.000 0.433 369 E N 0.006 120.225 120.200 0.032 0.000 2.086 369 E HA -0.222 4.128 4.350 -0.000 0.000 0.200 369 E C 2.306 178.913 176.600 0.011 0.000 1.012 369 E CA 1.683 58.097 56.400 0.024 0.000 0.812 369 E CB -0.813 28.902 29.700 0.024 0.000 0.743 369 E HN 0.540 nan 8.360 nan 0.000 0.453 370 S N 0.057 115.759 115.700 0.004 0.000 2.382 370 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 370 S C 2.168 176.730 174.600 -0.065 0.000 1.027 370 S CA 0.950 59.079 58.200 -0.118 0.000 0.991 370 S CB -0.323 62.732 63.200 -0.242 0.000 0.823 370 S HN 0.348 nan 8.310 nan 0.000 0.469 371 C N 1.686 121.096 119.300 0.182 0.000 2.429 371 C HA -0.041 4.419 4.460 -0.000 0.000 0.277 371 C C 2.561 177.626 174.990 0.125 0.000 1.262 371 C CA 0.658 59.843 59.018 0.278 0.000 1.733 371 C CB -0.960 26.923 27.740 0.238 0.000 2.010 371 C HN 0.593 nan 8.230 nan 0.000 0.483 372 K N 0.688 121.126 120.400 0.062 0.000 2.032 372 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 372 K C 1.882 178.514 176.600 0.054 0.000 1.048 372 K CA 1.576 57.902 56.287 0.065 0.000 0.927 372 K CB -0.261 32.276 32.500 0.062 0.000 0.712 372 K HN 0.610 nan 8.250 nan 0.000 0.441 373 E N 1.086 121.297 120.200 0.018 0.000 2.038 373 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 373 E C 2.120 178.731 176.600 0.018 0.000 1.000 373 E CA 0.997 57.395 56.400 -0.003 0.000 0.803 373 E CB -0.219 29.448 29.700 -0.056 0.000 0.750 373 E HN 0.238 nan 8.360 nan 0.000 0.448 374 L N 1.209 122.455 121.223 0.039 0.000 2.051 374 L HA -0.326 4.014 4.340 -0.000 0.000 0.214 374 L C 2.816 179.751 176.870 0.108 0.000 1.076 374 L CA 1.554 56.462 54.840 0.112 0.000 0.758 374 L CB -0.303 41.918 42.059 0.271 0.000 0.890 374 L HN 0.315 nan 8.230 nan 0.000 0.433 375 Q N 0.028 119.887 119.800 0.098 0.000 1.985 375 Q HA -0.295 4.045 4.340 -0.000 0.000 0.207 375 Q C 1.877 177.912 176.000 0.058 0.000 0.996 375 Q CA 2.391 58.241 55.803 0.078 0.000 0.851 375 Q CB -0.191 28.604 28.738 0.095 0.000 0.921 375 Q HN 0.574 nan 8.270 nan 0.000 0.418 376 E N 0.145 120.374 120.200 0.049 0.000 2.236 376 E HA -0.256 4.094 4.350 -0.000 0.000 0.205 376 E C 2.011 178.632 176.600 0.035 0.000 1.028 376 E CA 1.328 57.748 56.400 0.033 0.000 0.827 376 E CB -0.255 29.460 29.700 0.025 0.000 0.735 376 E HN 0.294 nan 8.360 nan 0.000 0.470 377 L N 0.831 122.081 121.223 0.046 0.000 2.068 377 L HA -0.010 4.330 4.340 -0.000 0.000 0.204 377 L C 0.447 177.353 176.870 0.060 0.000 1.076 377 L CA 1.668 56.538 54.840 0.050 0.000 0.753 377 L CB 0.343 42.437 42.059 0.058 0.000 0.910 377 L HN -0.121 nan 8.230 nan 0.000 0.439 378 E N 0.596 120.841 120.200 0.075 0.000 3.037 378 E HA 0.215 4.565 4.350 -0.000 0.000 0.220 378 E C -1.940 174.692 176.600 0.054 0.000 1.142 378 E CA -1.421 55.024 56.400 0.075 0.000 0.888 378 E CB 0.800 30.567 29.700 0.111 0.000 1.329 378 E HN 0.238 nan 8.360 nan 0.000 0.409 379 P HA -0.160 nan 4.420 nan 0.000 0.225 379 P C 0.234 177.533 177.300 -0.002 0.000 1.148 379 P CA 1.030 64.139 63.100 0.016 0.000 0.779 379 P CB 0.327 32.032 31.700 0.009 0.000 0.780 380 E N -0.670 119.533 120.200 0.004 0.000 2.451 380 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 380 E C 0.443 177.026 176.600 -0.028 0.000 1.027 380 E CA -0.322 56.069 56.400 -0.015 0.000 0.914 380 E CB -0.215 29.485 29.700 -0.000 0.000 1.054 380 E HN 0.135 nan 8.360 nan 0.000 0.461 381 N N 2.558 121.246 118.700 -0.021 0.000 2.402 381 N HA -0.024 4.716 4.740 -0.000 0.000 0.252 381 N C 0.907 176.301 175.510 -0.194 0.000 1.118 381 N CA 0.149 53.182 53.050 -0.028 0.000 0.945 381 N CB 0.778 39.296 38.487 0.051 0.000 1.147 381 N HN 0.205 nan 8.380 nan 0.000 0.495 382 K N 2.864 123.061 120.400 -0.337 0.000 2.228 382 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 382 K C 1.000 177.138 176.600 -0.769 0.000 1.051 382 K CA 0.653 56.608 56.287 -0.554 0.000 0.960 382 K CB -0.071 32.041 32.500 -0.648 0.000 0.743 382 K HN 0.429 nan 8.250 nan 0.000 0.458 383 W N 1.246 122.179 121.300 -0.611 0.000 2.418 383 W HA -0.042 4.618 4.660 -0.000 0.000 0.292 383 W C 2.553 178.178 176.519 -1.490 0.000 1.213 383 W CA 0.296 56.971 57.345 -1.118 0.000 1.283 383 W CB -0.902 27.559 29.460 -1.666 0.000 1.119 383 W HN 0.228 nan 8.180 nan 0.000 0.542 384 C N 0.579 119.231 119.300 -1.080 0.000 2.446 384 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 384 C C 2.558 177.273 174.990 -0.458 0.000 1.275 384 C CA 1.005 59.539 59.018 -0.807 0.000 1.727 384 C CB -1.290 26.302 27.740 -0.246 0.000 2.010 384 C HN 0.342 nan 8.230 nan 0.000 0.486 385 L N 0.324 121.333 121.223 -0.358 0.000 2.027 385 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 385 L C 2.543 179.204 176.870 -0.348 0.000 1.074 385 L CA 1.070 55.756 54.840 -0.256 0.000 0.745 385 L CB -0.901 41.063 42.059 -0.159 0.000 0.898 385 L HN 0.329 nan 8.230 nan 0.000 0.433 386 L N -0.234 120.757 121.223 -0.386 0.000 1.990 386 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 386 L C 2.487 179.194 176.870 -0.272 0.000 1.072 386 L CA 2.277 56.920 54.840 -0.329 0.000 0.755 386 L CB -0.958 40.920 42.059 -0.302 0.000 0.889 386 L HN 0.200 nan 8.230 nan 0.000 0.432 387 T N -0.180 114.199 114.554 -0.291 0.000 2.788 387 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 387 T C 1.977 176.585 174.700 -0.153 0.000 1.044 387 T CA 1.790 63.805 62.100 -0.142 0.000 1.139 387 T CB -0.362 68.416 68.868 -0.151 0.000 0.867 387 T HN 0.329 nan 8.240 nan 0.000 0.454 388 I N 0.615 121.018 120.570 -0.278 0.000 2.127 388 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 388 I C 2.219 178.070 176.117 -0.443 0.000 1.075 388 I CA 1.374 62.436 61.300 -0.396 0.000 1.334 388 I CB -0.427 37.192 38.000 -0.634 0.000 1.040 388 I HN 0.195 nan 8.210 nan 0.000 0.405 389 I N 0.396 120.699 120.570 -0.445 0.000 2.151 389 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 389 I C 2.397 178.394 176.117 -0.199 0.000 1.080 389 I CA 1.682 62.783 61.300 -0.330 0.000 1.339 389 I CB -0.347 37.422 38.000 -0.384 0.000 1.039 389 I HN 0.207 nan 8.210 nan 0.000 0.409 390 L N -0.331 120.812 121.223 -0.133 0.000 2.093 390 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 390 L C 2.456 179.269 176.870 -0.096 0.000 1.085 390 L CA 1.076 55.872 54.840 -0.074 0.000 0.755 390 L CB -0.501 41.564 42.059 0.010 0.000 0.904 390 L HN 0.260 nan 8.230 nan 0.000 0.435 391 L N -0.976 120.195 121.223 -0.087 0.000 2.083 391 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 391 L C 2.659 179.448 176.870 -0.135 0.000 1.083 391 L CA 1.248 56.044 54.840 -0.072 0.000 0.752 391 L CB -0.324 41.711 42.059 -0.039 0.000 0.899 391 L HN 0.312 nan 8.230 nan 0.000 0.433 392 M N -1.159 118.294 119.600 -0.246 0.000 2.117 392 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 392 M C 2.488 178.756 176.300 -0.052 0.000 1.065 392 M CA 1.493 56.630 55.300 -0.271 0.000 1.114 392 M CB -0.325 32.038 32.600 -0.395 0.000 1.361 392 M HN 0.163 nan 8.290 nan 0.000 0.408 393 R N 0.300 120.708 120.500 -0.153 0.000 2.080 393 R HA -0.105 4.235 4.340 -0.000 0.000 0.236 393 R C 2.297 178.534 176.300 -0.105 0.000 1.137 393 R CA 1.764 57.737 56.100 -0.211 0.000 0.943 393 R CB -1.121 28.911 30.300 -0.448 0.000 0.846 393 R HN 0.401 nan 8.270 nan 0.000 0.431 394 A N 1.410 124.177 122.820 -0.088 0.000 1.873 394 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 394 A C 2.426 180.011 177.584 0.002 0.000 1.193 394 A CA 1.568 53.579 52.037 -0.043 0.000 0.629 394 A CB -0.736 18.235 19.000 -0.047 0.000 0.826 394 A HN 0.196 nan 8.150 nan 0.000 0.447 395 L N -1.761 119.485 121.223 0.039 0.000 2.044 395 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 395 L C 0.433 177.370 176.870 0.110 0.000 1.075 395 L CA 1.366 56.264 54.840 0.097 0.000 0.747 395 L CB 0.047 42.216 42.059 0.183 0.000 0.903 395 L HN 0.403 nan 8.230 nan 0.000 0.435 396 D N -2.114 118.388 120.400 0.170 0.000 2.491 396 D HA 0.066 4.706 4.640 -0.000 0.000 0.232 396 D C -2.152 174.203 176.300 0.093 0.000 1.334 396 D CA -0.849 53.195 54.000 0.074 0.000 0.909 396 D CB 1.054 41.821 40.800 -0.056 0.000 1.513 396 D HN -0.164 nan 8.370 nan 0.000 0.514 397 P HA -0.062 nan 4.420 nan 0.000 0.217 397 P C 1.838 179.156 177.300 0.029 0.000 1.151 397 P CA 0.430 63.549 63.100 0.032 0.000 0.828 397 P CB 0.696 32.373 31.700 -0.038 0.000 0.788 398 L N -1.243 119.974 121.223 -0.010 0.000 2.093 398 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 398 L C 2.690 179.518 176.870 -0.070 0.000 1.085 398 L CA 0.867 55.685 54.840 -0.036 0.000 0.755 398 L CB -0.978 41.040 42.059 -0.070 0.000 0.904 398 L HN -0.025 nan 8.230 nan 0.000 0.435 399 L N -1.235 119.901 121.223 -0.146 0.000 2.156 399 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 399 L C 1.734 178.441 176.870 -0.272 0.000 1.095 399 L CA 1.543 56.223 54.840 -0.266 0.000 0.770 399 L CB -0.312 41.492 42.059 -0.425 0.000 0.914 399 L HN 0.120 nan 8.230 nan 0.000 0.439 400 Y N -0.710 119.588 120.300 -0.003 0.000 2.470 400 Y HA 0.070 4.620 4.550 -0.000 0.000 0.284 400 Y C 2.115 178.036 175.900 0.035 0.000 1.188 400 Y CA 0.074 58.184 58.100 0.016 0.000 1.269 400 Y CB -0.010 38.450 38.460 0.000 0.000 1.094 400 Y HN 0.344 nan 8.280 nan 0.000 0.518 401 E N 1.019 121.298 120.200 0.131 0.000 2.038 401 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 401 E C 1.823 178.501 176.600 0.131 0.000 1.000 401 E CA 1.355 57.825 56.400 0.117 0.000 0.803 401 E CB 0.232 29.970 29.700 0.064 0.000 0.750 401 E HN 0.203 nan 8.360 nan 0.000 0.448 402 K N 0.635 121.098 120.400 0.104 0.000 2.057 402 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 402 K C 2.046 178.723 176.600 0.129 0.000 1.049 402 K CA 1.418 57.761 56.287 0.094 0.000 0.931 402 K CB -0.337 32.200 32.500 0.060 0.000 0.714 402 K HN 0.342 nan 8.250 nan 0.000 0.440 403 E N 0.177 120.484 120.200 0.178 0.000 2.077 403 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 403 E C 1.995 178.771 176.600 0.293 0.000 0.989 403 E CA 1.430 57.967 56.400 0.229 0.000 0.800 403 E CB -0.187 29.702 29.700 0.315 0.000 0.746 403 E HN 0.264 nan 8.360 nan 0.000 0.452 404 T N 1.589 116.298 114.554 0.259 0.000 2.684 404 T HA -0.163 4.186 4.350 -0.000 0.000 0.267 404 T C 1.774 176.681 174.700 0.344 0.000 1.036 404 T CA 0.921 63.179 62.100 0.265 0.000 1.148 404 T CB -0.202 68.817 68.868 0.251 0.000 0.863 404 T HN -0.018 nan 8.240 nan 0.000 0.436 405 L N 1.214 122.604 121.223 0.280 0.000 2.079 405 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 405 L C 2.658 179.638 176.870 0.185 0.000 1.081 405 L CA 1.623 56.608 54.840 0.242 0.000 0.752 405 L CB -0.966 41.174 42.059 0.135 0.000 0.896 405 L HN 0.215 nan 8.230 nan 0.000 0.433 406 Q N -1.556 118.312 119.800 0.113 0.000 2.016 406 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 406 Q C 2.379 178.340 176.000 -0.065 0.000 0.978 406 Q CA 1.605 57.402 55.803 -0.011 0.000 0.833 406 Q CB -0.667 28.015 28.738 -0.093 0.000 0.895 406 Q HN 0.481 nan 8.270 nan 0.000 0.427 407 Y N -0.116 120.174 120.300 -0.017 0.000 2.151 407 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 407 Y C 2.207 178.038 175.900 -0.114 0.000 1.166 407 Y CA 1.329 59.369 58.100 -0.101 0.000 1.163 407 Y CB -0.558 37.797 38.460 -0.174 0.000 0.974 407 Y HN 0.047 nan 8.280 nan 0.000 0.511 408 F N -0.898 119.114 119.950 0.104 0.000 2.134 408 F HA -0.276 4.251 4.527 -0.000 0.000 0.299 408 F C 2.790 178.584 175.800 -0.009 0.000 1.097 408 F CA 1.655 59.672 58.000 0.028 0.000 1.264 408 F CB -0.730 38.268 39.000 -0.002 0.000 1.001 408 F HN 0.011 nan 8.300 nan 0.000 0.479 409 S N -0.663 115.136 115.700 0.165 0.000 2.370 409 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 409 S C 2.084 176.695 174.600 0.018 0.000 1.033 409 S CA 2.171 60.411 58.200 0.067 0.000 1.011 409 S CB -0.619 62.602 63.200 0.034 0.000 0.852 409 S HN 0.374 nan 8.310 nan 0.000 0.457 410 T N 2.575 117.118 114.554 -0.018 0.000 2.777 410 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 410 T C 1.694 176.371 174.700 -0.040 0.000 1.040 410 T CA 1.309 63.381 62.100 -0.047 0.000 1.141 410 T CB -0.548 68.266 68.868 -0.090 0.000 0.868 410 T HN 0.330 nan 8.240 nan 0.000 0.444 411 L N 1.507 122.707 121.223 -0.038 0.000 2.042 411 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 411 L C 2.307 179.149 176.870 -0.046 0.000 1.076 411 L CA 1.859 56.654 54.840 -0.075 0.000 0.749 411 L CB -0.561 41.418 42.059 -0.133 0.000 0.893 411 L HN 0.090 nan 8.230 nan 0.000 0.432 412 K N -0.987 119.418 120.400 0.007 0.000 2.063 412 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 412 K C 1.958 178.552 176.600 -0.011 0.000 1.048 412 K CA 1.396 57.691 56.287 0.014 0.000 0.928 412 K CB -0.214 32.310 32.500 0.040 0.000 0.713 412 K HN 0.476 nan 8.250 nan 0.000 0.442 413 A N 0.155 122.965 122.820 -0.017 0.000 1.929 413 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 413 A C 2.126 179.690 177.584 -0.033 0.000 1.176 413 A CA 1.103 53.126 52.037 -0.022 0.000 0.628 413 A CB -0.259 18.728 19.000 -0.022 0.000 0.816 413 A HN 0.155 nan 8.150 nan 0.000 0.444 414 V N 0.080 119.966 119.914 -0.047 0.000 2.548 414 V HA -0.096 4.024 4.120 -0.000 0.000 0.249 414 V C 0.942 176.991 176.094 -0.075 0.000 1.055 414 V CA 2.044 64.307 62.300 -0.062 0.000 1.065 414 V CB -0.399 31.375 31.823 -0.083 0.000 0.681 414 V HN 0.600 nan 8.190 nan 0.000 0.462 415 D N -0.865 119.486 120.400 -0.082 0.000 2.749 415 D HA 0.215 4.855 4.640 -0.000 0.000 0.338 415 D C -1.400 174.870 176.300 -0.050 0.000 1.236 415 D CA -1.853 52.093 54.000 -0.092 0.000 0.845 415 D CB 0.942 41.645 40.800 -0.161 0.000 1.080 415 D HN 0.160 nan 8.370 nan 0.000 0.497 416 P HA -0.213 nan 4.420 nan 0.000 0.217 416 P C 1.693 178.988 177.300 -0.008 0.000 1.148 416 P CA 1.028 64.118 63.100 -0.016 0.000 0.828 416 P CB 0.156 31.849 31.700 -0.013 0.000 0.783 417 M N -1.488 118.105 119.600 -0.011 0.000 2.279 417 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 417 M C 1.640 177.945 176.300 0.008 0.000 1.062 417 M CA 1.542 56.841 55.300 -0.002 0.000 1.099 417 M CB -0.409 32.189 32.600 -0.004 0.000 1.394 417 M HN -0.196 nan 8.290 nan 0.000 0.426 418 R N -0.082 120.423 120.500 0.009 0.000 2.480 418 R HA 0.256 4.596 4.340 -0.000 0.000 0.277 418 R C 1.566 177.913 176.300 0.078 0.000 1.008 418 R CA 0.076 56.210 56.100 0.056 0.000 1.090 418 R CB -0.391 29.942 30.300 0.055 0.000 1.234 418 R HN 0.245 nan 8.270 nan 0.000 0.549 419 A N 0.140 122.981 122.820 0.034 0.000 2.019 419 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 419 A C 2.096 179.681 177.584 0.002 0.000 1.164 419 A CA 1.768 53.815 52.037 0.017 0.000 0.644 419 A CB -0.292 18.709 19.000 0.001 0.000 0.805 419 A HN 0.388 nan 8.150 nan 0.000 0.449 420 A N -1.733 121.098 122.820 0.019 0.000 1.975 420 A HA 0.092 4.412 4.320 -0.000 0.000 0.215 420 A C 2.036 179.621 177.584 0.002 0.000 1.170 420 A CA 1.252 53.287 52.037 -0.002 0.000 0.656 420 A CB -0.654 18.351 19.000 0.008 0.000 0.821 420 A HN 0.684 nan 8.150 nan 0.000 0.449 421 Y N 0.856 121.129 120.300 -0.046 0.000 2.145 421 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 421 Y C 1.826 177.688 175.900 -0.063 0.000 1.145 421 Y CA 1.850 59.920 58.100 -0.050 0.000 1.148 421 Y CB -0.401 38.040 38.460 -0.031 0.000 0.981 421 Y HN 0.199 nan 8.280 nan 0.000 0.507 422 L N -0.074 121.031 121.223 -0.198 0.000 2.046 422 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 422 L C 2.220 178.878 176.870 -0.354 0.000 1.077 422 L CA 1.543 56.262 54.840 -0.201 0.000 0.747 422 L CB -0.649 41.470 42.059 0.099 0.000 0.896 422 L HN 0.189 nan 8.230 nan 0.000 0.432 423 D N 0.030 120.270 120.400 -0.267 0.000 2.097 423 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 423 D C 1.788 177.845 176.300 -0.404 0.000 0.989 423 D CA 1.274 55.081 54.000 -0.321 0.000 0.827 423 D CB -0.232 40.454 40.800 -0.190 0.000 0.966 423 D HN 0.261 nan 8.370 nan 0.000 0.456 424 D N 0.152 120.342 120.400 -0.350 0.000 2.149 424 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 424 D C 2.094 178.095 176.300 -0.499 0.000 0.990 424 D CA 0.312 54.104 54.000 -0.346 0.000 0.839 424 D CB -0.294 40.364 40.800 -0.237 0.000 0.948 424 D HN 0.122 nan 8.370 nan 0.000 0.460 425 L N 0.822 121.619 121.223 -0.711 0.000 2.005 425 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 425 L C 2.321 178.574 176.870 -1.028 0.000 1.072 425 L CA 1.622 55.945 54.840 -0.863 0.000 0.744 425 L CB -0.442 41.112 42.059 -0.842 0.000 0.895 425 L HN -0.129 nan 8.230 nan 0.000 0.433 426 R N -0.943 118.854 120.500 -1.172 0.000 2.094 426 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 426 R C 2.187 178.140 176.300 -0.578 0.000 1.137 426 R CA 2.008 57.393 56.100 -1.192 0.000 0.943 426 R CB -0.356 29.110 30.300 -1.389 0.000 0.850 426 R HN 0.454 nan 8.270 nan 0.000 0.433 427 S N 0.713 116.134 115.700 -0.465 0.000 2.400 427 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 427 S C 1.700 176.163 174.600 -0.227 0.000 1.025 427 S CA 1.533 59.565 58.200 -0.281 0.000 0.993 427 S CB -0.218 62.840 63.200 -0.237 0.000 0.808 427 S HN 0.403 nan 8.310 nan 0.000 0.478 428 K N 0.997 121.208 120.400 -0.314 0.000 2.002 428 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 428 K C 1.776 178.368 176.600 -0.014 0.000 1.048 428 K CA 1.414 57.571 56.287 -0.216 0.000 0.930 428 K CB -0.354 31.945 32.500 -0.335 0.000 0.714 428 K HN 0.418 nan 8.250 nan 0.000 0.438 429 F N 0.445 120.317 119.950 -0.130 0.000 2.171 429 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 429 F C 2.154 177.895 175.800 -0.099 0.000 1.090 429 F CA -0.124 57.815 58.000 -0.102 0.000 1.293 429 F CB -0.060 38.930 39.000 -0.016 0.000 1.013 429 F HN 0.076 nan 8.300 nan 0.000 0.486 430 L N 0.003 121.275 121.223 0.081 0.000 2.093 430 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 430 L C 2.182 179.062 176.870 0.017 0.000 1.085 430 L CA 1.297 56.157 54.840 0.033 0.000 0.755 430 L CB -1.013 41.034 42.059 -0.020 0.000 0.904 430 L HN 0.149 nan 8.230 nan 0.000 0.435 431 L N -0.946 120.276 121.223 -0.001 0.000 2.056 431 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 431 L C 2.394 179.267 176.870 0.005 0.000 1.078 431 L CA 1.225 56.074 54.840 0.014 0.000 0.749 431 L CB -0.150 41.917 42.059 0.013 0.000 0.901 431 L HN 0.292 nan 8.230 nan 0.000 0.433 432 E N 0.066 120.211 120.200 -0.091 0.000 2.065 432 E HA -0.296 4.054 4.350 -0.000 0.000 0.201 432 E C 1.879 178.449 176.600 -0.050 0.000 1.016 432 E CA 1.944 58.136 56.400 -0.347 0.000 0.818 432 E CB -0.183 29.067 29.700 -0.750 0.000 0.749 432 E HN 0.517 nan 8.360 nan 0.000 0.453 433 N N -0.001 118.692 118.700 -0.012 0.000 2.149 433 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 433 N C 1.755 177.301 175.510 0.061 0.000 1.019 433 N CA 1.251 54.323 53.050 0.037 0.000 0.857 433 N CB -0.252 38.257 38.487 0.035 0.000 0.997 433 N HN -0.026 nan 8.380 nan 0.000 0.426 434 S N -0.538 115.198 115.700 0.060 0.000 2.453 434 S HA 0.027 4.497 4.470 -0.000 0.000 0.231 434 S C 2.063 176.719 174.600 0.093 0.000 1.005 434 S CA 0.245 58.492 58.200 0.078 0.000 0.949 434 S CB 0.042 63.284 63.200 0.070 0.000 0.774 434 S HN 0.087 nan 8.310 nan 0.000 0.510 435 V N 2.246 122.225 119.914 0.109 0.000 2.323 435 V HA -0.102 4.018 4.120 -0.000 0.000 0.244 435 V C 2.130 178.306 176.094 0.136 0.000 1.041 435 V CA 1.314 63.692 62.300 0.131 0.000 1.025 435 V CB -0.728 31.217 31.823 0.204 0.000 0.656 435 V HN 0.420 nan 8.190 nan 0.000 0.451 436 L N -0.205 121.117 121.223 0.164 0.000 1.990 436 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 436 L C 2.587 179.539 176.870 0.137 0.000 1.072 436 L CA 2.023 56.946 54.840 0.137 0.000 0.755 436 L CB -0.852 41.280 42.059 0.122 0.000 0.889 436 L HN 0.290 nan 8.230 nan 0.000 0.432 437 K N -0.361 120.109 120.400 0.116 0.000 2.026 437 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 437 K C 2.162 178.885 176.600 0.204 0.000 1.048 437 K CA 1.712 58.090 56.287 0.151 0.000 0.929 437 K CB -0.286 32.281 32.500 0.111 0.000 0.713 437 K HN 0.260 nan 8.250 nan 0.000 0.439 438 M N 1.472 121.160 119.600 0.147 0.000 2.082 438 M HA -0.278 4.202 4.480 -0.000 0.000 0.258 438 M C 1.741 178.100 176.300 0.099 0.000 1.069 438 M CA 1.838 57.206 55.300 0.112 0.000 1.102 438 M CB -0.014 32.622 32.600 0.061 0.000 1.336 438 M HN 0.128 nan 8.290 nan 0.000 0.404 439 E N -0.858 119.403 120.200 0.102 0.000 2.028 439 E HA -0.260 4.090 4.350 -0.000 0.000 0.191 439 E C 1.802 178.459 176.600 0.096 0.000 0.988 439 E CA 1.728 58.176 56.400 0.080 0.000 0.799 439 E CB -0.535 29.205 29.700 0.067 0.000 0.755 439 E HN 0.648 nan 8.360 nan 0.000 0.447 440 Y N 1.187 121.505 120.300 0.030 0.000 2.173 440 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 440 Y C 1.875 177.793 175.900 0.030 0.000 1.192 440 Y CA 1.669 59.785 58.100 0.027 0.000 1.176 440 Y CB -0.193 38.283 38.460 0.027 0.000 0.969 440 Y HN -0.005 nan 8.280 nan 0.000 0.519 441 A N -0.476 122.332 122.820 -0.020 0.000 2.307 441 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 441 A C 0.631 178.177 177.584 -0.064 0.000 1.228 441 A CA 0.551 52.529 52.037 -0.099 0.000 0.857 441 A CB -0.696 18.344 19.000 0.066 0.000 0.897 441 A HN 0.531 nan 8.150 nan 0.000 0.495 442 D N -0.061 120.316 120.400 -0.038 0.000 2.813 442 D HA -0.133 4.507 4.640 -0.000 0.000 0.218 442 D C 0.209 176.522 176.300 0.022 0.000 1.240 442 D CA 1.124 55.127 54.000 0.004 0.000 0.644 442 D CB -1.081 39.724 40.800 0.008 0.000 0.966 442 D HN 0.625 nan 8.370 nan 0.000 0.398 443 V N -2.287 117.641 119.914 0.023 0.000 3.096 443 V HA 0.623 4.743 4.120 -0.000 0.000 0.319 443 V C 1.019 177.108 176.094 -0.008 0.000 1.103 443 V CA -0.790 61.521 62.300 0.019 0.000 1.016 443 V CB 2.250 34.091 31.823 0.030 0.000 1.090 443 V HN 0.048 nan 8.190 nan 0.000 0.449 444 R N 0.510 120.996 120.500 -0.023 0.000 2.546 444 R HA 0.389 4.729 4.340 -0.000 0.000 0.320 444 R C -0.110 176.163 176.300 -0.046 0.000 1.021 444 R CA 0.111 56.171 56.100 -0.066 0.000 1.088 444 R CB 1.084 31.333 30.300 -0.085 0.000 1.278 444 R HN 0.802 nan 8.270 nan 0.000 0.557 445 V N -0.659 119.221 119.914 -0.057 0.000 2.427 445 V HA 0.514 4.634 4.120 -0.000 0.000 0.286 445 V C -0.607 175.356 176.094 -0.218 0.000 1.034 445 V CA -1.080 61.141 62.300 -0.132 0.000 0.893 445 V CB 1.548 33.256 31.823 -0.192 0.000 0.982 445 V HN -0.042 nan 8.190 nan 0.000 0.452 446 L N 5.360 126.437 121.223 -0.243 0.000 2.325 446 L HA 0.609 4.949 4.340 -0.000 0.000 0.281 446 L C -0.464 176.269 176.870 -0.229 0.000 1.004 446 L CA -0.173 54.567 54.840 -0.168 0.000 0.823 446 L CB 1.236 43.249 42.059 -0.076 0.000 1.236 446 L HN 0.771 nan 8.230 nan 0.000 0.415 447 H N 7.410 126.498 119.070 0.030 0.000 2.641 447 H HA 0.402 4.958 4.556 -0.000 0.000 0.295 447 H C -0.048 175.297 175.328 0.028 0.000 1.070 447 H CA -0.084 55.984 56.048 0.032 0.000 1.257 447 H CB 1.654 31.439 29.762 0.038 0.000 1.393 447 H HN 0.649 nan 8.280 nan 0.000 0.464 448 L N 1.971 123.265 121.223 0.118 0.000 3.333 448 L HA 0.301 4.641 4.340 -0.000 0.000 0.299 448 L C 0.845 177.744 176.870 0.048 0.000 1.256 448 L CA -0.217 54.663 54.840 0.066 0.000 1.037 448 L CB 0.686 42.757 42.059 0.021 0.000 1.423 448 L HN 0.462 nan 8.230 nan 0.000 0.605 449 A N -0.651 122.217 122.820 0.079 0.000 2.498 449 A HA 0.216 4.536 4.320 -0.000 0.000 0.239 449 A C 0.447 178.068 177.584 0.062 0.000 1.068 449 A CA 0.354 52.411 52.037 0.033 0.000 0.766 449 A CB -0.176 18.895 19.000 0.119 0.000 1.003 449 A HN 0.570 nan 8.150 nan 0.000 0.497 450 H N 0.731 119.852 119.070 0.084 0.000 2.880 450 H HA -0.088 4.468 4.556 -0.000 0.000 0.304 450 H C 0.060 175.396 175.328 0.014 0.000 1.259 450 H CA 1.111 57.182 56.048 0.038 0.000 1.153 450 H CB -0.871 28.890 29.762 -0.003 0.000 1.395 450 H HN 0.748 nan 8.280 nan 0.000 0.420 451 K N 0.352 120.781 120.400 0.049 0.000 2.402 451 K HA 0.039 4.359 4.320 -0.000 0.000 0.204 451 K C 0.447 177.037 176.600 -0.017 0.000 1.056 451 K CA 0.220 56.520 56.287 0.022 0.000 1.069 451 K CB 0.695 33.199 32.500 0.007 0.000 0.888 451 K HN 0.282 nan 8.250 nan 0.000 0.546 452 D N 1.502 121.893 120.400 -0.015 0.000 2.689 452 D HA -0.184 4.456 4.640 -0.000 0.000 0.237 452 D C -0.841 175.411 176.300 -0.079 0.000 1.148 452 D CA 0.387 54.363 54.000 -0.040 0.000 0.656 452 D CB -1.231 39.545 40.800 -0.040 0.000 1.050 452 D HN 0.195 nan 8.370 nan 0.000 0.426 453 L N 0.220 121.398 121.223 -0.076 0.000 2.367 453 L HA 0.306 4.646 4.340 -0.000 0.000 0.275 453 L C 2.044 178.856 176.870 -0.097 0.000 1.129 453 L CA 0.478 55.259 54.840 -0.099 0.000 0.839 453 L CB 1.070 43.079 42.059 -0.084 0.000 1.133 453 L HN 0.277 nan 8.230 nan 0.000 0.453 454 T N -0.837 113.646 114.554 -0.118 0.000 2.985 454 T HA 0.254 4.604 4.350 -0.000 0.000 0.254 454 T C 0.178 174.816 174.700 -0.103 0.000 1.021 454 T CA -0.199 61.837 62.100 -0.106 0.000 0.957 454 T CB 0.635 69.435 68.868 -0.114 0.000 1.047 454 T HN 0.322 nan 8.240 nan 0.000 0.511 455 V N 0.319 120.163 119.914 -0.117 0.000 3.242 455 V HA 0.551 4.670 4.120 -0.000 0.000 0.298 455 V C -1.969 174.058 176.094 -0.112 0.000 1.352 455 V CA -1.428 60.809 62.300 -0.106 0.000 1.052 455 V CB 2.307 34.064 31.823 -0.110 0.000 1.101 455 V HN 0.387 nan 8.190 nan 0.000 0.446 456 L N 3.263 124.427 121.223 -0.098 0.000 2.322 456 L HA 0.755 5.095 4.340 -0.000 0.000 0.279 456 L C -0.617 176.181 176.870 -0.119 0.000 1.036 456 L CA -0.325 54.458 54.840 -0.095 0.000 0.807 456 L CB 1.651 43.665 42.059 -0.074 0.000 1.226 456 L HN 0.691 nan 8.230 nan 0.000 0.433 457 C N -0.115 119.101 119.300 -0.141 0.000 3.154 457 C HA 0.449 4.909 4.460 -0.000 0.000 0.312 457 C C 0.302 175.201 174.990 -0.152 0.000 1.349 457 C CA -0.594 58.279 59.018 -0.241 0.000 1.518 457 C CB 1.434 28.925 27.740 -0.414 0.000 1.934 457 C HN 0.965 nan 8.230 nan 0.000 0.462 458 H N -0.313 118.737 119.070 -0.034 0.000 2.822 458 H HA -0.140 4.416 4.556 -0.000 0.000 0.295 458 H C 0.935 176.226 175.328 -0.062 0.000 1.151 458 H CA 0.962 57.004 56.048 -0.010 0.000 1.151 458 H CB -1.558 28.256 29.762 0.086 0.000 1.343 458 H HN 0.604 nan 8.280 nan 0.000 0.382 459 L N 0.649 121.847 121.223 -0.042 0.000 2.201 459 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 459 L C 2.576 179.390 176.870 -0.093 0.000 1.105 459 L CA 1.651 56.454 54.840 -0.061 0.000 0.775 459 L CB -0.216 41.795 42.059 -0.079 0.000 0.913 459 L HN 0.312 nan 8.230 nan 0.000 0.440 460 E N 0.074 120.166 120.200 -0.181 0.000 2.463 460 E HA -0.236 4.114 4.350 -0.000 0.000 0.201 460 E C 1.342 177.900 176.600 -0.071 0.000 1.045 460 E CA 0.897 57.200 56.400 -0.162 0.000 0.872 460 E CB -0.161 29.341 29.700 -0.329 0.000 0.797 460 E HN 0.535 nan 8.360 nan 0.000 0.538 461 Q N 0.239 120.025 119.800 -0.023 0.000 2.425 461 Q HA 0.178 4.518 4.340 -0.000 0.000 0.204 461 Q C 1.370 177.342 176.000 -0.046 0.000 0.933 461 Q CA 0.323 56.118 55.803 -0.013 0.000 0.939 461 Q CB 0.354 29.122 28.738 0.050 0.000 1.044 461 Q HN 0.410 nan 8.270 nan 0.000 0.513 462 L N 0.646 121.833 121.223 -0.059 0.000 2.984 462 L HA 0.138 4.478 4.340 -0.000 0.000 0.246 462 L C 1.405 178.192 176.870 -0.138 0.000 1.268 462 L CA -0.221 54.564 54.840 -0.092 0.000 1.054 462 L CB -0.145 41.872 42.059 -0.070 0.000 1.393 462 L HN 0.036 nan 8.230 nan 0.000 0.532 463 L N 0.496 121.630 121.223 -0.148 0.000 2.263 463 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 463 L C 1.812 178.500 176.870 -0.304 0.000 1.111 463 L CA 1.987 56.711 54.840 -0.194 0.000 0.773 463 L CB -0.163 41.805 42.059 -0.152 0.000 0.906 463 L HN 0.393 nan 8.230 nan 0.000 0.439 464 L N -1.716 119.304 121.223 -0.338 0.000 2.585 464 L HA 0.158 4.498 4.340 -0.000 0.000 0.226 464 L C 0.473 177.138 176.870 -0.341 0.000 1.113 464 L CA -0.530 54.030 54.840 -0.466 0.000 0.876 464 L CB 0.093 41.737 42.059 -0.691 0.000 1.072 464 L HN -0.174 nan 8.230 nan 0.000 0.468 465 V N 1.229 121.000 119.914 -0.239 0.000 2.521 465 V HA -0.046 4.074 4.120 -0.000 0.000 0.286 465 V C 1.621 177.621 176.094 -0.156 0.000 1.034 465 V CA 0.910 63.110 62.300 -0.168 0.000 1.045 465 V CB 1.110 32.856 31.823 -0.130 0.000 0.974 465 V HN 0.449 nan 8.190 nan 0.000 0.480 466 T N 1.035 115.525 114.554 -0.106 0.000 3.040 466 T HA 0.128 4.478 4.350 -0.000 0.000 0.252 466 T C 0.587 175.126 174.700 -0.268 0.000 1.064 466 T CA 0.417 62.438 62.100 -0.131 0.000 1.110 466 T CB 0.076 68.948 68.868 0.007 0.000 0.921 466 T HN 0.670 nan 8.240 nan 0.000 0.480 467 H N 0.085 119.092 119.070 -0.105 0.000 2.759 467 H HA 0.629 5.185 4.556 -0.000 0.000 0.354 467 H C -1.773 173.476 175.328 -0.131 0.000 1.074 467 H CA -0.953 55.033 56.048 -0.102 0.000 1.226 467 H CB 2.374 32.078 29.762 -0.097 0.000 1.648 467 H HN 0.120 nan 8.280 nan 0.000 0.529 468 L N 3.418 124.627 121.223 -0.024 0.000 2.406 468 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 468 L C -0.972 175.876 176.870 -0.038 0.000 0.980 468 L CA -0.467 54.338 54.840 -0.057 0.000 0.831 468 L CB 1.689 43.707 42.059 -0.069 0.000 1.253 468 L HN 0.502 nan 8.230 nan 0.000 0.406 469 D N 4.855 125.232 120.400 -0.039 0.000 2.412 469 D HA 0.314 4.954 4.640 -0.000 0.000 0.224 469 D C 0.141 176.437 176.300 -0.005 0.000 1.093 469 D CA 0.006 54.008 54.000 0.003 0.000 0.850 469 D CB 0.967 41.812 40.800 0.073 0.000 1.046 469 D HN 0.697 nan 8.370 nan 0.000 0.507 470 L N 2.449 123.652 121.223 -0.034 0.000 2.857 470 L HA 0.128 4.468 4.340 -0.000 0.000 0.249 470 L C 0.924 177.743 176.870 -0.084 0.000 1.172 470 L CA -0.282 54.527 54.840 -0.051 0.000 0.980 470 L CB 0.079 42.101 42.059 -0.062 0.000 1.299 470 L HN 0.265 nan 8.230 nan 0.000 0.535 471 S N -1.256 114.388 115.700 -0.093 0.000 2.589 471 S HA 0.076 4.546 4.470 -0.000 0.000 0.265 471 S C 0.465 174.916 174.600 -0.249 0.000 1.342 471 S CA -0.282 57.790 58.200 -0.214 0.000 1.005 471 S CB 0.206 63.257 63.200 -0.248 0.000 0.909 471 S HN 0.420 nan 8.310 nan 0.000 0.555 472 H N 0.555 119.498 119.070 -0.212 0.000 2.672 472 H HA -0.108 4.448 4.556 -0.000 0.000 0.325 472 H C -0.193 174.994 175.328 -0.234 0.000 1.158 472 H CA 0.837 56.711 56.048 -0.290 0.000 1.134 472 H CB -2.054 27.283 29.762 -0.708 0.000 1.553 472 H HN 0.677 nan 8.280 nan 0.000 0.419 473 N N 0.046 118.702 118.700 -0.073 0.000 3.439 473 N HA 0.337 5.077 4.740 -0.000 0.000 0.343 473 N C 0.612 176.093 175.510 -0.049 0.000 1.597 473 N CA -0.776 52.242 53.050 -0.054 0.000 0.733 473 N CB 1.076 39.523 38.487 -0.067 0.000 1.973 473 N HN 0.177 nan 8.380 nan 0.000 0.646 474 R N 0.604 121.072 120.500 -0.053 0.000 2.748 474 R HA 0.419 4.759 4.340 -0.000 0.000 0.395 474 R C -0.459 175.808 176.300 -0.056 0.000 1.128 474 R CA -0.242 55.828 56.100 -0.049 0.000 1.042 474 R CB -0.064 30.208 30.300 -0.045 0.000 1.392 474 R HN 0.349 nan 8.270 nan 0.000 0.582 475 L N 0.851 122.038 121.223 -0.062 0.000 2.453 475 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 475 L C 1.540 178.378 176.870 -0.053 0.000 1.182 475 L CA 0.306 55.109 54.840 -0.061 0.000 0.858 475 L CB 0.669 42.688 42.059 -0.066 0.000 1.120 475 L HN 0.149 nan 8.230 nan 0.000 0.474 476 R N 2.163 122.634 120.500 -0.049 0.000 2.282 476 R HA 0.363 4.703 4.340 -0.000 0.000 0.195 476 R C 0.002 176.278 176.300 -0.040 0.000 0.909 476 R CA 0.165 56.240 56.100 -0.041 0.000 1.039 476 R CB 0.725 31.003 30.300 -0.036 0.000 1.015 476 R HN 0.739 nan 8.270 nan 0.000 0.513 477 A N 0.705 123.500 122.820 -0.043 0.000 2.594 477 A HA 0.571 4.891 4.320 -0.000 0.000 0.291 477 A C -1.337 176.220 177.584 -0.045 0.000 1.105 477 A CA -0.700 51.313 52.037 -0.040 0.000 0.694 477 A CB 1.275 20.253 19.000 -0.035 0.000 1.291 477 A HN 0.079 nan 8.150 nan 0.000 0.410 478 L N 2.566 123.763 121.223 -0.044 0.000 2.259 478 L HA 0.390 4.730 4.340 -0.000 0.000 0.288 478 L C -2.072 174.773 176.870 -0.042 0.000 1.051 478 L CA -1.743 53.069 54.840 -0.047 0.000 0.824 478 L CB 1.131 43.161 42.059 -0.048 0.000 1.206 478 L HN 0.496 nan 8.230 nan 0.000 0.429 479 P HA 0.222 nan 4.420 nan 0.000 0.274 479 P C -2.316 174.964 177.300 -0.033 0.000 1.256 479 P CA -1.700 61.379 63.100 -0.035 0.000 0.795 479 P CB 0.386 32.065 31.700 -0.035 0.000 1.038 480 P HA -0.086 nan 4.420 nan 0.000 0.222 480 P C 1.236 178.522 177.300 -0.023 0.000 1.147 480 P CA 1.680 64.765 63.100 -0.026 0.000 0.790 480 P CB -0.445 31.244 31.700 -0.018 0.000 0.780 481 A N -0.997 121.813 122.820 -0.017 0.000 2.167 481 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 481 A C 1.849 179.410 177.584 -0.039 0.000 1.151 481 A CA 0.554 52.585 52.037 -0.011 0.000 0.735 481 A CB -1.373 17.623 19.000 -0.007 0.000 0.802 481 A HN 0.133 nan 8.150 nan 0.000 0.467 482 L N -0.608 120.588 121.223 -0.046 0.000 2.450 482 L HA -0.034 4.306 4.340 -0.000 0.000 0.224 482 L C 2.451 179.286 176.870 -0.059 0.000 1.149 482 L CA 1.302 56.109 54.840 -0.056 0.000 0.816 482 L CB -0.420 41.606 42.059 -0.055 0.000 0.932 482 L HN 0.372 nan 8.230 nan 0.000 0.449 483 A N -0.789 121.999 122.820 -0.052 0.000 2.125 483 A HA -0.062 4.257 4.320 -0.000 0.000 0.219 483 A C 2.407 179.955 177.584 -0.060 0.000 1.156 483 A CA 1.209 53.212 52.037 -0.058 0.000 0.671 483 A CB -0.737 18.227 19.000 -0.060 0.000 0.794 483 A HN 0.479 nan 8.150 nan 0.000 0.459 484 A N -0.680 122.106 122.820 -0.056 0.000 2.125 484 A HA 0.130 4.450 4.320 -0.000 0.000 0.219 484 A C 0.954 178.486 177.584 -0.087 0.000 1.156 484 A CA 0.601 52.602 52.037 -0.059 0.000 0.671 484 A CB -0.424 18.538 19.000 -0.064 0.000 0.794 484 A HN 0.365 nan 8.150 nan 0.000 0.459 485 L N 1.188 122.355 121.223 -0.093 0.000 2.416 485 L HA 0.121 4.461 4.340 -0.000 0.000 0.243 485 L C 1.434 178.227 176.870 -0.129 0.000 1.373 485 L CA 0.301 55.071 54.840 -0.116 0.000 1.227 485 L CB -0.416 41.580 42.059 -0.105 0.000 1.428 485 L HN 0.265 nan 8.230 nan 0.000 0.425 486 R N -0.466 119.945 120.500 -0.150 0.000 2.323 486 R HA 0.022 4.362 4.340 -0.000 0.000 0.198 486 R C 0.927 177.106 176.300 -0.200 0.000 0.988 486 R CA 0.414 56.422 56.100 -0.152 0.000 1.041 486 R CB -0.217 30.002 30.300 -0.135 0.000 0.926 486 R HN 0.519 nan 8.270 nan 0.000 0.476 487 C N 0.406 119.562 119.300 -0.241 0.000 3.183 487 C HA 0.248 4.708 4.460 -0.000 0.000 0.285 487 C C 0.513 175.400 174.990 -0.172 0.000 1.313 487 C CA -0.924 57.962 59.018 -0.221 0.000 1.711 487 C CB -0.845 26.722 27.740 -0.288 0.000 2.135 487 C HN 0.279 nan 8.230 nan 0.000 0.651 488 L N 2.125 123.250 121.223 -0.163 0.000 2.462 488 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 488 L C 0.976 177.741 176.870 -0.175 0.000 1.166 488 L CA 1.269 56.007 54.840 -0.169 0.000 0.880 488 L CB 0.198 42.172 42.059 -0.141 0.000 1.142 488 L HN 0.280 nan 8.230 nan 0.000 0.473 489 E N 3.133 123.184 120.200 -0.248 0.000 2.256 489 E HA 0.164 4.514 4.350 -0.000 0.000 0.198 489 E C -0.595 175.855 176.600 -0.251 0.000 0.908 489 E CA 0.257 56.509 56.400 -0.247 0.000 0.915 489 E CB 0.680 30.196 29.700 -0.307 0.000 0.890 489 E HN 0.425 nan 8.360 nan 0.000 0.484 490 V N 2.668 122.373 119.914 -0.348 0.000 2.443 490 V HA 0.246 4.366 4.120 -0.000 0.000 0.293 490 V C -1.122 174.893 176.094 -0.132 0.000 1.021 490 V CA -0.769 61.405 62.300 -0.209 0.000 0.848 490 V CB 1.870 33.596 31.823 -0.161 0.000 0.998 490 V HN 0.088 nan 8.190 nan 0.000 0.424 491 L N 5.088 126.259 121.223 -0.087 0.000 2.294 491 L HA 0.672 5.011 4.340 -0.000 0.000 0.283 491 L C -0.289 176.553 176.870 -0.047 0.000 1.015 491 L CA -0.374 54.426 54.840 -0.068 0.000 0.831 491 L CB 1.552 43.568 42.059 -0.073 0.000 1.217 491 L HN 0.762 nan 8.230 nan 0.000 0.420 492 Q N 4.730 124.509 119.800 -0.035 0.000 2.430 492 Q HA 0.675 5.015 4.340 -0.000 0.000 0.245 492 Q C -0.459 175.505 176.000 -0.060 0.000 1.021 492 Q CA 0.350 56.132 55.803 -0.035 0.000 0.867 492 Q CB 1.293 30.027 28.738 -0.005 0.000 1.210 492 Q HN 0.722 nan 8.270 nan 0.000 0.487 493 A N 3.128 125.902 122.820 -0.077 0.000 2.610 493 A HA 0.382 4.702 4.320 -0.000 0.000 0.291 493 A C 0.048 177.559 177.584 -0.122 0.000 1.116 493 A CA -0.414 51.567 52.037 -0.093 0.000 0.963 493 A CB 0.398 19.352 19.000 -0.076 0.000 1.220 493 A HN 0.577 nan 8.150 nan 0.000 0.530 494 S N 1.488 117.101 115.700 -0.146 0.000 2.569 494 S HA 0.231 4.701 4.470 -0.000 0.000 0.274 494 S C 0.029 174.464 174.600 -0.276 0.000 1.353 494 S CA 0.369 58.458 58.200 -0.185 0.000 1.023 494 S CB 0.086 63.168 63.200 -0.198 0.000 0.876 494 S HN 0.565 nan 8.310 nan 0.000 0.540 495 D N 1.263 121.526 120.400 -0.229 0.000 2.718 495 D HA -0.135 4.505 4.640 -0.000 0.000 0.242 495 D C -0.170 176.031 176.300 -0.164 0.000 1.123 495 D CA 0.652 54.515 54.000 -0.228 0.000 0.690 495 D CB -1.106 39.420 40.800 -0.457 0.000 1.059 495 D HN 0.472 nan 8.370 nan 0.000 0.429 496 N N -0.559 118.073 118.700 -0.114 0.000 3.369 496 N HA 0.638 5.378 4.740 -0.000 0.000 0.362 496 N C 0.026 175.502 175.510 -0.058 0.000 1.523 496 N CA -0.181 52.820 53.050 -0.083 0.000 0.684 496 N CB 0.991 39.426 38.487 -0.087 0.000 1.796 496 N HN 0.059 nan 8.380 nan 0.000 0.641 497 A N 0.741 123.531 122.820 -0.050 0.000 2.676 497 A HA 0.386 4.706 4.320 -0.000 0.000 0.297 497 A C -0.128 177.432 177.584 -0.039 0.000 1.132 497 A CA -0.310 51.704 52.037 -0.039 0.000 0.972 497 A CB -0.492 18.488 19.000 -0.033 0.000 1.197 497 A HN 0.380 nan 8.150 nan 0.000 0.524 498 L N 0.856 122.052 121.223 -0.045 0.000 2.453 498 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 498 L C 1.459 178.308 176.870 -0.035 0.000 1.182 498 L CA 0.237 55.051 54.840 -0.042 0.000 0.858 498 L CB 0.760 42.790 42.059 -0.048 0.000 1.120 498 L HN 0.739 nan 8.230 nan 0.000 0.474 499 E N 1.265 121.446 120.200 -0.032 0.000 2.572 499 E HA 0.091 4.441 4.350 -0.000 0.000 0.220 499 E C -0.043 176.541 176.600 -0.026 0.000 0.945 499 E CA -0.347 56.037 56.400 -0.027 0.000 1.070 499 E CB 0.658 30.344 29.700 -0.023 0.000 1.090 499 E HN 0.546 nan 8.360 nan 0.000 0.506 500 N N 1.057 119.740 118.700 -0.029 0.000 2.425 500 N HA 0.092 4.832 4.740 -0.000 0.000 0.289 500 N C -0.637 174.854 175.510 -0.032 0.000 1.074 500 N CA -0.489 52.545 53.050 -0.028 0.000 0.905 500 N CB 2.522 40.994 38.487 -0.025 0.000 1.586 500 N HN 0.061 nan 8.380 nan 0.000 0.490 501 V N 0.212 120.107 119.914 -0.031 0.000 2.854 501 V HA 0.423 4.543 4.120 -0.000 0.000 0.366 501 V C 0.460 176.534 176.094 -0.034 0.000 1.322 501 V CA -0.343 61.936 62.300 -0.035 0.000 1.243 501 V CB 0.322 32.123 31.823 -0.036 0.000 1.337 501 V HN 0.382 nan 8.190 nan 0.000 0.585 502 D N 3.002 123.383 120.400 -0.031 0.000 2.144 502 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 502 D C 2.184 178.463 176.300 -0.034 0.000 0.984 502 D CA 2.001 55.983 54.000 -0.030 0.000 0.834 502 D CB -0.161 40.623 40.800 -0.027 0.000 0.955 502 D HN 0.620 nan 8.370 nan 0.000 0.465 503 G N 0.386 109.164 108.800 -0.037 0.000 2.625 503 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.214 503 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.214 503 G C 1.626 176.499 174.900 -0.046 0.000 1.132 503 G CA 0.011 45.087 45.100 -0.041 0.000 0.782 503 G HN 0.212 nan 8.290 nan 0.000 0.538 504 V N 0.862 120.749 119.914 -0.045 0.000 3.217 504 V HA 0.005 4.125 4.120 -0.000 0.000 0.264 504 V C 3.058 179.125 176.094 -0.044 0.000 1.135 504 V CA 1.209 63.480 62.300 -0.048 0.000 1.142 504 V CB -0.254 31.541 31.823 -0.046 0.000 0.754 504 V HN 0.465 nan 8.190 nan 0.000 0.484 505 A N 0.833 123.629 122.820 -0.040 0.000 1.896 505 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 505 A C 1.590 179.152 177.584 -0.037 0.000 1.206 505 A CA 2.332 54.347 52.037 -0.036 0.000 0.647 505 A CB -0.402 18.578 19.000 -0.034 0.000 0.828 505 A HN 0.622 nan 8.150 nan 0.000 0.455 506 N N -0.305 118.369 118.700 -0.042 0.000 2.535 506 N HA 0.302 5.042 4.740 -0.000 0.000 0.294 506 N C -1.111 174.372 175.510 -0.045 0.000 1.408 506 N CA -0.025 53.001 53.050 -0.041 0.000 0.927 506 N CB 0.595 39.056 38.487 -0.045 0.000 1.276 506 N HN 0.356 nan 8.380 nan 0.000 0.505 507 L N 2.495 123.689 121.223 -0.048 0.000 2.283 507 L HA 0.254 4.594 4.340 -0.000 0.000 0.287 507 L C -0.779 176.061 176.870 -0.049 0.000 1.073 507 L CA -1.338 53.468 54.840 -0.055 0.000 0.822 507 L CB 1.278 43.298 42.059 -0.064 0.000 1.186 507 L HN -0.095 nan 8.230 nan 0.000 0.436 508 P HA -0.131 nan 4.420 nan 0.000 0.220 508 P C 0.762 178.040 177.300 -0.036 0.000 1.148 508 P CA 1.224 64.304 63.100 -0.034 0.000 0.803 508 P CB 0.300 31.986 31.700 -0.023 0.000 0.782 509 R N -1.321 119.147 120.500 -0.052 0.000 2.476 509 R HA 0.233 4.573 4.340 -0.000 0.000 0.276 509 R C 0.525 176.784 176.300 -0.069 0.000 0.941 509 R CA -0.655 55.413 56.100 -0.053 0.000 1.088 509 R CB -0.149 30.115 30.300 -0.059 0.000 1.216 509 R HN 0.167 nan 8.270 nan 0.000 0.533 510 L N 2.265 123.446 121.223 -0.070 0.000 2.477 510 L HA -0.001 4.339 4.340 -0.000 0.000 0.272 510 L C 0.934 177.767 176.870 -0.063 0.000 1.157 510 L CA 0.907 55.700 54.840 -0.078 0.000 0.889 510 L CB 0.700 42.716 42.059 -0.073 0.000 1.158 510 L HN 0.075 nan 8.230 nan 0.000 0.473 511 Q N 2.951 122.709 119.800 -0.070 0.000 2.431 511 Q HA 0.240 4.580 4.340 -0.000 0.000 0.244 511 Q C -0.405 175.569 176.000 -0.043 0.000 0.880 511 Q CA 0.301 56.075 55.803 -0.049 0.000 0.954 511 Q CB 0.814 29.526 28.738 -0.044 0.000 1.105 511 Q HN 0.687 nan 8.270 nan 0.000 0.558 512 E N 1.181 121.349 120.200 -0.052 0.000 2.191 512 E HA 0.393 4.743 4.350 -0.000 0.000 0.263 512 E C -1.685 174.888 176.600 -0.046 0.000 0.881 512 E CA -0.497 55.880 56.400 -0.039 0.000 0.757 512 E CB 2.168 31.851 29.700 -0.027 0.000 1.147 512 E HN -0.105 nan 8.360 nan 0.000 0.414 513 L N 4.867 126.067 121.223 -0.039 0.000 2.372 513 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 513 L C -1.761 175.087 176.870 -0.037 0.000 0.989 513 L CA -0.483 54.331 54.840 -0.042 0.000 0.841 513 L CB 0.958 42.991 42.059 -0.043 0.000 1.225 513 L HN 0.501 nan 8.230 nan 0.000 0.414 514 L N 6.577 127.777 121.223 -0.039 0.000 2.262 514 L HA 0.442 4.782 4.340 -0.000 0.000 0.288 514 L C 0.059 176.898 176.870 -0.051 0.000 1.035 514 L CA -0.294 54.523 54.840 -0.039 0.000 0.820 514 L CB 1.109 43.149 42.059 -0.032 0.000 1.204 514 L HN 0.607 nan 8.230 nan 0.000 0.424 515 L N 2.525 123.718 121.223 -0.049 0.000 3.218 515 L HA 0.282 4.622 4.340 -0.000 0.000 0.279 515 L C -0.012 176.825 176.870 -0.055 0.000 1.287 515 L CA -0.332 54.475 54.840 -0.055 0.000 1.024 515 L CB 0.603 42.634 42.059 -0.046 0.000 1.409 515 L HN 0.644 nan 8.230 nan 0.000 0.580 516 C N 0.606 119.871 119.300 -0.058 0.000 2.679 516 C HA 0.041 4.501 4.460 -0.000 0.000 0.417 516 C C 1.249 176.201 174.990 -0.063 0.000 1.302 516 C CA -0.227 58.760 59.018 -0.052 0.000 1.973 516 C CB -0.878 26.835 27.740 -0.046 0.000 2.715 516 C HN 0.814 nan 8.230 nan 0.000 0.628 517 N N 1.916 120.590 118.700 -0.044 0.000 2.681 517 N HA -0.184 4.556 4.740 -0.000 0.000 0.259 517 N C -0.791 174.688 175.510 -0.051 0.000 1.066 517 N CA 0.359 53.385 53.050 -0.041 0.000 0.717 517 N CB -1.103 37.361 38.487 -0.038 0.000 0.885 517 N HN 0.819 nan 8.380 nan 0.000 0.547 518 N N -0.308 118.366 118.700 -0.043 0.000 3.294 518 N HA 0.467 5.207 4.740 -0.000 0.000 0.355 518 N C -0.197 175.294 175.510 -0.032 0.000 1.497 518 N CA -0.839 52.185 53.050 -0.044 0.000 0.707 518 N CB 0.960 39.417 38.487 -0.049 0.000 1.732 518 N HN 0.093 nan 8.380 nan 0.000 0.640 519 R N 0.762 121.244 120.500 -0.031 0.000 2.865 519 R HA 0.333 4.673 4.340 -0.000 0.000 0.370 519 R C -0.937 175.349 176.300 -0.023 0.000 1.168 519 R CA -0.404 55.681 56.100 -0.025 0.000 1.058 519 R CB 0.102 30.387 30.300 -0.024 0.000 1.419 519 R HN 0.235 nan 8.270 nan 0.000 0.580 520 L N 1.894 123.102 121.223 -0.024 0.000 2.315 520 L HA 0.119 4.459 4.340 -0.000 0.000 0.283 520 L C 1.182 178.041 176.870 -0.018 0.000 1.089 520 L CA 0.531 55.358 54.840 -0.022 0.000 0.833 520 L CB 1.260 43.305 42.059 -0.024 0.000 1.170 520 L HN 0.181 nan 8.230 nan 0.000 0.442 521 Q N 1.936 121.726 119.800 -0.016 0.000 2.178 521 Q HA 0.073 4.412 4.340 -0.000 0.000 0.195 521 Q C 0.671 176.664 176.000 -0.012 0.000 0.960 521 Q CA 1.161 56.956 55.803 -0.014 0.000 0.843 521 Q CB 0.372 29.102 28.738 -0.013 0.000 0.927 521 Q HN 0.603 nan 8.270 nan 0.000 0.487 522 Q N -0.011 119.782 119.800 -0.013 0.000 2.165 522 Q HA 0.204 4.543 4.340 -0.000 0.000 0.245 522 Q C 0.341 176.334 176.000 -0.011 0.000 0.841 522 Q CA 0.270 56.066 55.803 -0.011 0.000 1.078 522 Q CB 0.853 29.584 28.738 -0.011 0.000 1.169 522 Q HN 0.311 nan 8.270 nan 0.000 0.475 523 S N 0.427 116.119 115.700 -0.013 0.000 2.427 523 S HA -0.386 4.084 4.470 -0.000 0.000 0.239 523 S C 1.517 176.110 174.600 -0.012 0.000 1.316 523 S CA 1.693 59.885 58.200 -0.012 0.000 1.695 523 S CB -1.041 62.153 63.200 -0.011 0.000 2.284 523 S HN 0.678 nan 8.310 nan 0.000 0.684 524 A N 1.149 123.962 122.820 -0.012 0.000 2.131 524 A HA 0.334 4.654 4.320 -0.000 0.000 0.220 524 A C 2.525 180.101 177.584 -0.014 0.000 1.158 524 A CA 2.207 54.237 52.037 -0.012 0.000 0.665 524 A CB -1.368 17.626 19.000 -0.010 0.000 0.795 524 A HN 1.679 nan 8.150 nan 0.000 0.460 525 A N -0.183 122.628 122.820 -0.015 0.000 1.968 525 A HA 0.023 4.342 4.320 -0.000 0.000 0.217 525 A C 1.812 179.384 177.584 -0.019 0.000 1.169 525 A CA 1.327 53.354 52.037 -0.017 0.000 0.638 525 A CB -0.319 18.670 19.000 -0.019 0.000 0.812 525 A HN 0.414 nan 8.150 nan 0.000 0.446 526 I N -0.017 120.542 120.570 -0.018 0.000 2.928 526 I HA -0.151 4.019 4.170 -0.000 0.000 0.266 526 I C 2.395 178.501 176.117 -0.019 0.000 1.234 526 I CA 1.351 62.639 61.300 -0.020 0.000 1.483 526 I CB -1.274 36.716 38.000 -0.018 0.000 1.097 526 I HN 0.465 nan 8.210 nan 0.000 0.455 527 Q N 2.462 122.252 119.800 -0.017 0.000 2.133 527 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 527 Q C -0.773 175.216 176.000 -0.017 0.000 0.991 527 Q CA 2.317 58.111 55.803 -0.015 0.000 0.867 527 Q CB -1.355 27.375 28.738 -0.014 0.000 0.911 527 Q HN 0.250 nan 8.270 nan 0.000 0.417 528 P HA -0.095 nan 4.420 nan 0.000 0.225 528 P C 0.311 177.598 177.300 -0.023 0.000 1.148 528 P CA 0.957 64.044 63.100 -0.021 0.000 0.779 528 P CB -0.113 31.573 31.700 -0.023 0.000 0.780 529 L N -1.454 119.755 121.223 -0.023 0.000 2.622 529 L HA -0.025 4.315 4.340 -0.000 0.000 0.233 529 L C 2.120 178.977 176.870 -0.022 0.000 1.156 529 L CA 0.488 55.313 54.840 -0.024 0.000 0.866 529 L CB -0.888 41.156 42.059 -0.025 0.000 0.980 529 L HN -0.055 nan 8.230 nan 0.000 0.448 530 V N 0.131 120.033 119.914 -0.019 0.000 2.970 530 V HA -0.178 3.942 4.120 -0.000 0.000 0.260 530 V C 2.348 178.432 176.094 -0.017 0.000 1.100 530 V CA 1.941 64.231 62.300 -0.016 0.000 1.122 530 V CB 0.032 31.846 31.823 -0.014 0.000 0.721 530 V HN 0.666 nan 8.190 nan 0.000 0.483 531 S N -1.662 114.026 115.700 -0.020 0.000 2.548 531 S HA 0.080 4.550 4.470 -0.000 0.000 0.215 531 S C 0.754 175.340 174.600 -0.023 0.000 0.976 531 S CA 0.115 58.303 58.200 -0.020 0.000 0.908 531 S CB -0.985 62.202 63.200 -0.021 0.000 0.781 531 S HN 0.564 nan 8.310 nan 0.000 0.519 532 C N 4.765 124.050 119.300 -0.025 0.000 2.657 532 C HA 0.341 4.801 4.460 -0.000 0.000 0.404 532 C C -0.815 174.160 174.990 -0.024 0.000 1.369 532 C CA -1.054 57.947 59.018 -0.028 0.000 1.665 532 C CB 0.070 27.791 27.740 -0.031 0.000 2.453 532 C HN 0.478 nan 8.230 nan 0.000 0.599 533 P HA 0.025 nan 4.420 nan 0.000 0.240 533 P C 0.839 178.128 177.300 -0.018 0.000 1.190 533 P CA 0.979 64.068 63.100 -0.018 0.000 0.781 533 P CB 0.169 31.860 31.700 -0.016 0.000 0.931 534 R N -1.224 119.263 120.500 -0.022 0.000 2.549 534 R HA 0.236 4.576 4.340 -0.000 0.000 0.344 534 R C -0.021 176.264 176.300 -0.025 0.000 0.979 534 R CA -0.615 55.472 56.100 -0.022 0.000 1.140 534 R CB 0.195 30.481 30.300 -0.024 0.000 1.377 534 R HN 0.075 nan 8.270 nan 0.000 0.541 535 L N 1.043 122.250 121.223 -0.026 0.000 2.410 535 L HA 0.077 4.417 4.340 -0.000 0.000 0.273 535 L C 0.713 177.570 176.870 -0.021 0.000 1.152 535 L CA 0.678 55.502 54.840 -0.028 0.000 0.855 535 L CB 1.440 43.482 42.059 -0.029 0.000 1.129 535 L HN -0.150 nan 8.230 nan 0.000 0.463 536 V N 5.082 124.984 119.914 -0.020 0.000 3.431 536 V HA 0.287 4.407 4.120 -0.000 0.000 0.255 536 V C -0.394 175.692 176.094 -0.013 0.000 1.403 536 V CA 0.003 62.294 62.300 -0.015 0.000 1.101 536 V CB 1.046 32.861 31.823 -0.013 0.000 0.891 536 V HN 0.638 nan 8.190 nan 0.000 0.446 537 L N 1.253 122.466 121.223 -0.016 0.000 2.446 537 L HA 0.699 5.039 4.340 -0.000 0.000 0.268 537 L C -1.495 175.364 176.870 -0.019 0.000 0.975 537 L CA -0.401 54.430 54.840 -0.014 0.000 0.848 537 L CB 1.713 43.766 42.059 -0.011 0.000 1.225 537 L HN 0.087 nan 8.230 nan 0.000 0.410 538 L N 5.192 126.404 121.223 -0.018 0.000 2.319 538 L HA 0.534 4.874 4.340 -0.000 0.000 0.281 538 L C -0.859 176.000 176.870 -0.019 0.000 1.005 538 L CA -0.022 54.805 54.840 -0.021 0.000 0.828 538 L CB 1.406 43.453 42.059 -0.021 0.000 1.227 538 L HN 0.750 nan 8.230 nan 0.000 0.415 539 N N 4.788 123.475 118.700 -0.022 0.000 2.511 539 N HA 0.370 5.110 4.740 -0.000 0.000 0.249 539 N C -0.198 175.298 175.510 -0.024 0.000 0.971 539 N CA -0.374 52.664 53.050 -0.020 0.000 0.938 539 N CB 0.729 39.205 38.487 -0.019 0.000 1.131 539 N HN 0.737 nan 8.380 nan 0.000 0.505 540 L N 2.370 123.581 121.223 -0.021 0.000 2.965 540 L HA 0.221 4.561 4.340 -0.000 0.000 0.254 540 L C 0.321 177.179 176.870 -0.020 0.000 1.220 540 L CA -0.181 54.645 54.840 -0.023 0.000 1.023 540 L CB 0.225 42.272 42.059 -0.020 0.000 1.355 540 L HN 0.500 nan 8.230 nan 0.000 0.545 541 Q N 0.347 120.136 119.800 -0.018 0.000 2.352 541 Q HA 0.324 4.664 4.340 -0.000 0.000 0.260 541 Q C 1.112 177.102 176.000 -0.017 0.000 0.976 541 Q CA 0.658 56.452 55.803 -0.015 0.000 0.881 541 Q CB 0.943 29.674 28.738 -0.011 0.000 1.235 541 Q HN 0.374 nan 8.270 nan 0.000 0.419 542 G N 2.329 111.121 108.800 -0.014 0.000 2.141 542 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 542 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 542 G C -0.330 174.560 174.900 -0.016 0.000 0.982 542 G CA -0.018 45.074 45.100 -0.013 0.000 0.662 542 G HN 0.627 nan 8.290 nan 0.000 0.527 543 N N -0.213 118.477 118.700 -0.017 0.000 2.466 543 N HA 0.554 5.294 4.740 -0.000 0.000 0.294 543 N C 1.208 176.709 175.510 -0.014 0.000 1.129 543 N CA 0.048 53.087 53.050 -0.018 0.000 0.931 543 N CB 1.409 39.883 38.487 -0.021 0.000 1.193 543 N HN 0.233 nan 8.380 nan 0.000 0.500 544 S N 0.340 116.032 115.700 -0.013 0.000 2.603 544 S HA -0.043 4.427 4.470 -0.000 0.000 0.220 544 S C 1.513 176.107 174.600 -0.011 0.000 0.967 544 S CA -0.116 58.077 58.200 -0.011 0.000 0.920 544 S CB -0.614 62.580 63.200 -0.010 0.000 0.773 544 S HN 0.648 nan 8.310 nan 0.000 0.529 545 L N -0.919 120.297 121.223 -0.012 0.000 2.456 545 L HA 0.161 4.501 4.340 -0.000 0.000 0.224 545 L C 1.540 178.404 176.870 -0.010 0.000 1.148 545 L CA 0.700 55.533 54.840 -0.011 0.000 0.825 545 L CB -1.087 40.964 42.059 -0.013 0.000 0.937 545 L HN 0.294 nan 8.230 nan 0.000 0.450 546 C N 0.818 120.112 119.300 -0.010 0.000 2.539 546 C HA 0.109 4.569 4.460 -0.000 0.000 0.271 546 C C 1.973 176.958 174.990 -0.008 0.000 1.412 546 C CA -0.019 58.993 59.018 -0.009 0.000 1.729 546 C CB -0.830 26.904 27.740 -0.010 0.000 1.739 546 C HN 0.649 nan 8.230 nan 0.000 0.570 547 Q N 0.068 119.864 119.800 -0.007 0.000 2.194 547 Q HA 0.177 4.517 4.340 -0.000 0.000 0.214 547 Q C 1.149 177.146 176.000 -0.006 0.000 0.838 547 Q CA 0.017 55.816 55.803 -0.006 0.000 0.972 547 Q CB 0.420 29.155 28.738 -0.006 0.000 1.131 547 Q HN 0.745 nan 8.270 nan 0.000 0.498 548 E N 1.563 121.759 120.200 -0.007 0.000 3.607 548 E HA -0.053 4.297 4.350 -0.000 0.000 0.550 548 E C 0.522 177.118 176.600 -0.006 0.000 0.246 548 E CA 0.101 56.497 56.400 -0.006 0.000 3.269 548 E CB 0.522 30.217 29.700 -0.007 0.000 2.315 548 E HN 0.159 nan 8.360 nan 0.000 0.350 549 E N -0.994 119.203 120.200 -0.006 0.000 2.408 549 E HA 0.015 4.365 4.350 -0.000 0.000 0.289 549 E C 1.131 177.728 176.600 -0.005 0.000 0.770 549 E CA 0.635 57.032 56.400 -0.005 0.000 1.717 549 E CB -0.182 29.515 29.700 -0.005 0.000 1.271 549 E HN 0.488 nan 8.360 nan 0.000 0.567 550 G N 0.393 109.191 108.800 -0.005 0.000 3.735 550 G HA2 0.245 4.205 3.960 -0.000 0.000 0.283 550 G HA3 0.245 4.205 3.960 -0.000 0.000 0.283 550 G C 0.087 174.984 174.900 -0.005 0.000 1.007 550 G CA -0.354 44.743 45.100 -0.004 0.000 0.821 550 G HN 0.362 nan 8.290 nan 0.000 0.505 551 I N -1.962 118.604 120.570 -0.006 0.000 2.907 551 I HA -0.149 4.021 4.170 -0.000 0.000 0.201 551 I C 0.584 176.697 176.117 -0.006 0.000 0.920 551 I CA 0.893 62.189 61.300 -0.006 0.000 2.606 551 I CB 0.082 38.078 38.000 -0.007 0.000 0.713 551 I HN 0.286 nan 8.210 nan 0.000 0.360 552 Q N 2.115 121.911 119.800 -0.007 0.000 4.236 552 Q HA -0.178 4.162 4.340 -0.000 0.000 0.216 552 Q C 0.746 176.743 176.000 -0.005 0.000 0.693 552 Q CA 1.746 57.545 55.803 -0.006 0.000 1.109 552 Q CB -1.231 27.504 28.738 -0.005 0.000 0.670 552 Q HN 0.996 nan 8.270 nan 0.000 1.144 553 E N -0.983 119.213 120.200 -0.005 0.000 2.357 553 E HA 0.189 4.539 4.350 -0.000 0.000 0.202 553 E C 1.745 178.342 176.600 -0.006 0.000 0.855 553 E CA 0.005 56.402 56.400 -0.005 0.000 1.048 553 E CB -0.189 29.509 29.700 -0.004 0.000 1.037 553 E HN 0.203 nan 8.360 nan 0.000 0.499 554 R N 1.081 121.577 120.500 -0.006 0.000 2.075 554 R HA 0.028 4.368 4.340 -0.000 0.000 0.232 554 R C 2.396 178.691 176.300 -0.008 0.000 1.126 554 R CA 1.124 57.220 56.100 -0.007 0.000 0.963 554 R CB -0.142 30.154 30.300 -0.007 0.000 0.858 554 R HN 0.261 nan 8.270 nan 0.000 0.435 555 L N 0.158 121.376 121.223 -0.008 0.000 2.093 555 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 555 L C 2.729 179.594 176.870 -0.009 0.000 1.085 555 L CA 1.134 55.968 54.840 -0.009 0.000 0.755 555 L CB -0.617 41.436 42.059 -0.010 0.000 0.904 555 L HN 0.264 nan 8.230 nan 0.000 0.435 556 A N 0.015 122.831 122.820 -0.008 0.000 1.908 556 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 556 A C 2.205 179.785 177.584 -0.007 0.000 1.181 556 A CA 1.833 53.865 52.037 -0.007 0.000 0.627 556 A CB -0.460 18.537 19.000 -0.006 0.000 0.818 556 A HN 0.438 nan 8.150 nan 0.000 0.445 557 E N -1.154 119.042 120.200 -0.007 0.000 2.072 557 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 557 E C 2.062 178.657 176.600 -0.007 0.000 0.985 557 E CA 1.392 57.788 56.400 -0.006 0.000 0.801 557 E CB -0.177 29.520 29.700 -0.006 0.000 0.750 557 E HN 0.788 nan 8.360 nan 0.000 0.452 558 M N 0.092 119.687 119.600 -0.008 0.000 2.334 558 M HA -0.013 4.467 4.480 -0.000 0.000 0.266 558 M C 0.226 176.520 176.300 -0.010 0.000 1.082 558 M CA 1.228 56.523 55.300 -0.009 0.000 1.141 558 M CB 0.512 33.107 32.600 -0.010 0.000 1.380 558 M HN -0.063 nan 8.290 nan 0.000 0.440 559 L N 1.851 123.068 121.223 -0.010 0.000 2.637 559 L HA 0.329 4.669 4.340 -0.000 0.000 0.241 559 L C -2.047 174.817 176.870 -0.010 0.000 1.398 559 L CA -1.268 53.566 54.840 -0.011 0.000 0.895 559 L CB 0.564 42.616 42.059 -0.013 0.000 1.183 559 L HN 0.031 nan 8.230 nan 0.000 0.497 560 P HA -0.005 nan 4.420 nan 0.000 0.224 560 P C 1.244 178.539 177.300 -0.007 0.000 1.157 560 P CA 0.764 63.859 63.100 -0.007 0.000 0.799 560 P CB 0.482 32.178 31.700 -0.006 0.000 0.809 561 S N -0.566 115.129 115.700 -0.009 0.000 2.561 561 S HA 0.038 4.508 4.470 -0.000 0.000 0.225 561 S C 0.960 175.554 174.600 -0.010 0.000 0.977 561 S CA 0.174 58.369 58.200 -0.009 0.000 0.926 561 S CB -0.466 62.729 63.200 -0.009 0.000 0.769 561 S HN -0.039 nan 8.310 nan 0.000 0.533 562 V N 2.781 122.688 119.914 -0.011 0.000 2.408 562 V HA 0.147 4.267 4.120 -0.000 0.000 0.267 562 V C 0.985 177.073 176.094 -0.010 0.000 1.047 562 V CA -0.118 62.175 62.300 -0.012 0.000 0.937 562 V CB 1.090 32.904 31.823 -0.014 0.000 0.999 562 V HN 0.313 nan 8.190 nan 0.000 0.472 563 S N 3.036 118.731 115.700 -0.009 0.000 2.368 563 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 563 S C 1.021 175.617 174.600 -0.006 0.000 1.029 563 S CA 1.076 59.272 58.200 -0.007 0.000 0.988 563 S CB 0.047 63.244 63.200 -0.005 0.000 0.838 563 S HN 0.689 nan 8.310 nan 0.000 0.462 564 S N 0.737 116.433 115.700 -0.007 0.000 2.707 564 S HA 0.582 5.052 4.470 -0.000 0.000 0.312 564 S C -0.932 173.662 174.600 -0.009 0.000 1.116 564 S CA -0.781 57.415 58.200 -0.007 0.000 1.078 564 S CB 0.123 63.319 63.200 -0.005 0.000 0.997 564 S HN 0.258 nan 8.310 nan 0.000 0.477 565 I N 6.087 126.652 120.570 -0.009 0.000 2.354 565 I HA 0.390 4.560 4.170 -0.000 0.000 0.286 565 I C -0.816 175.295 176.117 -0.009 0.000 1.007 565 I CA -0.670 60.623 61.300 -0.011 0.000 1.167 565 I CB 1.347 39.341 38.000 -0.011 0.000 1.320 565 I HN 0.420 nan 8.210 nan 0.000 0.458 566 L N 6.708 127.925 121.223 -0.010 0.000 2.296 566 L HA 0.638 4.978 4.340 -0.000 0.000 0.286 566 L C 0.383 177.247 176.870 -0.010 0.000 1.023 566 L CA -0.332 54.502 54.840 -0.009 0.000 0.812 566 L CB 1.691 43.746 42.059 -0.008 0.000 1.223 566 L HN 0.638 nan 8.230 nan 0.000 0.421 567 T N 0.000 114.549 114.554 -0.009 0.000 3.816 567 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 567 T CA 0.000 62.094 62.100 -0.009 0.000 1.349 567 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 567 T HN 0.000 nan 8.240 nan 0.000 0.658