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 3fmc_1_A DATA FIRST_RESID 3 DATA SEQUENCE VDKHEVRVGE LAAGQPLSLP VYRFKGKGAG PSVYIQANVH GAEVQGNAVI DATA SEQUENCE YQLXKLLEHY ELLGDISLVP LANPLGINQK SGEFTLGRFD PITGVNWNRE DATA SEQUENCE YLDHGFNIEV WYQEHSHLDD DTLITAFRAT LVEECARRLN NPWGVTTGHR DATA SEQUENCE LAVTLQSXAH RADIVLDLHT GPKSCKHLYC PEYERSAAQY FSIPYTLLIP DATA SEQUENCE NSFGGAXDEA AFVPWWTLAE VASSHGRELG VRVSALTLEL GSQERIDLDD DATA SEQUENCE ALEDAEGILA YLSHRGVIAE TVLPKPXKRY GCFLKNYRKF HAPKAGXVEY DATA SEQUENCE LGKVGVPXKA TDPLVNLLRL DLYGTGEELT VLRLPEDGVP ILHFASASVH DATA SEQUENCE QGTELYKVXT KVFEL 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 175.988 176.094 -0.177 0.000 1.182 3 V CA 0.000 62.045 62.300 -0.425 0.000 1.235 3 V CB 0.000 31.502 31.823 -0.535 0.000 1.184 4 D N 3.925 124.237 120.400 -0.146 0.000 2.424 4 D HA 0.275 4.914 4.640 -0.000 0.000 0.244 4 D C -0.248 176.046 176.300 -0.010 0.000 1.134 4 D CA 0.272 54.243 54.000 -0.047 0.000 0.881 4 D CB 1.381 42.167 40.800 -0.025 0.000 1.191 4 D HN 0.640 nan 8.370 nan 0.000 0.445 5 K N 3.317 123.708 120.400 -0.014 0.000 2.378 5 K HA 0.284 4.604 4.320 -0.000 0.000 0.252 5 K C -0.731 175.844 176.600 -0.042 0.000 0.931 5 K CA -0.726 55.481 56.287 -0.134 0.000 0.794 5 K CB 1.257 33.634 32.500 -0.206 0.000 1.181 5 K HN 0.642 nan 8.250 nan 0.000 0.425 6 H N 0.869 119.818 119.070 -0.201 0.000 2.941 6 H HA 0.475 5.031 4.556 -0.000 0.000 0.344 6 H C -1.269 173.968 175.328 -0.152 0.000 1.235 6 H CA -0.884 55.083 56.048 -0.134 0.000 1.149 6 H CB 1.464 31.179 29.762 -0.079 0.000 1.885 6 H HN 0.563 nan 8.280 nan 0.000 0.558 7 E N 0.706 120.833 120.200 -0.122 0.000 2.212 7 E HA 0.497 4.847 4.350 -0.000 0.000 0.268 7 E C -1.006 175.553 176.600 -0.068 0.000 0.902 7 E CA -1.221 55.081 56.400 -0.164 0.000 0.779 7 E CB 3.199 32.843 29.700 -0.094 0.000 1.172 7 E HN 0.248 nan 8.360 nan 0.000 0.409 8 V N 2.759 122.615 119.914 -0.097 0.000 2.487 8 V HA 0.310 4.430 4.120 -0.000 0.000 0.298 8 V C -0.252 175.824 176.094 -0.030 0.000 1.028 8 V CA -0.819 61.468 62.300 -0.022 0.000 0.860 8 V CB 1.611 33.422 31.823 -0.019 0.000 0.991 8 V HN 0.523 nan 8.190 nan 0.000 0.427 9 R N 3.603 124.096 120.500 -0.011 0.000 2.298 9 R HA 0.412 4.751 4.340 -0.000 0.000 0.310 9 R C 0.428 176.714 176.300 -0.023 0.000 1.068 9 R CA 0.282 56.371 56.100 -0.019 0.000 0.957 9 R CB 1.161 31.456 30.300 -0.009 0.000 1.003 9 R HN 0.636 nan 8.270 nan 0.000 0.454 10 V N 1.015 120.906 119.914 -0.038 0.000 3.502 10 V HA 0.645 4.765 4.120 -0.000 0.000 0.288 10 V C 0.562 176.629 176.094 -0.044 0.000 1.461 10 V CA 0.622 62.894 62.300 -0.047 0.000 1.029 10 V CB 0.084 31.862 31.823 -0.074 0.000 0.843 10 V HN 0.765 nan 8.190 nan 0.000 0.438 11 G N -0.208 108.571 108.800 -0.034 0.000 2.341 11 G HA2 0.535 4.495 3.960 -0.000 0.000 0.299 11 G HA3 0.535 4.495 3.960 -0.000 0.000 0.299 11 G C -1.880 173.010 174.900 -0.015 0.000 1.274 11 G CA 0.097 45.184 45.100 -0.021 0.000 0.853 11 G HN 0.424 nan 8.290 nan 0.000 0.493 12 E N -1.010 119.187 120.200 -0.005 0.000 2.378 12 E HA 0.498 4.847 4.350 -0.000 0.000 0.283 12 E C -1.422 175.182 176.600 0.008 0.000 0.979 12 E CA -0.686 55.714 56.400 -0.002 0.000 0.795 12 E CB 1.946 31.648 29.700 0.003 0.000 1.221 12 E HN 0.490 nan 8.360 nan 0.000 0.428 13 L N 2.641 123.867 121.223 0.005 0.000 2.344 13 L HA 0.527 4.866 4.340 -0.000 0.000 0.272 13 L C 1.476 178.355 176.870 0.015 0.000 1.035 13 L CA -0.211 54.637 54.840 0.013 0.000 0.807 13 L CB 1.412 43.475 42.059 0.007 0.000 1.237 13 L HN 0.895 nan 8.230 nan 0.000 0.442 14 A N 1.998 124.831 122.820 0.021 0.000 1.927 14 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 14 A C 2.099 179.692 177.584 0.015 0.000 1.185 14 A CA 2.247 54.296 52.037 0.021 0.000 0.639 14 A CB -0.738 18.278 19.000 0.026 0.000 0.820 14 A HN 0.880 nan 8.150 nan 0.000 0.451 15 A N -2.529 120.299 122.820 0.013 0.000 2.209 15 A HA 0.385 4.704 4.320 -0.000 0.000 0.212 15 A C 1.861 179.449 177.584 0.006 0.000 1.158 15 A CA 1.407 53.450 52.037 0.009 0.000 0.742 15 A CB -0.757 18.248 19.000 0.009 0.000 0.790 15 A HN 1.948 nan 8.150 nan 0.000 0.472 16 G N -2.002 106.802 108.800 0.006 0.000 2.255 16 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.196 16 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.196 16 G C 0.003 174.903 174.900 -0.000 0.000 0.998 16 G CA -0.029 45.073 45.100 0.003 0.000 0.656 16 G HN 0.493 nan 8.290 nan 0.000 0.490 17 Q N 2.333 122.132 119.800 -0.002 0.000 2.297 17 Q HA 0.454 4.794 4.340 -0.000 0.000 0.267 17 Q C -2.007 173.987 176.000 -0.010 0.000 1.006 17 Q CA -1.088 54.711 55.803 -0.007 0.000 0.896 17 Q CB 1.133 29.866 28.738 -0.009 0.000 1.186 17 Q HN 0.368 nan 8.270 nan 0.000 0.392 18 P HA 0.075 nan 4.420 nan 0.000 0.275 18 P C -0.909 176.375 177.300 -0.028 0.000 1.228 18 P CA -0.155 62.935 63.100 -0.017 0.000 0.786 18 P CB 0.847 32.537 31.700 -0.017 0.000 0.927 19 L N 2.408 123.610 121.223 -0.034 0.000 2.280 19 L HA 0.387 4.727 4.340 -0.000 0.000 0.287 19 L C 0.708 177.545 176.870 -0.056 0.000 1.023 19 L CA -0.114 54.694 54.840 -0.052 0.000 0.819 19 L CB 1.218 43.239 42.059 -0.065 0.000 1.212 19 L HN 0.522 nan 8.230 nan 0.000 0.420 20 S N 3.875 119.538 115.700 -0.061 0.000 2.627 20 S HA 0.816 5.286 4.470 -0.000 0.000 0.283 20 S C -0.925 173.626 174.600 -0.080 0.000 1.127 20 S CA -0.979 57.182 58.200 -0.065 0.000 0.863 20 S CB 2.013 65.180 63.200 -0.056 0.000 1.121 20 S HN 0.392 nan 8.310 nan 0.000 0.479 21 L N 1.143 122.310 121.223 -0.093 0.000 2.354 21 L HA 0.677 5.017 4.340 -0.000 0.000 0.269 21 L C -2.672 174.098 176.870 -0.166 0.000 1.005 21 L CA -2.511 52.264 54.840 -0.108 0.000 0.819 21 L CB 2.418 44.423 42.059 -0.091 0.000 1.311 21 L HN 0.484 nan 8.230 nan 0.000 0.423 22 P HA 0.262 nan 4.420 nan 0.000 0.292 22 P C -1.017 176.034 177.300 -0.415 0.000 1.287 22 P CA -0.421 62.479 63.100 -0.334 0.000 0.800 22 P CB 1.916 33.468 31.700 -0.247 0.000 0.945 23 V N 5.421 124.971 119.914 -0.607 0.000 2.407 23 V HA 0.304 4.424 4.120 -0.000 0.000 0.291 23 V C -0.604 175.201 176.094 -0.481 0.000 1.018 23 V CA -0.517 61.504 62.300 -0.466 0.000 0.842 23 V CB 0.694 32.160 31.823 -0.594 0.000 0.996 23 V HN 0.388 nan 8.190 nan 0.000 0.426 24 Y N 4.081 124.345 120.300 -0.058 0.000 2.341 24 Y HA 0.673 5.223 4.550 -0.000 0.000 0.337 24 Y C 0.645 176.554 175.900 0.014 0.000 1.014 24 Y CA -0.625 57.450 58.100 -0.041 0.000 1.111 24 Y CB 1.499 39.942 38.460 -0.029 0.000 1.194 24 Y HN 0.434 nan 8.280 nan 0.000 0.462 25 R N 3.310 123.864 120.500 0.090 0.000 2.561 25 R HA 0.481 4.821 4.340 -0.000 0.000 0.297 25 R C -1.854 174.417 176.300 -0.048 0.000 0.969 25 R CA -0.915 55.251 56.100 0.110 0.000 0.879 25 R CB 1.794 32.170 30.300 0.126 0.000 1.178 25 R HN 0.498 nan 8.270 nan 0.000 0.445 26 F N 0.744 120.735 119.950 0.069 0.000 2.444 26 F HA 0.239 4.766 4.527 -0.000 0.000 0.342 26 F C 0.717 176.540 175.800 0.040 0.000 1.121 26 F CA -0.631 57.395 58.000 0.044 0.000 0.997 26 F CB 1.799 40.814 39.000 0.025 0.000 1.130 26 F HN 0.050 nan 8.300 nan 0.000 0.454 27 K N 2.301 122.802 120.400 0.168 0.000 2.258 27 K HA 0.647 4.967 4.320 -0.000 0.000 0.284 27 K C 0.286 176.951 176.600 0.109 0.000 1.051 27 K CA -0.336 56.017 56.287 0.111 0.000 0.923 27 K CB 0.813 33.351 32.500 0.064 0.000 1.046 27 K HN 0.885 nan 8.250 nan 0.000 0.474 28 G N 1.370 110.220 108.800 0.084 0.000 2.476 28 G HA2 0.505 4.464 3.960 -0.000 0.000 0.286 28 G HA3 0.505 4.464 3.960 -0.000 0.000 0.286 28 G C -0.396 174.529 174.900 0.043 0.000 1.177 28 G CA -0.404 44.731 45.100 0.059 0.000 0.870 28 G HN 0.882 nan 8.290 nan 0.000 0.528 29 K N 0.234 120.653 120.400 0.032 0.000 2.646 29 K HA 0.768 5.088 4.320 -0.000 0.000 0.210 29 K C 0.168 176.776 176.600 0.014 0.000 1.020 29 K CA 0.033 56.335 56.287 0.024 0.000 1.040 29 K CB 0.950 33.465 32.500 0.026 0.000 1.253 29 K HN 2.257 nan 8.250 nan 0.000 0.532 30 G N -0.746 108.060 108.800 0.009 0.000 2.345 30 G HA2 0.546 4.505 3.960 -0.000 0.000 0.285 30 G HA3 0.546 4.505 3.960 -0.000 0.000 0.285 30 G C -0.236 174.661 174.900 -0.004 0.000 1.297 30 G CA 0.298 45.398 45.100 -0.001 0.000 0.875 30 G HN 1.332 nan 8.290 nan 0.000 0.506 31 A N -0.368 122.443 122.820 -0.015 0.000 2.545 31 A HA 0.709 5.029 4.320 -0.000 0.000 0.277 31 A C 1.132 178.696 177.584 -0.033 0.000 1.301 31 A CA 1.090 53.116 52.037 -0.018 0.000 0.935 31 A CB -0.441 18.547 19.000 -0.019 0.000 1.093 31 A HN 1.937 nan 8.150 nan 0.000 0.519 32 G N 0.754 109.531 108.800 -0.037 0.000 2.569 32 G HA2 0.473 4.433 3.960 -0.000 0.000 0.249 32 G HA3 0.473 4.433 3.960 -0.000 0.000 0.249 32 G C -2.664 172.205 174.900 -0.052 0.000 1.216 32 G CA -1.085 43.980 45.100 -0.060 0.000 0.845 32 G HN 0.194 nan 8.290 nan 0.000 0.568 33 P HA 0.170 nan 4.420 nan 0.000 0.269 33 P C 0.149 177.433 177.300 -0.025 0.000 1.215 33 P CA -0.357 62.709 63.100 -0.058 0.000 0.780 33 P CB 0.889 32.536 31.700 -0.087 0.000 0.898 34 S N 0.622 116.323 115.700 0.002 0.000 2.586 34 S HA 0.551 5.021 4.470 -0.000 0.000 0.274 34 S C -0.192 174.447 174.600 0.065 0.000 1.281 34 S CA -0.610 57.614 58.200 0.040 0.000 1.035 34 S CB 0.532 63.767 63.200 0.059 0.000 0.962 34 S HN 0.209 nan 8.310 nan 0.000 0.512 35 V N 2.611 122.583 119.914 0.095 0.000 2.735 35 V HA 0.499 4.619 4.120 -0.000 0.000 0.310 35 V C -1.337 174.874 176.094 0.194 0.000 1.061 35 V CA -0.848 61.529 62.300 0.128 0.000 0.913 35 V CB 1.487 33.361 31.823 0.085 0.000 1.005 35 V HN 0.945 nan 8.190 nan 0.000 0.428 36 Y N 4.984 125.332 120.300 0.079 0.000 2.338 36 Y HA 0.783 5.333 4.550 -0.000 0.000 0.333 36 Y C -0.832 175.112 175.900 0.073 0.000 0.968 36 Y CA -0.749 57.398 58.100 0.080 0.000 1.123 36 Y CB 1.457 39.962 38.460 0.075 0.000 1.165 36 Y HN 0.573 nan 8.280 nan 0.000 0.452 37 I N 6.802 127.084 120.570 -0.479 0.000 2.465 37 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 37 I C -1.136 174.664 176.117 -0.529 0.000 1.014 37 I CA -0.812 60.290 61.300 -0.330 0.000 1.093 37 I CB 2.104 40.027 38.000 -0.129 0.000 1.267 37 I HN 0.661 nan 8.210 nan 0.000 0.431 38 Q N 5.303 124.912 119.800 -0.319 0.000 2.456 38 Q HA 0.940 5.280 4.340 -0.000 0.000 0.283 38 Q C -1.773 174.149 176.000 -0.130 0.000 1.084 38 Q CA -1.074 54.595 55.803 -0.223 0.000 0.801 38 Q CB 3.058 31.735 28.738 -0.102 0.000 1.434 38 Q HN 0.692 nan 8.270 nan 0.000 0.419 39 A N 1.145 123.893 122.820 -0.120 0.000 2.539 39 A HA 0.606 4.926 4.320 -0.000 0.000 0.296 39 A C -0.315 177.179 177.584 -0.150 0.000 1.073 39 A CA -0.235 51.719 52.037 -0.137 0.000 0.700 39 A CB 1.382 20.329 19.000 -0.088 0.000 1.296 39 A HN 1.097 nan 8.150 nan 0.000 0.405 40 N N 0.367 118.952 118.700 -0.191 0.000 2.815 40 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 40 N C 0.621 176.034 175.510 -0.162 0.000 1.114 40 N CA 0.411 53.373 53.050 -0.147 0.000 0.717 40 N CB -0.840 37.587 38.487 -0.101 0.000 1.074 40 N HN 0.459 nan 8.380 nan 0.000 0.555 41 V N -0.387 119.390 119.914 -0.229 0.000 2.407 41 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 41 V C 0.834 176.854 176.094 -0.122 0.000 1.055 41 V CA 1.757 63.936 62.300 -0.203 0.000 1.049 41 V CB -0.415 31.305 31.823 -0.171 0.000 0.662 41 V HN 0.400 nan 8.190 nan 0.000 0.455 42 H N -0.450 118.621 119.070 0.002 0.000 2.652 42 H HA 0.338 4.893 4.556 -0.000 0.000 0.298 42 H C 1.369 176.690 175.328 -0.012 0.000 1.076 42 H CA 0.052 56.161 56.048 0.102 0.000 1.360 42 H CB 1.329 31.194 29.762 0.171 0.000 1.421 42 H HN 0.224 nan 8.280 nan 0.000 0.464 43 G N 2.823 111.685 108.800 0.104 0.000 2.469 43 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.220 43 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.220 43 G C 1.660 176.508 174.900 -0.088 0.000 1.136 43 G CA 0.855 45.935 45.100 -0.034 0.000 0.759 43 G HN 0.666 nan 8.290 nan 0.000 0.562 44 A N 0.200 122.949 122.820 -0.119 0.000 2.167 44 A HA 0.201 4.520 4.320 -0.000 0.000 0.214 44 A C 1.405 178.940 177.584 -0.082 0.000 1.151 44 A CA 0.433 52.360 52.037 -0.184 0.000 0.735 44 A CB -0.014 18.784 19.000 -0.338 0.000 0.802 44 A HN 0.455 nan 8.150 nan 0.000 0.467 45 E N 0.829 121.019 120.200 -0.016 0.000 2.232 45 E HA 0.155 4.505 4.350 -0.000 0.000 0.296 45 E C 1.060 177.645 176.600 -0.024 0.000 1.372 45 E CA 0.010 56.417 56.400 0.012 0.000 1.527 45 E CB 0.234 29.986 29.700 0.087 0.000 1.424 45 E HN 0.474 nan 8.360 nan 0.000 0.485 46 V N -1.084 118.807 119.914 -0.039 0.000 3.041 46 V HA -0.216 3.903 4.120 -0.000 0.000 0.260 46 V C 2.149 178.221 176.094 -0.037 0.000 1.105 46 V CA 1.099 63.371 62.300 -0.047 0.000 1.125 46 V CB -0.107 31.682 31.823 -0.056 0.000 0.730 46 V HN 0.286 nan 8.190 nan 0.000 0.479 47 Q N 2.275 122.060 119.800 -0.024 0.000 2.181 47 Q HA -0.024 4.316 4.340 -0.000 0.000 0.205 47 Q C 2.124 178.116 176.000 -0.013 0.000 0.980 47 Q CA 2.242 58.036 55.803 -0.016 0.000 0.862 47 Q CB -1.142 27.593 28.738 -0.005 0.000 0.905 47 Q HN 0.639 nan 8.270 nan 0.000 0.429 48 G N 0.498 109.285 108.800 -0.022 0.000 2.475 48 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.220 48 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.220 48 G C 1.337 176.225 174.900 -0.019 0.000 1.125 48 G CA 0.995 46.078 45.100 -0.028 0.000 0.755 48 G HN 0.389 nan 8.290 nan 0.000 0.565 49 N N 1.221 119.908 118.700 -0.021 0.000 2.142 49 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 49 N C 2.561 178.087 175.510 0.027 0.000 1.023 49 N CA 1.276 54.324 53.050 -0.005 0.000 0.852 49 N CB -0.500 37.974 38.487 -0.021 0.000 0.998 49 N HN 0.326 nan 8.380 nan 0.000 0.424 50 A N 0.992 123.819 122.820 0.011 0.000 1.933 50 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 50 A C 2.525 180.165 177.584 0.094 0.000 1.175 50 A CA 1.129 53.189 52.037 0.038 0.000 0.628 50 A CB -0.650 18.347 19.000 -0.005 0.000 0.814 50 A HN 0.106 nan 8.150 nan 0.000 0.444 51 V N 0.174 120.119 119.914 0.052 0.000 2.358 51 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 51 V C 2.399 178.518 176.094 0.042 0.000 1.047 51 V CA 1.952 64.279 62.300 0.045 0.000 1.035 51 V CB -0.685 31.151 31.823 0.022 0.000 0.658 51 V HN 0.573 nan 8.190 nan 0.000 0.452 52 I N -0.936 119.655 120.570 0.035 0.000 2.226 52 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 52 I C 2.451 178.585 176.117 0.028 0.000 1.100 52 I CA 2.123 63.434 61.300 0.018 0.000 1.374 52 I CB -0.438 37.569 38.000 0.012 0.000 1.057 52 I HN 0.381 nan 8.210 nan 0.000 0.413 53 Y N 1.821 122.089 120.300 -0.055 0.000 2.097 53 Y HA -0.332 4.217 4.550 -0.000 0.000 0.282 53 Y C 2.733 178.609 175.900 -0.039 0.000 1.152 53 Y CA 1.759 59.823 58.100 -0.061 0.000 1.136 53 Y CB -0.212 38.218 38.460 -0.050 0.000 0.975 53 Y HN 0.156 nan 8.280 nan 0.000 0.498 54 Q N 0.134 119.975 119.800 0.068 0.000 2.079 54 Q HA -0.094 4.245 4.340 -0.000 0.000 0.200 54 Q C 1.222 177.177 176.000 -0.075 0.000 0.974 54 Q CA 0.696 56.491 55.803 -0.013 0.000 0.840 54 Q CB -0.826 27.962 28.738 0.083 0.000 0.898 54 Q HN 0.420 nan 8.270 nan 0.000 0.430 58 L N 1.775 122.958 121.223 -0.067 0.000 2.027 58 L HA 0.000 4.340 4.340 -0.000 0.000 0.206 58 L C 2.379 179.296 176.870 0.079 0.000 1.074 58 L CA 1.301 56.187 54.840 0.077 0.000 0.745 58 L CB -0.444 41.681 42.059 0.110 0.000 0.898 58 L HN 0.045 nan 8.230 nan 0.000 0.433 59 L N -0.216 120.950 121.223 -0.094 0.000 2.189 59 L HA -0.229 4.110 4.340 -0.000 0.000 0.214 59 L C 2.228 179.017 176.870 -0.134 0.000 1.097 59 L CA 1.099 55.830 54.840 -0.180 0.000 0.764 59 L CB -0.514 41.137 42.059 -0.680 0.000 0.900 59 L HN 0.327 nan 8.230 nan 0.000 0.436 60 E N -0.917 119.156 120.200 -0.212 0.000 2.463 60 E HA -0.152 4.198 4.350 -0.000 0.000 0.201 60 E C 0.705 177.033 176.600 -0.453 0.000 1.045 60 E CA 0.501 56.734 56.400 -0.277 0.000 0.872 60 E CB 0.072 29.552 29.700 -0.367 0.000 0.797 60 E HN 0.590 nan 8.360 nan 0.000 0.538 61 H N -1.707 117.349 119.070 -0.024 0.000 2.662 61 H HA 0.187 4.743 4.556 -0.000 0.000 0.268 61 H C -0.659 174.444 175.328 -0.375 0.000 1.152 61 H CA -0.080 55.858 56.048 -0.183 0.000 1.072 61 H CB 0.021 29.628 29.762 -0.259 0.000 1.660 61 H HN 0.058 nan 8.280 nan 0.000 0.584 62 Y N 0.743 121.050 120.300 0.010 0.000 2.587 62 Y HA 0.274 4.824 4.550 -0.000 0.000 0.337 62 Y C 0.610 176.500 175.900 -0.016 0.000 1.065 62 Y CA -1.066 57.026 58.100 -0.012 0.000 1.126 62 Y CB 1.793 40.221 38.460 -0.053 0.000 1.279 62 Y HN -0.031 nan 8.280 nan 0.000 0.489 63 E N 1.864 122.162 120.200 0.163 0.000 2.046 63 E HA 0.304 4.653 4.350 -0.000 0.000 0.279 63 E C -1.628 175.010 176.600 0.064 0.000 0.989 63 E CA -0.651 55.799 56.400 0.084 0.000 0.798 63 E CB 0.391 30.125 29.700 0.057 0.000 1.086 63 E HN 0.423 nan 8.360 nan 0.000 0.399 64 L N 5.837 127.091 121.223 0.051 0.000 2.313 64 L HA 0.102 4.442 4.340 -0.000 0.000 0.282 64 L C 0.860 177.741 176.870 0.018 0.000 1.092 64 L CA 0.509 55.363 54.840 0.023 0.000 0.831 64 L CB 0.863 42.945 42.059 0.038 0.000 1.159 64 L HN 0.756 nan 8.230 nan 0.000 0.442 65 L N 2.328 123.547 121.223 -0.006 0.000 2.408 65 L HA 0.309 4.649 4.340 -0.000 0.000 0.215 65 L C 1.109 177.974 176.870 -0.009 0.000 1.081 65 L CA 0.198 55.032 54.840 -0.011 0.000 0.840 65 L CB -0.082 41.958 42.059 -0.031 0.000 1.002 65 L HN 0.732 nan 8.230 nan 0.000 0.468 66 G N -1.169 107.624 108.800 -0.012 0.000 2.498 66 G HA2 0.388 4.348 3.960 -0.000 0.000 0.312 66 G HA3 0.388 4.348 3.960 -0.000 0.000 0.312 66 G C -1.414 173.504 174.900 0.030 0.000 1.230 66 G CA -0.495 44.605 45.100 0.001 0.000 0.968 66 G HN -0.198 nan 8.290 nan 0.000 0.481 67 D N -0.098 120.333 120.400 0.052 0.000 2.382 67 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 67 D C 0.151 176.511 176.300 0.100 0.000 1.120 67 D CA 0.706 54.760 54.000 0.090 0.000 0.890 67 D CB 1.630 42.487 40.800 0.094 0.000 1.201 67 D HN 0.159 nan 8.370 nan 0.000 0.433 68 I N 0.913 121.572 120.570 0.148 0.000 2.499 68 I HA 0.168 4.338 4.170 -0.000 0.000 0.288 68 I C -0.282 175.971 176.117 0.226 0.000 1.048 68 I CA -0.590 60.798 61.300 0.146 0.000 1.062 68 I CB 1.876 39.908 38.000 0.054 0.000 1.238 68 I HN 0.011 nan 8.210 nan 0.000 0.426 69 S N 6.578 122.388 115.700 0.184 0.000 2.454 69 S HA 0.772 5.242 4.470 -0.000 0.000 0.306 69 S C -0.657 173.968 174.600 0.041 0.000 1.100 69 S CA -0.546 57.761 58.200 0.178 0.000 1.087 69 S CB 1.504 64.850 63.200 0.244 0.000 1.019 69 S HN 0.295 nan 8.310 nan 0.000 0.480 70 L N 2.698 123.967 121.223 0.076 0.000 2.385 70 L HA 0.610 4.950 4.340 -0.000 0.000 0.273 70 L C -0.829 176.047 176.870 0.009 0.000 0.990 70 L CA -0.604 54.231 54.840 -0.007 0.000 0.821 70 L CB 1.914 44.032 42.059 0.098 0.000 1.279 70 L HN 0.377 nan 8.230 nan 0.000 0.412 71 V N 3.870 123.707 119.914 -0.127 0.000 2.266 71 V HA 0.372 4.492 4.120 -0.000 0.000 0.266 71 V C -2.103 173.962 176.094 -0.047 0.000 1.036 71 V CA -1.227 61.027 62.300 -0.076 0.000 0.828 71 V CB 0.751 32.516 31.823 -0.097 0.000 1.081 71 V HN 0.554 nan 8.190 nan 0.000 0.449 72 P HA 0.361 nan 4.420 nan 0.000 0.277 72 P C 0.487 177.780 177.300 -0.012 0.000 1.271 72 P CA -0.265 62.840 63.100 0.009 0.000 0.795 72 P CB 1.118 32.855 31.700 0.062 0.000 1.101 73 L N -2.173 119.029 121.223 -0.036 0.000 3.678 73 L HA -0.275 4.065 4.340 -0.000 0.000 0.425 73 L C 1.350 178.172 176.870 -0.080 0.000 1.240 73 L CA 0.470 55.277 54.840 -0.055 0.000 0.876 73 L CB -2.128 39.912 42.059 -0.033 0.000 1.766 73 L HN 0.456 nan 8.230 nan 0.000 0.917 74 A N -0.529 122.236 122.820 -0.091 0.000 2.209 74 A HA 0.000 4.320 4.320 -0.000 0.000 0.212 74 A C 1.141 178.637 177.584 -0.147 0.000 1.158 74 A CA 1.522 53.503 52.037 -0.094 0.000 0.742 74 A CB -0.168 18.794 19.000 -0.064 0.000 0.790 74 A HN 0.599 nan 8.150 nan 0.000 0.472 75 N N -0.923 117.660 118.700 -0.194 0.000 2.716 75 N HA 0.192 4.931 4.740 -0.000 0.000 0.245 75 N C -2.344 173.000 175.510 -0.277 0.000 1.495 75 N CA -1.694 51.170 53.050 -0.310 0.000 0.759 75 N CB 1.109 39.326 38.487 -0.451 0.000 1.261 75 N HN -0.081 nan 8.380 nan 0.000 0.515 76 P HA -0.168 nan 4.420 nan 0.000 0.216 76 P C 1.600 178.803 177.300 -0.162 0.000 1.150 76 P CA 0.495 63.503 63.100 -0.153 0.000 0.837 76 P CB 0.641 32.273 31.700 -0.114 0.000 0.786 77 L N 0.407 121.500 121.223 -0.217 0.000 2.042 77 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 77 L C 2.494 179.283 176.870 -0.134 0.000 1.076 77 L CA 2.431 57.172 54.840 -0.166 0.000 0.749 77 L CB -1.675 40.262 42.059 -0.203 0.000 0.893 77 L HN -0.030 nan 8.230 nan 0.000 0.432 78 G N -0.727 107.905 108.800 -0.280 0.000 2.394 78 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.215 78 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.215 78 G C 1.648 176.505 174.900 -0.071 0.000 1.165 78 G CA 0.849 45.899 45.100 -0.083 0.000 0.784 78 G HN 0.451 nan 8.290 nan 0.000 0.535 79 I N 1.193 121.689 120.570 -0.123 0.000 2.264 79 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 79 I C 1.735 177.801 176.117 -0.085 0.000 1.111 79 I CA 0.844 62.081 61.300 -0.103 0.000 1.382 79 I CB -0.070 37.867 38.000 -0.105 0.000 1.060 79 I HN 0.066 nan 8.210 nan 0.000 0.418 80 N N 0.563 119.220 118.700 -0.072 0.000 2.336 80 N HA -0.027 4.713 4.740 -0.000 0.000 0.189 80 N C 0.448 175.937 175.510 -0.034 0.000 1.113 80 N CA 0.196 53.215 53.050 -0.051 0.000 0.858 80 N CB 0.016 38.477 38.487 -0.044 0.000 0.970 80 N HN 0.300 nan 8.380 nan 0.000 0.471 81 Q N 1.566 121.347 119.800 -0.032 0.000 2.349 81 Q HA 0.172 4.512 4.340 -0.000 0.000 0.254 81 Q C -0.821 175.158 176.000 -0.035 0.000 0.980 81 Q CA -0.122 55.676 55.803 -0.008 0.000 0.924 81 Q CB 0.417 29.174 28.738 0.031 0.000 1.209 81 Q HN -0.201 nan 8.270 nan 0.000 0.445 82 K N 1.940 122.333 120.400 -0.012 0.000 2.156 82 K HA 0.531 4.851 4.320 -0.000 0.000 0.254 82 K C -1.041 175.585 176.600 0.044 0.000 0.950 82 K CA -0.527 55.758 56.287 -0.002 0.000 0.849 82 K CB 2.042 34.543 32.500 0.002 0.000 1.100 82 K HN 0.511 nan 8.250 nan 0.000 0.434 83 S N 0.885 116.639 115.700 0.090 0.000 2.775 83 S HA 0.533 5.003 4.470 -0.000 0.000 0.277 83 S C 0.091 174.774 174.600 0.137 0.000 1.156 83 S CA 0.414 58.685 58.200 0.119 0.000 1.081 83 S CB 0.229 63.521 63.200 0.153 0.000 1.054 83 S HN 0.927 nan 8.310 nan 0.000 0.482 84 G N 4.619 113.473 108.800 0.091 0.000 2.564 84 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.273 84 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.273 84 G C -0.216 174.738 174.900 0.090 0.000 1.242 84 G CA 0.409 45.557 45.100 0.080 0.000 0.951 84 G HN 0.755 nan 8.290 nan 0.000 0.564 85 E N -0.052 120.206 120.200 0.097 0.000 2.338 85 E HA 0.516 4.865 4.350 -0.000 0.000 0.231 85 E C -0.389 176.306 176.600 0.159 0.000 1.231 85 E CA -0.079 56.374 56.400 0.089 0.000 1.490 85 E CB 0.232 29.968 29.700 0.059 0.000 1.360 85 E HN 0.432 nan 8.360 nan 0.000 0.435 86 F N -0.209 119.727 119.950 -0.023 0.000 2.608 86 F HA 0.277 4.803 4.527 -0.000 0.000 0.309 86 F C -0.734 175.048 175.800 -0.029 0.000 1.103 86 F CA -0.820 57.160 58.000 -0.033 0.000 0.954 86 F CB 1.737 40.713 39.000 -0.040 0.000 1.267 86 F HN -0.287 nan 8.300 nan 0.000 0.444 87 T N 6.537 120.682 114.554 -0.682 0.000 2.737 87 T HA 0.248 4.598 4.350 -0.000 0.000 0.296 87 T C -0.262 173.938 174.700 -0.833 0.000 0.922 87 T CA -0.132 61.624 62.100 -0.573 0.000 1.079 87 T CB 0.516 69.115 68.868 -0.450 0.000 0.892 87 T HN 0.508 nan 8.240 nan 0.000 0.514 88 L N 4.640 125.668 121.223 -0.324 0.000 2.399 88 L HA 0.496 4.836 4.340 -0.000 0.000 0.257 88 L C 1.051 177.790 176.870 -0.219 0.000 1.236 88 L CA 0.299 55.022 54.840 -0.195 0.000 1.144 88 L CB -0.447 41.603 42.059 -0.016 0.000 1.379 88 L HN 0.811 nan 8.230 nan 0.000 0.414 89 G N 1.894 110.548 108.800 -0.244 0.000 3.377 89 G HA2 0.043 4.003 3.960 -0.000 0.000 0.257 89 G HA3 0.043 4.003 3.960 -0.000 0.000 0.257 89 G C 1.255 176.268 174.900 0.187 0.000 1.038 89 G CA -0.232 44.859 45.100 -0.016 0.000 0.809 89 G HN 0.531 nan 8.290 nan 0.000 0.526 90 R N -0.287 120.160 120.500 -0.088 0.000 2.189 90 R HA 0.297 4.637 4.340 -0.000 0.000 0.203 90 R C 0.060 176.359 176.300 -0.003 0.000 1.012 90 R CA 0.496 56.601 56.100 0.009 0.000 1.015 90 R CB 0.092 30.298 30.300 -0.156 0.000 0.938 90 R HN 0.305 nan 8.270 nan 0.000 0.472 91 F N -2.018 117.794 119.950 -0.230 0.000 2.643 91 F HA 0.385 4.912 4.527 -0.000 0.000 0.314 91 F C -1.037 174.211 175.800 -0.920 0.000 1.096 91 F CA -2.233 55.332 58.000 -0.726 0.000 0.953 91 F CB 0.226 39.025 39.000 -0.335 0.000 1.345 91 F HN -0.303 nan 8.300 nan 0.000 0.468 92 D N 3.077 122.860 120.400 -1.029 0.000 2.451 92 D HA 0.137 4.777 4.640 -0.000 0.000 0.254 92 D C -1.619 174.689 176.300 0.015 0.000 1.204 92 D CA -1.770 51.846 54.000 -0.640 0.000 0.896 92 D CB 1.317 41.804 40.800 -0.522 0.000 1.136 92 D HN 0.295 nan 8.370 nan 0.000 0.499 93 P HA -0.053 nan 4.420 nan 0.000 0.226 93 P C 1.641 179.029 177.300 0.147 0.000 1.153 93 P CA 0.666 63.890 63.100 0.207 0.000 0.777 93 P CB 0.355 32.148 31.700 0.156 0.000 0.794 94 I N -0.127 120.501 120.570 0.097 0.000 2.277 94 I HA -0.125 4.045 4.170 -0.000 0.000 0.243 94 I C 2.237 178.369 176.117 0.025 0.000 1.094 94 I CA 2.147 63.484 61.300 0.063 0.000 1.393 94 I CB -0.857 37.182 38.000 0.064 0.000 1.078 94 I HN 0.086 nan 8.210 nan 0.000 0.417 95 T N -3.204 111.346 114.554 -0.007 0.000 2.990 95 T HA 0.331 4.681 4.350 -0.000 0.000 0.250 95 T C 1.528 176.158 174.700 -0.116 0.000 1.041 95 T CA 0.526 62.595 62.100 -0.051 0.000 1.010 95 T CB 0.919 69.757 68.868 -0.050 0.000 1.003 95 T HN 0.473 nan 8.240 nan 0.000 0.499 96 G N 1.034 109.746 108.800 -0.147 0.000 2.176 96 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.253 96 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.253 96 G C 0.035 174.728 174.900 -0.346 0.000 0.979 96 G CA -0.067 44.789 45.100 -0.407 0.000 0.641 96 G HN 0.717 nan 8.290 nan 0.000 0.530 97 V N 1.988 121.777 119.914 -0.208 0.000 2.470 97 V HA 0.281 4.400 4.120 -0.000 0.000 0.276 97 V C 1.007 176.992 176.094 -0.182 0.000 1.040 97 V CA -0.717 61.484 62.300 -0.164 0.000 1.008 97 V CB 1.304 33.057 31.823 -0.116 0.000 0.990 97 V HN 0.474 nan 8.190 nan 0.000 0.477 98 N N 4.210 122.884 118.700 -0.044 0.000 2.411 98 N HA -0.048 4.691 4.740 -0.000 0.000 0.261 98 N C 0.754 176.326 175.510 0.104 0.000 1.248 98 N CA 0.384 53.479 53.050 0.075 0.000 0.885 98 N CB 0.463 39.048 38.487 0.163 0.000 1.062 98 N HN 0.667 nan 8.380 nan 0.000 0.471 99 W N 2.421 123.869 121.300 0.247 0.000 2.374 99 W HA -0.073 4.587 4.660 -0.000 0.000 0.288 99 W C 1.633 178.195 176.519 0.073 0.000 1.218 99 W CA 0.092 57.507 57.345 0.118 0.000 1.245 99 W CB -0.159 29.348 29.460 0.078 0.000 1.126 99 W HN 0.556 nan 8.180 nan 0.000 0.545 100 N N 0.430 119.347 118.700 0.362 0.000 2.362 100 N HA -0.003 4.737 4.740 -0.000 0.000 0.211 100 N C 0.916 176.593 175.510 0.277 0.000 1.170 100 N CA 0.377 53.622 53.050 0.325 0.000 0.828 100 N CB -0.074 38.523 38.487 0.183 0.000 1.034 100 N HN -0.143 nan 8.380 nan 0.000 0.475 101 R N -0.309 120.323 120.500 0.220 0.000 2.543 101 R HA 0.231 4.571 4.340 -0.000 0.000 0.323 101 R C 0.046 176.444 176.300 0.163 0.000 1.002 101 R CA -0.005 56.184 56.100 0.147 0.000 1.106 101 R CB 0.488 30.843 30.300 0.091 0.000 1.280 101 R HN 0.269 nan 8.270 nan 0.000 0.549 102 E N 0.131 120.429 120.200 0.163 0.000 2.476 102 E HA 0.104 4.453 4.350 -0.000 0.000 0.196 102 E C -0.280 176.426 176.600 0.177 0.000 1.029 102 E CA -0.149 56.347 56.400 0.161 0.000 0.896 102 E CB 0.259 30.035 29.700 0.127 0.000 1.012 102 E HN 0.173 nan 8.360 nan 0.000 0.475 103 Y N 0.185 120.634 120.300 0.249 0.000 2.281 103 Y HA 0.123 4.673 4.550 -0.000 0.000 0.337 103 Y C 0.597 176.720 175.900 0.370 0.000 1.304 103 Y CA -0.638 57.605 58.100 0.238 0.000 1.465 103 Y CB 0.462 39.020 38.460 0.164 0.000 1.350 103 Y HN -0.056 nan 8.280 nan 0.000 0.575 104 L N 2.433 123.855 121.223 0.332 0.000 2.264 104 L HA 0.278 4.618 4.340 -0.000 0.000 0.289 104 L C -0.803 175.840 176.870 -0.378 0.000 1.044 104 L CA -0.484 54.378 54.840 0.037 0.000 0.807 104 L CB 0.354 42.353 42.059 -0.100 0.000 1.192 104 L HN 0.494 nan 8.230 nan 0.000 0.425 105 D N 3.740 123.681 120.400 -0.764 0.000 2.336 105 D HA 0.085 4.725 4.640 -0.000 0.000 0.249 105 D C -0.330 175.591 176.300 -0.631 0.000 1.213 105 D CA -0.040 53.222 54.000 -1.229 0.000 0.870 105 D CB 0.296 40.251 40.800 -1.409 0.000 1.076 105 D HN 0.431 nan 8.370 nan 0.000 0.483 106 H N 3.113 121.972 119.070 -0.351 0.000 3.026 106 H HA 0.129 4.685 4.556 -0.000 0.000 0.289 106 H C 1.413 176.515 175.328 -0.377 0.000 1.022 106 H CA 0.335 56.212 56.048 -0.286 0.000 1.477 106 H CB 1.200 30.763 29.762 -0.332 0.000 1.510 106 H HN 0.631 nan 8.280 nan 0.000 0.535 107 G N 4.868 113.610 108.800 -0.097 0.000 2.403 107 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 107 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 107 G C 0.645 175.504 174.900 -0.069 0.000 1.154 107 G CA -0.203 44.845 45.100 -0.087 0.000 0.784 107 G HN 0.604 nan 8.290 nan 0.000 0.538 108 F N 0.784 120.744 119.950 0.018 0.000 2.650 108 F HA 0.159 4.686 4.527 -0.000 0.000 0.355 108 F C 0.301 176.139 175.800 0.063 0.000 1.163 108 F CA -1.418 56.606 58.000 0.041 0.000 1.374 108 F CB 0.236 39.263 39.000 0.044 0.000 1.065 108 F HN -0.049 nan 8.300 nan 0.000 0.616 109 N N 3.392 122.284 118.700 0.321 0.000 2.405 109 N HA 0.099 4.839 4.740 -0.000 0.000 0.260 109 N C 0.784 176.512 175.510 0.363 0.000 1.152 109 N CA -0.058 53.127 53.050 0.224 0.000 0.948 109 N CB 0.496 39.100 38.487 0.195 0.000 1.111 109 N HN 0.840 nan 8.380 nan 0.000 0.485 110 I N 2.305 123.003 120.570 0.214 0.000 2.439 110 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 110 I C 2.050 178.394 176.117 0.378 0.000 1.139 110 I CA 0.593 62.082 61.300 0.315 0.000 1.438 110 I CB 0.013 38.062 38.000 0.083 0.000 1.085 110 I HN 0.536 nan 8.210 nan 0.000 0.427 111 E N 1.169 121.530 120.200 0.269 0.000 2.058 111 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 111 E C 2.132 178.912 176.600 0.301 0.000 0.997 111 E CA 1.755 58.323 56.400 0.281 0.000 0.801 111 E CB -0.266 29.559 29.700 0.208 0.000 0.746 111 E HN 0.246 nan 8.360 nan 0.000 0.450 112 V N -0.335 119.743 119.914 0.274 0.000 2.358 112 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 112 V C 2.032 178.292 176.094 0.277 0.000 1.047 112 V CA 1.857 64.291 62.300 0.225 0.000 1.035 112 V CB -0.741 31.198 31.823 0.193 0.000 0.658 112 V HN 0.491 nan 8.190 nan 0.000 0.452 113 W N -0.071 121.382 121.300 0.254 0.000 2.335 113 W HA -0.292 4.368 4.660 -0.000 0.000 0.311 113 W C 2.562 179.275 176.519 0.322 0.000 1.213 113 W CA 2.063 59.584 57.345 0.294 0.000 1.274 113 W CB -0.426 29.246 29.460 0.354 0.000 1.148 113 W HN 0.383 nan 8.180 nan 0.000 0.498 114 Y N 1.306 121.931 120.300 0.542 0.000 2.097 114 Y HA -0.342 4.208 4.550 -0.000 0.000 0.282 114 Y C 2.537 178.485 175.900 0.080 0.000 1.152 114 Y CA 2.583 60.891 58.100 0.347 0.000 1.136 114 Y CB -0.921 37.687 38.460 0.246 0.000 0.975 114 Y HN -0.043 nan 8.280 nan 0.000 0.498 115 Q N 0.633 120.384 119.800 -0.082 0.000 2.096 115 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 115 Q C 1.983 177.833 176.000 -0.250 0.000 0.982 115 Q CA 2.072 57.743 55.803 -0.220 0.000 0.850 115 Q CB -0.471 28.222 28.738 -0.076 0.000 0.901 115 Q HN 0.707 nan 8.270 nan 0.000 0.422 116 E N -0.571 119.496 120.200 -0.222 0.000 2.418 116 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 116 E C 0.614 176.839 176.600 -0.625 0.000 1.026 116 E CA 0.616 56.801 56.400 -0.359 0.000 0.862 116 E CB 0.018 29.491 29.700 -0.379 0.000 0.799 116 E HN 0.529 nan 8.360 nan 0.000 0.518 117 H N -1.817 116.903 119.070 -0.582 0.000 3.233 117 H HA 0.089 4.645 4.556 -0.000 0.000 0.263 117 H C 1.738 176.633 175.328 -0.721 0.000 1.168 117 H CA 0.412 56.022 56.048 -0.730 0.000 1.159 117 H CB 0.672 29.829 29.762 -1.008 0.000 1.593 117 H HN 0.046 nan 8.280 nan 0.000 0.580 118 S N 0.528 115.878 115.700 -0.584 0.000 2.500 118 S HA -0.206 4.264 4.470 -0.000 0.000 0.239 118 S C 1.692 176.126 174.600 -0.277 0.000 0.989 118 S CA 1.166 59.005 58.200 -0.602 0.000 0.951 118 S CB -0.510 62.221 63.200 -0.781 0.000 0.759 118 S HN 0.718 nan 8.310 nan 0.000 0.523 119 H N 0.603 119.559 119.070 -0.191 0.000 2.548 119 H HA 0.354 4.910 4.556 -0.000 0.000 0.268 119 H C 0.601 175.891 175.328 -0.063 0.000 0.975 119 H CA -0.240 55.742 56.048 -0.110 0.000 1.195 119 H CB -0.456 29.232 29.762 -0.122 0.000 1.397 119 H HN 0.378 nan 8.280 nan 0.000 0.572 120 L N 2.849 123.769 121.223 -0.505 0.000 2.418 120 L HA 0.100 4.439 4.340 -0.000 0.000 0.265 120 L C 0.421 177.249 176.870 -0.069 0.000 1.143 120 L CA -0.822 53.868 54.840 -0.249 0.000 0.809 120 L CB 0.829 42.734 42.059 -0.257 0.000 1.124 120 L HN 0.220 nan 8.230 nan 0.000 0.456 121 D N -0.469 119.928 120.400 -0.005 0.000 2.360 121 D HA -0.009 4.630 4.640 -0.000 0.000 0.242 121 D C 0.428 176.763 176.300 0.058 0.000 1.184 121 D CA -0.443 53.576 54.000 0.031 0.000 0.930 121 D CB 0.602 41.424 40.800 0.036 0.000 1.161 121 D HN 0.387 nan 8.370 nan 0.000 0.447 122 D N 0.004 120.448 120.400 0.073 0.000 2.126 122 D HA -0.186 4.454 4.640 -0.000 0.000 0.190 122 D C 1.296 177.661 176.300 0.109 0.000 1.001 122 D CA 1.431 55.489 54.000 0.098 0.000 0.841 122 D CB -0.192 40.657 40.800 0.081 0.000 0.949 122 D HN 0.490 nan 8.370 nan 0.000 0.446 123 D N -0.355 120.096 120.400 0.085 0.000 2.144 123 D HA -0.075 4.564 4.640 -0.000 0.000 0.200 123 D C 2.003 178.370 176.300 0.111 0.000 0.978 123 D CA 1.088 55.142 54.000 0.090 0.000 0.833 123 D CB -0.407 40.431 40.800 0.063 0.000 0.961 123 D HN 0.214 nan 8.370 nan 0.000 0.470 124 T N 1.485 116.096 114.554 0.096 0.000 2.777 124 T HA -0.070 4.279 4.350 -0.000 0.000 0.266 124 T C 2.113 176.900 174.700 0.145 0.000 1.040 124 T CA 0.304 62.463 62.100 0.099 0.000 1.141 124 T CB -0.244 68.660 68.868 0.059 0.000 0.868 124 T HN 0.107 nan 8.240 nan 0.000 0.444 125 L N 0.530 121.845 121.223 0.153 0.000 2.046 125 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 125 L C 2.253 179.342 176.870 0.364 0.000 1.077 125 L CA 1.423 56.410 54.840 0.246 0.000 0.747 125 L CB -0.310 41.878 42.059 0.214 0.000 0.896 125 L HN 0.229 nan 8.230 nan 0.000 0.432 126 I N -0.600 120.156 120.570 0.310 0.000 2.226 126 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 126 I C 2.358 178.724 176.117 0.414 0.000 1.100 126 I CA 1.760 63.307 61.300 0.413 0.000 1.374 126 I CB -0.566 37.616 38.000 0.304 0.000 1.057 126 I HN 0.276 nan 8.210 nan 0.000 0.413 127 T N 0.662 115.382 114.554 0.275 0.000 2.746 127 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 127 T C 2.033 176.866 174.700 0.222 0.000 1.039 127 T CA 1.466 63.697 62.100 0.219 0.000 1.142 127 T CB -0.284 68.674 68.868 0.149 0.000 0.866 127 T HN 0.484 nan 8.240 nan 0.000 0.444 128 A N 0.795 123.774 122.820 0.264 0.000 1.898 128 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 128 A C 2.001 179.774 177.584 0.316 0.000 1.181 128 A CA 1.163 53.375 52.037 0.292 0.000 0.620 128 A CB -0.932 18.269 19.000 0.334 0.000 0.819 128 A HN 0.456 nan 8.150 nan 0.000 0.442 129 F N 0.581 120.581 119.950 0.082 0.000 2.134 129 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 129 F C 2.376 177.920 175.800 -0.428 0.000 1.097 129 F CA 1.947 59.603 58.000 -0.573 0.000 1.264 129 F CB -0.264 38.173 39.000 -0.939 0.000 1.001 129 F HN 0.232 nan 8.300 nan 0.000 0.479 130 R N 0.297 120.812 120.500 0.026 0.000 2.083 130 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 130 R C 2.354 178.599 176.300 -0.092 0.000 1.137 130 R CA 1.486 57.639 56.100 0.089 0.000 0.951 130 R CB -0.698 29.810 30.300 0.347 0.000 0.851 130 R HN 0.321 nan 8.270 nan 0.000 0.434 131 A N -0.056 122.746 122.820 -0.030 0.000 1.908 131 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 131 A C 2.194 179.690 177.584 -0.147 0.000 1.181 131 A CA 2.090 54.101 52.037 -0.042 0.000 0.627 131 A CB -0.949 18.068 19.000 0.028 0.000 0.818 131 A HN 0.491 nan 8.150 nan 0.000 0.445 132 T N 0.575 114.972 114.554 -0.262 0.000 2.708 132 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 132 T C 1.806 176.181 174.700 -0.542 0.000 1.037 132 T CA 1.528 63.384 62.100 -0.406 0.000 1.146 132 T CB -0.419 68.104 68.868 -0.576 0.000 0.865 132 T HN 0.408 nan 8.240 nan 0.000 0.435 133 L N 0.698 121.474 121.223 -0.746 0.000 2.046 133 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 133 L C 2.670 179.334 176.870 -0.343 0.000 1.077 133 L CA 0.939 55.262 54.840 -0.862 0.000 0.747 133 L CB -0.894 40.412 42.059 -1.255 0.000 0.896 133 L HN 0.138 nan 8.230 nan 0.000 0.432 134 V N -0.032 119.772 119.914 -0.182 0.000 2.343 134 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 134 V C 2.558 178.654 176.094 0.002 0.000 1.051 134 V CA 1.970 64.270 62.300 -0.000 0.000 1.036 134 V CB -0.445 31.390 31.823 0.020 0.000 0.654 134 V HN 0.437 nan 8.190 nan 0.000 0.451 135 E N 0.369 120.537 120.200 -0.054 0.000 2.106 135 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 135 E C 2.155 178.753 176.600 -0.004 0.000 0.984 135 E CA 1.181 57.563 56.400 -0.031 0.000 0.806 135 E CB -0.237 29.431 29.700 -0.053 0.000 0.750 135 E HN 0.511 nan 8.360 nan 0.000 0.458 136 E N -0.188 120.002 120.200 -0.016 0.000 2.153 136 E HA -0.157 4.192 4.350 -0.000 0.000 0.194 136 E C 2.242 178.937 176.600 0.158 0.000 0.988 136 E CA 1.079 57.535 56.400 0.092 0.000 0.811 136 E CB -0.540 29.271 29.700 0.184 0.000 0.746 136 E HN 0.375 nan 8.360 nan 0.000 0.466 137 C N 0.738 120.144 119.300 0.177 0.000 2.453 137 C HA -0.048 4.412 4.460 -0.000 0.000 0.277 137 C C 2.884 177.918 174.990 0.073 0.000 1.262 137 C CA 0.773 59.874 59.018 0.138 0.000 1.718 137 C CB -1.042 26.793 27.740 0.158 0.000 2.031 137 C HN 0.487 nan 8.230 nan 0.000 0.480 138 A N 0.512 123.368 122.820 0.060 0.000 1.908 138 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 138 A C 2.255 179.866 177.584 0.046 0.000 1.181 138 A CA 1.951 54.013 52.037 0.042 0.000 0.627 138 A CB -0.672 18.348 19.000 0.032 0.000 0.818 138 A HN 0.656 nan 8.150 nan 0.000 0.445 139 R N -0.920 119.611 120.500 0.052 0.000 2.096 139 R HA -0.177 4.162 4.340 -0.000 0.000 0.235 139 R C 2.356 178.700 176.300 0.073 0.000 1.127 139 R CA 1.750 57.884 56.100 0.057 0.000 0.968 139 R CB -0.194 30.140 30.300 0.056 0.000 0.861 139 R HN 0.401 nan 8.270 nan 0.000 0.440 140 R N 0.546 121.096 120.500 0.084 0.000 2.081 140 R HA -0.026 4.313 4.340 -0.000 0.000 0.235 140 R C 1.998 178.356 176.300 0.098 0.000 1.131 140 R CA 1.458 57.621 56.100 0.104 0.000 0.960 140 R CB -0.385 29.980 30.300 0.108 0.000 0.856 140 R HN 0.293 nan 8.270 nan 0.000 0.436 141 L N 0.166 121.426 121.223 0.062 0.000 2.395 141 L HA 0.027 4.366 4.340 -0.000 0.000 0.218 141 L C 1.363 178.268 176.870 0.058 0.000 1.130 141 L CA 0.641 55.512 54.840 0.052 0.000 0.826 141 L CB -0.324 41.748 42.059 0.022 0.000 0.941 141 L HN 0.230 nan 8.230 nan 0.000 0.451 142 N N 0.449 119.184 118.700 0.059 0.000 2.383 142 N HA -0.082 4.658 4.740 -0.000 0.000 0.192 142 N C 0.504 176.054 175.510 0.066 0.000 1.141 142 N CA -0.043 53.038 53.050 0.052 0.000 0.851 142 N CB -0.166 38.347 38.487 0.043 0.000 0.976 142 N HN 0.130 nan 8.380 nan 0.000 0.465 143 N N 1.120 119.876 118.700 0.093 0.000 2.468 143 N HA 0.046 4.786 4.740 -0.000 0.000 0.265 143 N C -1.609 173.969 175.510 0.113 0.000 1.199 143 N CA -1.494 51.634 53.050 0.129 0.000 0.928 143 N CB 1.056 39.644 38.487 0.168 0.000 1.059 143 N HN 0.107 nan 8.380 nan 0.000 0.467 144 P HA -0.043 nan 4.420 nan 0.000 0.226 144 P C 0.577 177.802 177.300 -0.125 0.000 1.153 144 P CA 1.021 64.086 63.100 -0.059 0.000 0.777 144 P CB -0.037 31.572 31.700 -0.152 0.000 0.794 145 W N 0.851 122.164 121.300 0.023 0.000 3.047 145 W HA 0.317 4.977 4.660 -0.000 0.000 0.250 145 W C 1.350 177.886 176.519 0.028 0.000 1.314 145 W CA 1.295 58.654 57.345 0.022 0.000 1.540 145 W CB -0.442 29.029 29.460 0.019 0.000 1.127 145 W HN 0.072 nan 8.180 nan 0.000 0.679 146 G N 0.434 109.359 108.800 0.209 0.000 2.782 146 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.228 146 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.228 146 G C -0.611 174.389 174.900 0.166 0.000 1.372 146 G CA -0.467 44.723 45.100 0.150 0.000 0.862 146 G HN 0.701 nan 8.290 nan 0.000 0.547 147 V N -3.558 116.445 119.914 0.148 0.000 3.160 147 V HA 0.965 5.085 4.120 -0.000 0.000 0.310 147 V C 0.847 177.031 176.094 0.150 0.000 1.181 147 V CA 0.318 62.721 62.300 0.172 0.000 1.047 147 V CB 1.356 33.346 31.823 0.277 0.000 1.068 147 V HN 2.430 nan 8.190 nan 0.000 0.441 148 T N -1.423 113.221 114.554 0.150 0.000 2.802 148 T HA 0.164 4.514 4.350 -0.000 0.000 0.305 148 T C 1.172 175.975 174.700 0.173 0.000 1.053 148 T CA 0.827 63.012 62.100 0.141 0.000 1.058 148 T CB 0.517 69.455 68.868 0.117 0.000 0.988 148 T HN 0.933 nan 8.240 nan 0.000 0.539 149 T N 1.781 116.442 114.554 0.178 0.000 2.684 149 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 149 T C 2.252 177.099 174.700 0.245 0.000 1.036 149 T CA 1.721 63.939 62.100 0.197 0.000 1.148 149 T CB -1.021 67.990 68.868 0.238 0.000 0.863 149 T HN 0.870 nan 8.240 nan 0.000 0.436 150 G N -0.207 108.824 108.800 0.386 0.000 2.421 150 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.217 150 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.217 150 G C 1.339 176.371 174.900 0.220 0.000 1.143 150 G CA 0.683 46.056 45.100 0.455 0.000 0.784 150 G HN 0.519 nan 8.290 nan 0.000 0.541 151 H N 0.539 119.657 119.070 0.081 0.000 2.357 151 H HA 0.062 4.617 4.556 -0.000 0.000 0.301 151 H C 2.550 177.873 175.328 -0.008 0.000 1.082 151 H CA 1.635 57.691 56.048 0.014 0.000 1.342 151 H CB -0.097 29.685 29.762 0.032 0.000 1.389 151 H HN 0.295 nan 8.280 nan 0.000 0.511 152 R N -0.289 120.232 120.500 0.036 0.000 2.083 152 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 152 R C 2.206 178.456 176.300 -0.084 0.000 1.137 152 R CA 1.695 57.773 56.100 -0.037 0.000 0.951 152 R CB -0.454 29.855 30.300 0.016 0.000 0.851 152 R HN 0.383 nan 8.270 nan 0.000 0.434 153 L N 0.607 121.785 121.223 -0.075 0.000 1.994 153 L HA -0.089 4.250 4.340 -0.000 0.000 0.208 153 L C 2.310 179.079 176.870 -0.168 0.000 1.071 153 L CA 2.364 57.132 54.840 -0.120 0.000 0.745 153 L CB -0.819 41.142 42.059 -0.162 0.000 0.892 153 L HN 0.258 nan 8.230 nan 0.000 0.431 154 A N -1.155 121.500 122.820 -0.274 0.000 1.902 154 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 154 A C 2.246 179.640 177.584 -0.316 0.000 1.181 154 A CA 1.973 53.666 52.037 -0.574 0.000 0.623 154 A CB -1.121 17.308 19.000 -0.951 0.000 0.818 154 A HN 0.341 nan 8.150 nan 0.000 0.443 155 V N -0.325 119.416 119.914 -0.289 0.000 2.427 155 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 155 V C 2.699 178.746 176.094 -0.078 0.000 1.051 155 V CA 2.331 64.517 62.300 -0.191 0.000 1.048 155 V CB -1.137 30.489 31.823 -0.329 0.000 0.666 155 V HN 0.601 nan 8.190 nan 0.000 0.456 156 T N 0.590 115.097 114.554 -0.079 0.000 2.746 156 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 156 T C 1.880 176.575 174.700 -0.008 0.000 1.039 156 T CA 1.540 63.622 62.100 -0.031 0.000 1.142 156 T CB -0.274 68.576 68.868 -0.031 0.000 0.866 156 T HN 0.309 nan 8.240 nan 0.000 0.444 157 L N 0.687 121.917 121.223 0.013 0.000 2.046 157 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 157 L C 2.913 179.756 176.870 -0.044 0.000 1.077 157 L CA 1.371 56.251 54.840 0.067 0.000 0.747 157 L CB -0.566 41.611 42.059 0.197 0.000 0.896 157 L HN 0.298 nan 8.230 nan 0.000 0.432 158 Q N -0.238 119.580 119.800 0.029 0.000 2.084 158 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 158 Q C 1.546 177.422 176.000 -0.206 0.000 0.978 158 Q CA 1.055 56.795 55.803 -0.104 0.000 0.844 158 Q CB 0.111 28.874 28.738 0.041 0.000 0.898 158 Q HN 0.391 nan 8.270 nan 0.000 0.426 162 H N 1.187 120.237 119.070 -0.034 0.000 2.489 162 H HA 0.004 4.560 4.556 -0.000 0.000 0.295 162 H C 1.923 177.318 175.328 0.112 0.000 1.082 162 H CA 1.581 57.697 56.048 0.112 0.000 1.295 162 H CB -0.027 29.808 29.762 0.123 0.000 1.380 162 H HN 0.529 nan 8.280 nan 0.000 0.548 163 R N 0.174 120.767 120.500 0.155 0.000 2.189 163 R HA 0.166 4.506 4.340 -0.000 0.000 0.218 163 R C 1.040 177.404 176.300 0.106 0.000 1.074 163 R CA 0.435 56.610 56.100 0.125 0.000 0.991 163 R CB 0.356 30.709 30.300 0.089 0.000 0.883 163 R HN 0.076 nan 8.270 nan 0.000 0.457 164 A N 0.816 123.695 122.820 0.097 0.000 2.264 164 A HA 0.157 4.477 4.320 -0.000 0.000 0.304 164 A C 0.068 177.671 177.584 0.032 0.000 1.100 164 A CA -0.619 51.473 52.037 0.092 0.000 0.839 164 A CB 0.647 19.745 19.000 0.162 0.000 1.121 164 A HN -0.002 nan 8.150 nan 0.000 0.496 165 D N -0.221 120.183 120.400 0.006 0.000 2.271 165 D HA 0.135 4.774 4.640 -0.000 0.000 0.206 165 D C -0.047 176.247 176.300 -0.010 0.000 0.967 165 D CA 1.384 55.344 54.000 -0.066 0.000 0.867 165 D CB 0.205 40.965 40.800 -0.067 0.000 0.960 165 D HN 0.467 nan 8.370 nan 0.000 0.509 166 I N 0.896 121.509 120.570 0.071 0.000 2.534 166 I HA 0.188 4.358 4.170 -0.000 0.000 0.288 166 I C -0.991 175.237 176.117 0.186 0.000 1.077 166 I CA -0.729 60.656 61.300 0.142 0.000 1.051 166 I CB 3.081 41.185 38.000 0.175 0.000 1.234 166 I HN -0.415 nan 8.210 nan 0.000 0.425 167 V N 7.169 127.201 119.914 0.197 0.000 2.409 167 V HA 0.485 4.605 4.120 -0.000 0.000 0.291 167 V C -0.263 175.933 176.094 0.169 0.000 1.020 167 V CA -0.482 61.955 62.300 0.229 0.000 0.848 167 V CB 1.912 33.859 31.823 0.208 0.000 0.990 167 V HN 0.458 nan 8.190 nan 0.000 0.430 168 L N 4.055 125.364 121.223 0.143 0.000 2.319 168 L HA 0.572 4.912 4.340 -0.000 0.000 0.281 168 L C -0.850 176.046 176.870 0.042 0.000 1.005 168 L CA -0.429 54.448 54.840 0.061 0.000 0.828 168 L CB 1.862 43.954 42.059 0.056 0.000 1.227 168 L HN 0.524 nan 8.230 nan 0.000 0.415 169 D N 4.483 124.910 120.400 0.046 0.000 2.373 169 D HA 0.390 5.030 4.640 -0.000 0.000 0.227 169 D C -0.681 175.674 176.300 0.093 0.000 1.091 169 D CA -0.168 53.878 54.000 0.076 0.000 0.840 169 D CB 1.165 42.044 40.800 0.132 0.000 1.060 169 D HN 0.299 nan 8.370 nan 0.000 0.502 170 L N 4.959 126.176 121.223 -0.010 0.000 2.257 170 L HA 0.396 4.735 4.340 -0.000 0.000 0.290 170 L C 0.647 177.455 176.870 -0.103 0.000 1.044 170 L CA -0.527 54.301 54.840 -0.021 0.000 0.810 170 L CB 0.867 42.895 42.059 -0.052 0.000 1.193 170 L HN 0.370 nan 8.230 nan 0.000 0.425 171 H N 1.162 120.218 119.070 -0.023 0.000 2.927 171 H HA 0.646 5.202 4.556 -0.000 0.000 0.316 171 H C -0.469 174.865 175.328 0.010 0.000 1.403 171 H CA -0.552 55.510 56.048 0.023 0.000 1.288 171 H CB 2.568 32.368 29.762 0.063 0.000 1.944 171 H HN 0.568 nan 8.280 nan 0.000 0.629 172 T N -1.690 112.986 114.554 0.203 0.000 2.883 172 T HA 0.553 4.903 4.350 -0.000 0.000 0.296 172 T C 0.276 175.070 174.700 0.158 0.000 1.117 172 T CA -0.639 61.532 62.100 0.119 0.000 1.006 172 T CB 1.853 70.763 68.868 0.070 0.000 1.191 172 T HN 0.670 nan 8.240 nan 0.000 0.508 173 G N 0.719 109.612 108.800 0.154 0.000 2.525 173 G HA2 0.618 4.577 3.960 -0.000 0.000 0.287 173 G HA3 0.618 4.577 3.960 -0.000 0.000 0.287 173 G C -1.906 173.048 174.900 0.088 0.000 1.350 173 G CA -1.508 43.703 45.100 0.184 0.000 1.039 173 G HN 0.616 nan 8.290 nan 0.000 0.513 174 P HA 0.102 nan 4.420 nan 0.000 0.196 174 P C -0.084 177.151 177.300 -0.109 0.000 1.151 174 P CA 0.675 63.767 63.100 -0.013 0.000 0.857 174 P CB 0.317 32.009 31.700 -0.014 0.000 0.703 175 K N 0.473 120.711 120.400 -0.270 0.000 2.268 175 K HA 0.528 4.848 4.320 -0.000 0.000 0.276 175 K C -0.063 176.316 176.600 -0.368 0.000 1.080 175 K CA 0.044 56.068 56.287 -0.440 0.000 0.910 175 K CB 0.685 32.609 32.500 -0.959 0.000 1.163 175 K HN 0.096 nan 8.250 nan 0.000 0.465 176 S N 1.397 116.999 115.700 -0.164 0.000 2.556 176 S HA 0.418 4.888 4.470 -0.000 0.000 0.271 176 S C -0.163 174.451 174.600 0.024 0.000 1.135 176 S CA -0.773 57.401 58.200 -0.044 0.000 0.858 176 S CB 0.600 63.847 63.200 0.079 0.000 1.114 176 S HN 0.718 nan 8.310 nan 0.000 0.468 177 C N 2.486 121.823 119.300 0.062 0.000 2.396 177 C HA 0.665 5.125 4.460 -0.000 0.000 0.359 177 C C 0.129 175.252 174.990 0.221 0.000 1.307 177 C CA -0.876 58.210 59.018 0.113 0.000 2.392 177 C CB -0.607 27.198 27.740 0.109 0.000 2.245 177 C HN 0.885 nan 8.230 nan 0.000 0.615 178 K N 2.345 122.854 120.400 0.182 0.000 2.322 178 K HA 0.389 4.708 4.320 -0.000 0.000 0.283 178 K C 0.106 176.844 176.600 0.229 0.000 1.042 178 K CA 0.337 56.713 56.287 0.149 0.000 0.958 178 K CB 0.263 32.807 32.500 0.073 0.000 0.984 178 K HN 0.954 nan 8.250 nan 0.000 0.473 179 H N 1.059 120.129 119.070 0.001 0.000 2.977 179 H HA 0.597 5.152 4.556 -0.000 0.000 0.350 179 H C -1.746 173.506 175.328 -0.127 0.000 1.238 179 H CA -1.237 54.775 56.048 -0.061 0.000 1.124 179 H CB 1.192 30.886 29.762 -0.113 0.000 1.866 179 H HN 0.370 nan 8.280 nan 0.000 0.550 180 L N 0.972 122.084 121.223 -0.186 0.000 2.431 180 L HA 0.466 4.806 4.340 -0.000 0.000 0.266 180 L C -1.946 174.747 176.870 -0.294 0.000 0.978 180 L CA -0.586 54.107 54.840 -0.244 0.000 0.822 180 L CB 1.898 43.809 42.059 -0.247 0.000 1.310 180 L HN 0.586 nan 8.230 nan 0.000 0.409 181 Y N 3.550 123.750 120.300 -0.166 0.000 2.360 181 Y HA 0.647 5.197 4.550 -0.000 0.000 0.337 181 Y C -0.058 175.765 175.900 -0.128 0.000 1.039 181 Y CA -0.105 57.930 58.100 -0.108 0.000 1.109 181 Y CB 1.904 40.331 38.460 -0.054 0.000 1.201 181 Y HN 0.725 nan 8.280 nan 0.000 0.458 182 C N 7.046 126.351 119.300 0.007 0.000 2.551 182 C HA 0.560 5.019 4.460 -0.000 0.000 0.332 182 C C -2.651 172.233 174.990 -0.177 0.000 1.139 182 C CA -2.219 56.725 59.018 -0.124 0.000 1.328 182 C CB 1.135 28.773 27.740 -0.170 0.000 1.903 182 C HN 0.588 nan 8.230 nan 0.000 0.459 183 P HA 0.180 nan 4.420 nan 0.000 0.272 183 P C 0.393 177.406 177.300 -0.477 0.000 1.230 183 P CA 0.501 63.276 63.100 -0.542 0.000 0.788 183 P CB 0.705 31.600 31.700 -1.342 0.000 0.949 184 E N 0.843 120.990 120.200 -0.088 0.000 2.160 184 E HA -0.227 4.122 4.350 -0.000 0.000 0.195 184 E C 1.674 178.201 176.600 -0.122 0.000 0.991 184 E CA 1.493 57.925 56.400 0.054 0.000 0.810 184 E CB -0.650 29.302 29.700 0.419 0.000 0.742 184 E HN 0.643 nan 8.360 nan 0.000 0.466 185 Y N 0.341 120.374 120.300 -0.444 0.000 2.497 185 Y HA 0.063 4.613 4.550 -0.000 0.000 0.292 185 Y C 1.186 176.915 175.900 -0.285 0.000 1.137 185 Y CA 0.694 58.529 58.100 -0.443 0.000 1.285 185 Y CB 0.029 37.960 38.460 -0.882 0.000 0.991 185 Y HN -0.151 nan 8.280 nan 0.000 0.556 186 E N 1.082 120.831 120.200 -0.752 0.000 3.858 186 E HA 0.141 4.491 4.350 -0.000 0.000 0.208 186 E C 1.341 177.799 176.600 -0.236 0.000 1.041 186 E CA -0.283 55.869 56.400 -0.413 0.000 1.368 186 E CB 0.132 29.553 29.700 -0.465 0.000 1.176 186 E HN 0.468 nan 8.360 nan 0.000 0.448 187 R N 0.311 120.711 120.500 -0.166 0.000 2.154 187 R HA -0.179 4.161 4.340 -0.000 0.000 0.248 187 R C 1.962 178.237 176.300 -0.040 0.000 1.155 187 R CA 2.341 58.383 56.100 -0.096 0.000 0.979 187 R CB -0.140 30.134 30.300 -0.044 0.000 0.869 187 R HN 0.243 nan 8.270 nan 0.000 0.452 188 S N -0.186 115.519 115.700 0.009 0.000 2.442 188 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 188 S C 2.100 176.793 174.600 0.155 0.000 1.007 188 S CA 0.856 59.097 58.200 0.068 0.000 0.965 188 S CB -0.226 63.054 63.200 0.134 0.000 0.773 188 S HN 0.491 nan 8.310 nan 0.000 0.504 189 A N 2.064 124.988 122.820 0.173 0.000 1.978 189 A HA 0.197 4.517 4.320 -0.000 0.000 0.220 189 A C 2.536 180.271 177.584 0.252 0.000 1.170 189 A CA 1.734 53.940 52.037 0.282 0.000 0.636 189 A CB -1.474 17.584 19.000 0.095 0.000 0.810 189 A HN 0.952 nan 8.150 nan 0.000 0.448 190 A N -1.170 121.707 122.820 0.096 0.000 2.024 190 A HA -0.183 4.136 4.320 -0.000 0.000 0.220 190 A C 2.004 179.554 177.584 -0.057 0.000 1.164 190 A CA 1.592 53.657 52.037 0.047 0.000 0.643 190 A CB -0.406 18.553 19.000 -0.069 0.000 0.806 190 A HN 0.501 nan 8.150 nan 0.000 0.451 191 Q N -1.361 118.309 119.800 -0.217 0.000 2.291 191 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 191 Q C 1.409 176.996 176.000 -0.688 0.000 0.976 191 Q CA 1.503 56.995 55.803 -0.518 0.000 0.875 191 Q CB -0.364 27.907 28.738 -0.779 0.000 0.927 191 Q HN 0.920 nan 8.270 nan 0.000 0.450 192 Y N -1.665 118.537 120.300 -0.162 0.000 2.479 192 Y HA 0.088 4.638 4.550 -0.000 0.000 0.283 192 Y C 0.799 176.531 175.900 -0.279 0.000 1.109 192 Y CA -0.453 57.500 58.100 -0.245 0.000 1.239 192 Y CB -0.022 38.278 38.460 -0.266 0.000 1.108 192 Y HN -0.094 nan 8.280 nan 0.000 0.548 193 F N 0.127 120.105 119.950 0.048 0.000 2.435 193 F HA 0.162 4.689 4.527 -0.000 0.000 0.316 193 F C 1.131 176.898 175.800 -0.055 0.000 1.220 193 F CA -0.049 57.945 58.000 -0.011 0.000 1.241 193 F CB 0.409 39.369 39.000 -0.065 0.000 1.234 193 F HN -0.369 nan 8.300 nan 0.000 0.569 194 S N 1.857 117.650 115.700 0.155 0.000 2.979 194 S HA 0.443 4.913 4.470 -0.000 0.000 0.210 194 S C -0.305 174.314 174.600 0.032 0.000 1.364 194 S CA -0.208 58.022 58.200 0.051 0.000 1.208 194 S CB -0.915 62.309 63.200 0.041 0.000 1.167 194 S HN 0.279 nan 8.310 nan 0.000 0.519 195 I N 2.820 123.399 120.570 0.015 0.000 2.439 195 I HA 0.291 4.460 4.170 -0.000 0.000 0.285 195 I C -1.739 174.325 176.117 -0.089 0.000 1.021 195 I CA -2.255 59.035 61.300 -0.018 0.000 1.091 195 I CB 2.621 40.602 38.000 -0.032 0.000 1.242 195 I HN 0.049 nan 8.210 nan 0.000 0.439 196 P HA -0.060 nan 4.420 nan 0.000 0.225 196 P C -0.465 176.463 177.300 -0.620 0.000 1.156 196 P CA 1.159 64.048 63.100 -0.352 0.000 0.787 196 P CB 0.192 31.675 31.700 -0.362 0.000 0.802 197 Y N -0.945 119.344 120.300 -0.017 0.000 2.373 197 Y HA 0.436 4.986 4.550 -0.000 0.000 0.336 197 Y C 0.238 176.046 175.900 -0.153 0.000 0.979 197 Y CA -0.561 57.494 58.100 -0.075 0.000 1.080 197 Y CB 1.854 40.261 38.460 -0.089 0.000 1.190 197 Y HN -0.368 nan 8.280 nan 0.000 0.446 198 T N 4.842 119.333 114.554 -0.106 0.000 2.841 198 T HA 0.589 4.939 4.350 -0.000 0.000 0.283 198 T C -0.699 173.815 174.700 -0.310 0.000 1.000 198 T CA -0.688 61.283 62.100 -0.215 0.000 0.977 198 T CB 0.888 69.635 68.868 -0.203 0.000 0.979 198 T HN 0.358 nan 8.240 nan 0.000 0.446 199 L N 3.558 124.536 121.223 -0.409 0.000 2.272 199 L HA 0.516 4.855 4.340 -0.000 0.000 0.289 199 L C -0.486 176.252 176.870 -0.221 0.000 1.032 199 L CA -0.718 53.879 54.840 -0.406 0.000 0.810 199 L CB 0.889 42.538 42.059 -0.684 0.000 1.205 199 L HN 0.386 nan 8.230 nan 0.000 0.422 200 L N 5.679 126.790 121.223 -0.187 0.000 2.264 200 L HA 0.534 4.874 4.340 -0.000 0.000 0.289 200 L C -0.067 176.867 176.870 0.106 0.000 1.044 200 L CA -0.406 54.364 54.840 -0.117 0.000 0.807 200 L CB 1.094 42.939 42.059 -0.358 0.000 1.192 200 L HN 0.555 nan 8.230 nan 0.000 0.425 201 I N 2.091 122.770 120.570 0.182 0.000 2.603 201 I HA 0.721 4.890 4.170 -0.000 0.000 0.300 201 I C -2.575 173.783 176.117 0.401 0.000 1.017 201 I CA -2.333 59.152 61.300 0.309 0.000 1.098 201 I CB 2.372 40.591 38.000 0.366 0.000 1.279 201 I HN 0.283 nan 8.210 nan 0.000 0.437 202 P HA 0.144 nan 4.420 nan 0.000 0.282 202 P C -0.947 176.526 177.300 0.289 0.000 1.287 202 P CA -0.517 62.781 63.100 0.330 0.000 0.792 202 P CB 0.582 32.399 31.700 0.195 0.000 1.163 203 N N -0.068 118.476 118.700 -0.261 0.000 2.895 203 N HA 0.190 4.930 4.740 -0.000 0.000 0.277 203 N C -1.072 174.414 175.510 -0.040 0.000 1.185 203 N CA 0.206 53.009 53.050 -0.412 0.000 1.106 203 N CB -1.145 36.523 38.487 -1.364 0.000 1.422 203 N HN 0.258 nan 8.380 nan 0.000 0.521 204 S N 2.971 118.779 115.700 0.181 0.000 2.572 204 S HA 0.388 4.858 4.470 -0.000 0.000 0.274 204 S C -1.391 173.307 174.600 0.163 0.000 1.150 204 S CA -0.798 57.486 58.200 0.139 0.000 0.944 204 S CB 0.102 63.368 63.200 0.111 0.000 1.071 204 S HN 0.297 nan 8.310 nan 0.000 0.479 205 F N 4.142 124.101 119.950 0.016 0.000 2.420 205 F HA 0.646 5.172 4.527 -0.000 0.000 0.352 205 F C 0.963 176.767 175.800 0.007 0.000 1.108 205 F CA 0.184 58.175 58.000 -0.015 0.000 1.162 205 F CB 1.125 40.110 39.000 -0.025 0.000 1.118 205 F HN 0.697 nan 8.300 nan 0.000 0.510 206 G N 2.435 110.824 108.800 -0.685 0.000 3.839 206 G HA2 0.402 4.361 3.960 -0.000 0.000 0.286 206 G HA3 0.402 4.361 3.960 -0.000 0.000 0.286 206 G C 0.778 175.339 174.900 -0.564 0.000 1.005 206 G CA 0.051 44.888 45.100 -0.438 0.000 0.824 206 G HN 1.501 nan 8.290 nan 0.000 0.489 207 G N -1.009 107.055 108.800 -1.226 0.000 2.194 207 G HA2 0.143 4.103 3.960 -0.000 0.000 0.236 207 G HA3 0.143 4.103 3.960 -0.000 0.000 0.236 207 G C 0.666 175.462 174.900 -0.173 0.000 0.987 207 G CA 0.422 45.212 45.100 -0.518 0.000 0.635 207 G HN 1.411 nan 8.290 nan 0.000 0.520 211 E N 1.490 121.295 120.200 -0.657 0.000 2.077 211 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 211 E C 2.180 178.542 176.600 -0.396 0.000 0.989 211 E CA 1.729 57.551 56.400 -0.964 0.000 0.800 211 E CB -0.169 29.207 29.700 -0.540 0.000 0.746 211 E HN 0.432 nan 8.360 nan 0.000 0.452 212 A N 1.289 124.040 122.820 -0.116 0.000 1.940 212 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 212 A C 2.333 180.032 177.584 0.192 0.000 1.176 212 A CA 1.855 54.012 52.037 0.200 0.000 0.631 212 A CB -0.596 18.496 19.000 0.154 0.000 0.814 212 A HN 0.305 nan 8.150 nan 0.000 0.446 213 A N -0.612 122.248 122.820 0.067 0.000 1.903 213 A HA 0.220 4.540 4.320 -0.000 0.000 0.213 213 A C 1.889 179.783 177.584 0.517 0.000 1.185 213 A CA 1.395 53.594 52.037 0.271 0.000 0.628 213 A CB -0.572 18.516 19.000 0.146 0.000 0.830 213 A HN 0.966 nan 8.150 nan 0.000 0.446 214 F N -0.992 119.222 119.950 0.439 0.000 2.530 214 F HA 0.178 4.704 4.527 -0.000 0.000 0.292 214 F C 1.688 177.829 175.800 0.568 0.000 1.109 214 F CA 0.446 58.764 58.000 0.529 0.000 1.450 214 F CB -1.015 38.300 39.000 0.525 0.000 1.114 214 F HN -0.066 nan 8.300 nan 0.000 0.560 215 V N 2.150 122.365 119.914 0.503 0.000 2.332 215 V HA -0.191 3.928 4.120 -0.000 0.000 0.248 215 V C -0.170 176.136 176.094 0.354 0.000 1.055 215 V CA 2.364 64.955 62.300 0.484 0.000 1.038 215 V CB -1.917 30.060 31.823 0.255 0.000 0.651 215 V HN 0.228 nan 8.190 nan 0.000 0.450 216 P HA -0.137 nan 4.420 nan 0.000 0.217 216 P C 1.199 178.573 177.300 0.124 0.000 1.150 216 P CA 1.572 64.733 63.100 0.101 0.000 0.832 216 P CB -0.109 31.538 31.700 -0.087 0.000 0.787 217 W N -2.267 119.220 121.300 0.312 0.000 2.453 217 W HA -0.013 4.647 4.660 -0.000 0.000 0.289 217 W C 2.307 178.884 176.519 0.096 0.000 1.215 217 W CA -0.031 57.401 57.345 0.145 0.000 1.297 217 W CB -1.100 28.461 29.460 0.169 0.000 1.113 217 W HN 0.003 nan 8.180 nan 0.000 0.551 218 W N 1.252 122.667 121.300 0.192 0.000 2.381 218 W HA -0.134 4.525 4.660 -0.000 0.000 0.301 218 W C 1.983 178.502 176.519 0.001 0.000 1.205 218 W CA 2.205 59.549 57.345 -0.002 0.000 1.285 218 W CB -1.037 28.468 29.460 0.076 0.000 1.133 218 W HN -0.260 nan 8.180 nan 0.000 0.521 219 T N 1.628 116.304 114.554 0.204 0.000 2.746 219 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 219 T C 1.779 176.463 174.700 -0.027 0.000 1.039 219 T CA 1.631 63.745 62.100 0.024 0.000 1.142 219 T CB -0.792 68.070 68.868 -0.011 0.000 0.866 219 T HN 0.081 nan 8.240 nan 0.000 0.444 220 L N 1.607 122.766 121.223 -0.106 0.000 2.042 220 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 220 L C 2.611 179.395 176.870 -0.143 0.000 1.076 220 L CA 1.966 56.650 54.840 -0.259 0.000 0.749 220 L CB -1.086 40.536 42.059 -0.727 0.000 0.893 220 L HN 0.226 nan 8.230 nan 0.000 0.432 221 A N -0.822 121.978 122.820 -0.033 0.000 1.908 221 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 221 A C 2.183 179.759 177.584 -0.014 0.000 1.181 221 A CA 1.945 53.981 52.037 -0.002 0.000 0.627 221 A CB -0.660 18.365 19.000 0.041 0.000 0.818 221 A HN 0.636 nan 8.150 nan 0.000 0.445 222 E N -0.487 119.727 120.200 0.022 0.000 2.106 222 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 222 E C 2.023 178.577 176.600 -0.077 0.000 0.984 222 E CA 1.154 57.551 56.400 -0.004 0.000 0.806 222 E CB -0.233 29.472 29.700 0.008 0.000 0.750 222 E HN 0.420 nan 8.360 nan 0.000 0.458 223 V N 1.530 121.385 119.914 -0.099 0.000 2.307 223 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 223 V C 2.386 178.326 176.094 -0.257 0.000 1.045 223 V CA 1.868 64.097 62.300 -0.118 0.000 1.024 223 V CB -0.748 31.048 31.823 -0.045 0.000 0.651 223 V HN 0.297 nan 8.190 nan 0.000 0.449 224 A N -0.585 121.969 122.820 -0.443 0.000 1.883 224 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 224 A C 2.571 180.030 177.584 -0.208 0.000 1.186 224 A CA 2.481 54.163 52.037 -0.592 0.000 0.624 224 A CB -0.958 17.842 19.000 -0.333 0.000 0.822 224 A HN 0.485 nan 8.150 nan 0.000 0.444 225 S N 0.066 115.692 115.700 -0.123 0.000 2.399 225 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 225 S C 2.237 176.783 174.600 -0.090 0.000 1.022 225 S CA 1.967 60.131 58.200 -0.061 0.000 0.983 225 S CB -0.573 62.609 63.200 -0.030 0.000 0.803 225 S HN 0.912 nan 8.310 nan 0.000 0.480 226 S N -0.232 115.365 115.700 -0.171 0.000 2.442 226 S HA -0.092 4.378 4.470 -0.000 0.000 0.236 226 S C 0.970 175.330 174.600 -0.399 0.000 1.007 226 S CA 1.064 59.097 58.200 -0.278 0.000 0.965 226 S CB -0.704 62.279 63.200 -0.362 0.000 0.773 226 S HN 0.796 nan 8.310 nan 0.000 0.504 227 H N 0.493 119.541 119.070 -0.036 0.000 2.487 227 H HA 0.488 5.044 4.556 -0.000 0.000 0.290 227 H C 1.447 176.810 175.328 0.059 0.000 1.081 227 H CA 0.028 56.101 56.048 0.041 0.000 1.116 227 H CB 0.198 30.039 29.762 0.132 0.000 1.560 227 H HN 0.487 nan 8.280 nan 0.000 0.548 228 G N 1.332 110.177 108.800 0.076 0.000 2.148 228 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.254 228 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.254 228 G C 0.383 175.334 174.900 0.085 0.000 0.981 228 G CA 0.109 45.252 45.100 0.073 0.000 0.670 228 G HN 0.494 nan 8.290 nan 0.000 0.528 229 R N 0.683 121.239 120.500 0.094 0.000 2.288 229 R HA 0.444 4.783 4.340 -0.000 0.000 0.326 229 R C -0.535 175.798 176.300 0.055 0.000 0.959 229 R CA -0.704 55.458 56.100 0.102 0.000 0.834 229 R CB 0.520 30.936 30.300 0.193 0.000 1.157 229 R HN 0.063 nan 8.270 nan 0.000 0.470 230 E N 5.928 126.157 120.200 0.050 0.000 1.856 230 E HA -0.027 4.323 4.350 -0.000 0.000 0.263 230 E C 0.523 177.147 176.600 0.041 0.000 1.137 230 E CA -0.074 56.346 56.400 0.034 0.000 1.007 230 E CB 0.958 30.676 29.700 0.030 0.000 1.117 230 E HN 0.553 nan 8.360 nan 0.000 0.438 231 L N 1.879 123.127 121.223 0.042 0.000 2.068 231 L HA 0.092 4.432 4.340 -0.000 0.000 0.204 231 L C 0.865 177.756 176.870 0.035 0.000 1.076 231 L CA 1.969 56.843 54.840 0.057 0.000 0.753 231 L CB -0.334 41.769 42.059 0.072 0.000 0.910 231 L HN 0.628 nan 8.230 nan 0.000 0.439 232 G N -1.378 107.431 108.800 0.016 0.000 2.690 232 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.686 232 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.686 232 G C -0.712 174.172 174.900 -0.027 0.000 1.277 232 G CA -0.574 44.521 45.100 -0.010 0.000 0.799 232 G HN 0.254 nan 8.290 nan 0.000 0.613 233 V N 2.585 122.431 119.914 -0.112 0.000 2.439 233 V HA 0.308 4.428 4.120 -0.000 0.000 0.271 233 V C 1.360 177.370 176.094 -0.140 0.000 1.040 233 V CA -0.075 62.105 62.300 -0.201 0.000 1.002 233 V CB 1.239 32.642 31.823 -0.699 0.000 1.000 233 V HN 0.703 nan 8.190 nan 0.000 0.477 234 R N 3.111 123.542 120.500 -0.116 0.000 2.359 234 R HA 0.218 4.557 4.340 -0.000 0.000 0.231 234 R C -0.043 175.984 176.300 -0.455 0.000 0.913 234 R CA 0.252 56.194 56.100 -0.264 0.000 1.075 234 R CB 0.443 30.574 30.300 -0.281 0.000 1.087 234 R HN 0.686 nan 8.270 nan 0.000 0.515 235 V N -3.182 116.521 119.914 -0.351 0.000 3.007 235 V HA 0.693 4.813 4.120 -0.000 0.000 0.311 235 V C -0.379 175.765 176.094 0.083 0.000 1.120 235 V CA -0.865 61.289 62.300 -0.244 0.000 0.980 235 V CB 2.689 34.277 31.823 -0.392 0.000 1.033 235 V HN -0.072 nan 8.190 nan 0.000 0.429 236 S N 1.883 117.661 115.700 0.130 0.000 2.482 236 S HA 0.934 5.404 4.470 -0.000 0.000 0.303 236 S C -0.218 174.511 174.600 0.216 0.000 1.091 236 S CA -0.055 58.269 58.200 0.207 0.000 1.057 236 S CB 1.466 64.797 63.200 0.219 0.000 1.031 236 S HN 1.724 nan 8.310 nan 0.000 0.485 237 A N 3.493 126.457 122.820 0.239 0.000 2.442 237 A HA 0.759 5.079 4.320 -0.000 0.000 0.284 237 A C -1.293 176.402 177.584 0.186 0.000 1.058 237 A CA -0.548 51.642 52.037 0.254 0.000 0.738 237 A CB 0.549 19.767 19.000 0.365 0.000 1.242 237 A HN 0.720 nan 8.150 nan 0.000 0.421 238 L N 1.083 122.348 121.223 0.069 0.000 2.371 238 L HA 0.754 5.094 4.340 -0.000 0.000 0.262 238 L C -0.301 176.541 176.870 -0.046 0.000 1.006 238 L CA -0.675 54.143 54.840 -0.036 0.000 0.818 238 L CB 2.817 44.758 42.059 -0.197 0.000 1.354 238 L HN 0.588 nan 8.230 nan 0.000 0.415 239 T N 2.671 117.201 114.554 -0.040 0.000 2.815 239 T HA 0.594 4.944 4.350 -0.000 0.000 0.289 239 T C -0.659 174.004 174.700 -0.061 0.000 1.000 239 T CA -0.433 61.655 62.100 -0.021 0.000 0.958 239 T CB 1.159 69.990 68.868 -0.062 0.000 0.944 239 T HN 0.092 nan 8.240 nan 0.000 0.442 240 L N 3.815 124.974 121.223 -0.107 0.000 2.272 240 L HA 0.385 4.725 4.340 -0.000 0.000 0.289 240 L C 0.534 177.347 176.870 -0.096 0.000 1.032 240 L CA -0.233 54.501 54.840 -0.177 0.000 0.810 240 L CB 0.854 42.774 42.059 -0.232 0.000 1.205 240 L HN 0.514 nan 8.230 nan 0.000 0.422 241 E N 5.470 125.538 120.200 -0.219 0.000 2.028 241 E HA 0.249 4.599 4.350 -0.000 0.000 0.266 241 E C -0.517 175.980 176.600 -0.172 0.000 0.962 241 E CA -0.170 56.072 56.400 -0.262 0.000 0.784 241 E CB 1.124 30.338 29.700 -0.810 0.000 1.114 241 E HN 0.495 nan 8.360 nan 0.000 0.414 242 L N 2.611 123.805 121.223 -0.048 0.000 2.536 242 L HA 0.266 4.605 4.340 -0.000 0.000 0.242 242 L C 1.077 177.958 176.870 0.019 0.000 1.280 242 L CA -0.268 54.565 54.840 -0.013 0.000 1.221 242 L CB -0.497 41.557 42.059 -0.009 0.000 1.449 242 L HN 0.706 nan 8.230 nan 0.000 0.405 243 G N 0.892 109.719 108.800 0.045 0.000 2.512 243 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.240 243 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.240 243 G C -0.233 174.693 174.900 0.044 0.000 1.246 243 G CA -0.370 44.761 45.100 0.051 0.000 0.919 243 G HN 0.380 nan 8.290 nan 0.000 0.577 244 S N 0.999 116.708 115.700 0.014 0.000 2.646 244 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 244 S C 0.672 175.274 174.600 0.003 0.000 1.222 244 S CA 0.229 58.426 58.200 -0.005 0.000 1.014 244 S CB 1.445 64.620 63.200 -0.041 0.000 0.991 244 S HN 0.891 nan 8.310 nan 0.000 0.533 245 Q N 0.874 120.677 119.800 0.005 0.000 2.316 245 Q HA 0.316 4.656 4.340 -0.000 0.000 0.215 245 Q C -0.787 175.207 176.000 -0.010 0.000 1.020 245 Q CA -0.523 55.283 55.803 0.005 0.000 0.970 245 Q CB 0.170 28.920 28.738 0.020 0.000 1.187 245 Q HN 0.514 nan 8.270 nan 0.000 0.546 246 E N -0.253 119.928 120.200 -0.032 0.000 2.360 246 E HA -0.242 4.108 4.350 -0.000 0.000 0.238 246 E C -0.853 175.732 176.600 -0.025 0.000 1.186 246 E CA 1.538 57.916 56.400 -0.038 0.000 0.719 246 E CB -1.550 28.145 29.700 -0.008 0.000 1.236 246 E HN 0.780 nan 8.360 nan 0.000 0.386 247 R N -1.012 119.472 120.500 -0.026 0.000 2.629 247 R HA 0.629 4.969 4.340 -0.000 0.000 0.266 247 R C -0.925 175.360 176.300 -0.025 0.000 1.051 247 R CA -0.958 55.128 56.100 -0.022 0.000 0.895 247 R CB 1.283 31.574 30.300 -0.015 0.000 1.246 247 R HN -0.062 nan 8.270 nan 0.000 0.459 248 I N 2.284 122.837 120.570 -0.028 0.000 2.436 248 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 248 I C -0.988 175.115 176.117 -0.025 0.000 1.010 248 I CA -0.385 60.895 61.300 -0.033 0.000 1.098 248 I CB 1.704 39.674 38.000 -0.050 0.000 1.266 248 I HN 0.749 nan 8.210 nan 0.000 0.434 249 D N 7.119 127.509 120.400 -0.016 0.000 2.358 249 D HA 0.270 4.910 4.640 -0.000 0.000 0.253 249 D C 0.711 177.011 176.300 0.002 0.000 1.288 249 D CA -0.359 53.637 54.000 -0.007 0.000 0.950 249 D CB 1.240 42.041 40.800 0.001 0.000 1.197 249 D HN 0.365 nan 8.370 nan 0.000 0.550 250 L N 1.991 123.213 121.223 -0.003 0.000 2.083 250 L HA -0.132 4.207 4.340 -0.000 0.000 0.209 250 L C 1.564 178.458 176.870 0.038 0.000 1.083 250 L CA 0.983 55.833 54.840 0.017 0.000 0.752 250 L CB 0.031 42.092 42.059 0.003 0.000 0.899 250 L HN 0.334 nan 8.230 nan 0.000 0.433 251 D N -0.322 120.095 120.400 0.029 0.000 2.117 251 D HA -0.207 4.433 4.640 -0.000 0.000 0.197 251 D C 1.774 178.093 176.300 0.032 0.000 0.987 251 D CA 1.287 55.306 54.000 0.032 0.000 0.829 251 D CB -0.197 40.618 40.800 0.024 0.000 0.961 251 D HN 0.246 nan 8.370 nan 0.000 0.460 252 D N 0.219 120.635 120.400 0.026 0.000 2.144 252 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 252 D C 1.932 178.251 176.300 0.031 0.000 0.984 252 D CA 1.316 55.331 54.000 0.026 0.000 0.834 252 D CB -0.105 40.708 40.800 0.021 0.000 0.955 252 D HN 0.085 nan 8.370 nan 0.000 0.465 253 A N 0.070 122.911 122.820 0.034 0.000 1.933 253 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 253 A C 2.125 179.739 177.584 0.050 0.000 1.175 253 A CA 1.215 53.276 52.037 0.041 0.000 0.628 253 A CB -0.765 18.264 19.000 0.049 0.000 0.814 253 A HN 0.369 nan 8.150 nan 0.000 0.444 254 L N 0.220 121.476 121.223 0.054 0.000 2.046 254 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 254 L C 2.161 179.057 176.870 0.043 0.000 1.077 254 L CA 2.361 57.232 54.840 0.053 0.000 0.747 254 L CB -0.709 41.383 42.059 0.055 0.000 0.896 254 L HN 0.524 nan 8.230 nan 0.000 0.432 255 E N -0.565 119.659 120.200 0.039 0.000 2.085 255 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 255 E C 1.744 178.370 176.600 0.043 0.000 0.994 255 E CA 1.349 57.771 56.400 0.036 0.000 0.801 255 E CB -0.184 29.535 29.700 0.031 0.000 0.743 255 E HN 0.588 nan 8.360 nan 0.000 0.453 256 D N 0.563 120.990 120.400 0.046 0.000 2.117 256 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 256 D C 1.930 178.273 176.300 0.071 0.000 0.982 256 D CA 1.252 55.287 54.000 0.058 0.000 0.828 256 D CB -0.255 40.571 40.800 0.043 0.000 0.967 256 D HN 0.150 nan 8.370 nan 0.000 0.464 257 A N 1.105 123.955 122.820 0.050 0.000 1.933 257 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 257 A C 2.074 179.670 177.584 0.020 0.000 1.175 257 A CA 1.464 53.521 52.037 0.034 0.000 0.628 257 A CB -0.526 18.486 19.000 0.019 0.000 0.814 257 A HN 0.202 nan 8.150 nan 0.000 0.444 258 E N -0.685 119.530 120.200 0.025 0.000 2.077 258 E HA -0.112 4.237 4.350 -0.000 0.000 0.193 258 E C 2.132 178.734 176.600 0.004 0.000 0.989 258 E CA 0.799 57.205 56.400 0.010 0.000 0.800 258 E CB -0.358 29.356 29.700 0.023 0.000 0.746 258 E HN 0.616 nan 8.360 nan 0.000 0.452 259 G N 1.193 110.017 108.800 0.040 0.000 2.418 259 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 259 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 259 G C 1.592 176.508 174.900 0.027 0.000 1.158 259 G CA 0.547 45.679 45.100 0.054 0.000 0.771 259 G HN 0.120 nan 8.290 nan 0.000 0.545 260 I N 0.343 120.988 120.570 0.124 0.000 2.226 260 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 260 I C 2.692 178.796 176.117 -0.022 0.000 1.100 260 I CA 0.633 62.020 61.300 0.145 0.000 1.374 260 I CB -0.193 37.921 38.000 0.190 0.000 1.057 260 I HN 0.119 nan 8.210 nan 0.000 0.413 261 L N 0.448 121.622 121.223 -0.082 0.000 2.079 261 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 261 L C 2.834 179.591 176.870 -0.188 0.000 1.081 261 L CA 1.320 56.042 54.840 -0.196 0.000 0.752 261 L CB -0.627 41.265 42.059 -0.278 0.000 0.896 261 L HN 0.280 nan 8.230 nan 0.000 0.433 262 A N -0.809 121.936 122.820 -0.125 0.000 1.902 262 A HA -0.291 4.028 4.320 -0.000 0.000 0.217 262 A C 2.147 179.667 177.584 -0.106 0.000 1.181 262 A CA 1.570 53.558 52.037 -0.082 0.000 0.623 262 A CB -0.838 18.148 19.000 -0.024 0.000 0.818 262 A HN 0.467 nan 8.150 nan 0.000 0.443 263 Y N 0.542 120.636 120.300 -0.344 0.000 2.200 263 Y HA -0.114 4.436 4.550 -0.000 0.000 0.290 263 Y C 1.960 177.697 175.900 -0.272 0.000 1.137 263 Y CA 1.661 59.501 58.100 -0.433 0.000 1.163 263 Y CB -0.281 37.642 38.460 -0.895 0.000 0.988 263 Y HN 0.211 nan 8.280 nan 0.000 0.518 264 L N -1.048 120.030 121.223 -0.242 0.000 2.083 264 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 264 L C 2.790 179.476 176.870 -0.308 0.000 1.083 264 L CA 1.640 56.317 54.840 -0.271 0.000 0.752 264 L CB -0.904 41.044 42.059 -0.184 0.000 0.899 264 L HN 0.233 nan 8.230 nan 0.000 0.433 265 S N -0.642 114.899 115.700 -0.265 0.000 2.356 265 S HA -0.289 4.180 4.470 -0.000 0.000 0.223 265 S C 2.109 176.565 174.600 -0.240 0.000 1.032 265 S CA 1.670 59.740 58.200 -0.216 0.000 1.005 265 S CB -0.304 62.802 63.200 -0.156 0.000 0.867 265 S HN 0.638 nan 8.310 nan 0.000 0.449 266 H N 1.351 120.162 119.070 -0.432 0.000 2.353 266 H HA 0.055 4.611 4.556 -0.000 0.000 0.298 266 H C 1.909 176.915 175.328 -0.536 0.000 1.103 266 H CA 1.980 57.682 56.048 -0.576 0.000 1.293 266 H CB -0.111 28.982 29.762 -1.115 0.000 1.372 266 H HN 0.179 nan 8.280 nan 0.000 0.501 267 R N -0.079 119.957 120.500 -0.774 0.000 2.313 267 R HA 0.159 4.499 4.340 -0.000 0.000 0.199 267 R C 1.141 177.188 176.300 -0.422 0.000 0.958 267 R CA 0.664 56.339 56.100 -0.708 0.000 1.047 267 R CB -0.487 29.392 30.300 -0.702 0.000 0.955 267 R HN 0.634 nan 8.270 nan 0.000 0.481 268 G N 0.432 109.031 108.800 -0.336 0.000 2.147 268 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 268 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 268 G C 0.805 175.604 174.900 -0.168 0.000 1.005 268 G CA 0.406 45.376 45.100 -0.216 0.000 0.713 268 G HN 0.225 nan 8.290 nan 0.000 0.515 269 V N 0.315 120.116 119.914 -0.187 0.000 2.488 269 V HA 0.164 4.284 4.120 -0.000 0.000 0.246 269 V C 1.658 177.686 176.094 -0.110 0.000 1.046 269 V CA 1.947 64.166 62.300 -0.136 0.000 1.053 269 V CB -0.337 31.402 31.823 -0.140 0.000 0.679 269 V HN 0.766 nan 8.190 nan 0.000 0.458 270 I N -3.029 117.462 120.570 -0.131 0.000 2.603 270 I HA 0.767 4.937 4.170 -0.000 0.000 0.300 270 I C 1.038 177.119 176.117 -0.060 0.000 1.017 270 I CA -0.561 60.685 61.300 -0.090 0.000 1.098 270 I CB 1.923 39.832 38.000 -0.152 0.000 1.279 270 I HN -0.085 nan 8.210 nan 0.000 0.437 271 A N 3.312 126.130 122.820 -0.002 0.000 1.929 271 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 271 A C 0.949 178.543 177.584 0.016 0.000 1.176 271 A CA 0.797 52.835 52.037 0.001 0.000 0.628 271 A CB -0.650 18.361 19.000 0.019 0.000 0.816 271 A HN 0.860 nan 8.150 nan 0.000 0.444 272 E N 0.642 120.886 120.200 0.074 0.000 2.415 272 E HA 0.287 4.637 4.350 -0.000 0.000 0.262 272 E C -0.306 176.316 176.600 0.037 0.000 1.038 272 E CA 0.363 56.823 56.400 0.099 0.000 0.921 272 E CB 0.286 30.144 29.700 0.263 0.000 0.950 272 E HN 0.180 nan 8.360 nan 0.000 0.438 273 T N 2.035 116.611 114.554 0.036 0.000 2.729 273 T HA 0.340 4.689 4.350 -0.000 0.000 0.296 273 T C -0.606 174.109 174.700 0.025 0.000 0.928 273 T CA -0.511 61.596 62.100 0.012 0.000 1.045 273 T CB 0.228 69.104 68.868 0.013 0.000 0.902 273 T HN 0.095 nan 8.240 nan 0.000 0.500 274 V N 6.085 125.994 119.914 -0.009 0.000 2.376 274 V HA 0.376 4.495 4.120 -0.000 0.000 0.287 274 V C 0.099 176.192 176.094 -0.002 0.000 1.015 274 V CA -0.866 61.429 62.300 -0.009 0.000 0.834 274 V CB 1.214 32.990 31.823 -0.078 0.000 1.001 274 V HN 0.759 nan 8.190 nan 0.000 0.428 275 L N 6.410 127.640 121.223 0.012 0.000 2.418 275 L HA 0.459 4.799 4.340 -0.000 0.000 0.265 275 L C -1.947 174.926 176.870 0.005 0.000 1.143 275 L CA -1.629 53.222 54.840 0.018 0.000 0.809 275 L CB 0.847 42.910 42.059 0.006 0.000 1.124 275 L HN 0.407 nan 8.230 nan 0.000 0.456 276 P HA 0.049 nan 4.420 nan 0.000 0.272 276 P C -0.912 176.353 177.300 -0.059 0.000 1.223 276 P CA -0.483 62.587 63.100 -0.051 0.000 0.784 276 P CB 0.454 32.060 31.700 -0.157 0.000 0.923 277 K N 3.178 123.544 120.400 -0.056 0.000 2.416 277 K HA 0.162 4.482 4.320 -0.000 0.000 0.283 277 K C -1.752 174.804 176.600 -0.073 0.000 1.037 277 K CA -1.232 55.026 56.287 -0.049 0.000 0.995 277 K CB -0.250 32.231 32.500 -0.033 0.000 0.938 277 K HN 0.354 nan 8.250 nan 0.000 0.475 281 R N 2.080 122.188 120.500 -0.654 0.000 2.532 281 R HA 0.531 4.870 4.340 -0.000 0.000 0.297 281 R C -0.907 174.939 176.300 -0.757 0.000 0.984 281 R CA -0.770 54.989 56.100 -0.569 0.000 0.884 281 R CB 1.464 31.557 30.300 -0.346 0.000 1.182 281 R HN 0.456 nan 8.270 nan 0.000 0.442 282 Y N -0.203 119.883 120.300 -0.357 0.000 2.598 282 Y HA 0.800 5.350 4.550 -0.000 0.000 0.340 282 Y C 0.825 176.505 175.900 -0.366 0.000 1.038 282 Y CA -0.791 57.118 58.100 -0.318 0.000 1.100 282 Y CB 2.528 40.837 38.460 -0.251 0.000 1.281 282 Y HN 0.707 nan 8.280 nan 0.000 0.488 283 G N -0.768 107.769 108.800 -0.438 0.000 2.708 283 G HA2 0.593 4.553 3.960 -0.000 0.000 0.289 283 G HA3 0.593 4.553 3.960 -0.000 0.000 0.289 283 G C -1.767 172.536 174.900 -0.995 0.000 1.416 283 G CA -0.711 43.987 45.100 -0.671 0.000 0.829 283 G HN 1.109 nan 8.290 nan 0.000 0.480 284 C N -1.207 117.723 119.300 -0.617 0.000 3.170 284 C HA 0.826 5.286 4.460 -0.000 0.000 0.319 284 C C -1.093 173.817 174.990 -0.132 0.000 1.260 284 C CA -1.388 57.457 59.018 -0.287 0.000 1.374 284 C CB 0.315 27.998 27.740 -0.096 0.000 1.739 284 C HN 0.564 nan 8.230 nan 0.000 0.479 285 F N 2.355 122.431 119.950 0.211 0.000 2.443 285 F HA 0.386 4.912 4.527 -0.000 0.000 0.353 285 F C 1.412 177.294 175.800 0.137 0.000 1.101 285 F CA -0.311 57.799 58.000 0.182 0.000 1.226 285 F CB 0.949 40.070 39.000 0.202 0.000 1.140 285 F HN 0.764 nan 8.300 nan 0.000 0.557 286 L N 3.980 125.375 121.223 0.288 0.000 2.064 286 L HA -0.282 4.058 4.340 -0.000 0.000 0.216 286 L C 2.458 179.495 176.870 0.279 0.000 1.077 286 L CA 2.040 57.035 54.840 0.257 0.000 0.766 286 L CB -0.794 41.433 42.059 0.279 0.000 0.890 286 L HN 0.731 nan 8.230 nan 0.000 0.435 287 K N -1.688 118.870 120.400 0.263 0.000 2.281 287 K HA -0.151 4.169 4.320 -0.000 0.000 0.203 287 K C 1.017 177.736 176.600 0.198 0.000 1.046 287 K CA 1.639 58.050 56.287 0.206 0.000 0.938 287 K CB -0.516 32.081 32.500 0.162 0.000 0.737 287 K HN 0.390 nan 8.250 nan 0.000 0.458 288 N N 0.081 118.919 118.700 0.231 0.000 2.268 288 N HA -0.039 4.700 4.740 -0.000 0.000 0.204 288 N C -0.972 174.675 175.510 0.229 0.000 1.124 288 N CA 0.010 53.182 53.050 0.203 0.000 0.838 288 N CB 0.120 38.734 38.487 0.211 0.000 0.994 288 N HN 0.202 nan 8.380 nan 0.000 0.489 289 Y N 2.597 122.946 120.300 0.081 0.000 2.383 289 Y HA 0.292 4.842 4.550 -0.000 0.000 0.344 289 Y C -0.213 175.725 175.900 0.063 0.000 0.986 289 Y CA -0.972 57.158 58.100 0.049 0.000 1.175 289 Y CB 0.231 38.724 38.460 0.056 0.000 1.152 289 Y HN -0.198 nan 8.280 nan 0.000 0.511 290 R N 4.810 125.302 120.500 -0.014 0.000 2.664 290 R HA 0.430 4.770 4.340 -0.000 0.000 0.286 290 R C -0.783 175.426 176.300 -0.152 0.000 0.967 290 R CA -1.029 55.042 56.100 -0.048 0.000 0.933 290 R CB 1.421 31.741 30.300 0.034 0.000 1.146 290 R HN 0.642 nan 8.270 nan 0.000 0.468 291 K N 1.683 122.018 120.400 -0.107 0.000 2.213 291 K HA 0.333 4.653 4.320 -0.000 0.000 0.270 291 K C -0.804 175.675 176.600 -0.201 0.000 1.002 291 K CA -0.402 55.767 56.287 -0.197 0.000 0.868 291 K CB 1.252 33.635 32.500 -0.195 0.000 1.093 291 K HN 0.338 nan 8.250 nan 0.000 0.454 292 F N 3.648 123.406 119.950 -0.321 0.000 2.361 292 F HA 0.273 4.799 4.527 -0.000 0.000 0.364 292 F C -0.484 175.118 175.800 -0.330 0.000 1.117 292 F CA -0.549 57.324 58.000 -0.212 0.000 1.071 292 F CB 0.529 39.494 39.000 -0.059 0.000 1.188 292 F HN 0.558 nan 8.300 nan 0.000 0.464 293 H N 3.830 122.592 119.070 -0.514 0.000 2.479 293 H HA 0.601 5.157 4.556 -0.000 0.000 0.335 293 H C -0.077 174.965 175.328 -0.476 0.000 1.142 293 H CA -0.574 55.260 56.048 -0.357 0.000 1.234 293 H CB 1.381 30.988 29.762 -0.258 0.000 1.503 293 H HN 0.771 nan 8.280 nan 0.000 0.510 294 A N 4.037 126.784 122.820 -0.122 0.000 2.545 294 A HA 0.056 4.375 4.320 -0.000 0.000 0.253 294 A C -1.415 176.106 177.584 -0.105 0.000 1.074 294 A CA -0.830 51.159 52.037 -0.080 0.000 0.760 294 A CB -0.102 18.879 19.000 -0.032 0.000 1.005 294 A HN 0.676 nan 8.150 nan 0.000 0.506 295 P HA 0.047 nan 4.420 nan 0.000 0.241 295 P C 0.076 177.354 177.300 -0.037 0.000 1.191 295 P CA 0.927 63.977 63.100 -0.082 0.000 0.771 295 P CB 0.230 31.891 31.700 -0.066 0.000 0.929 296 K N -0.601 119.789 120.400 -0.017 0.000 2.562 296 K HA 0.571 4.891 4.320 -0.000 0.000 0.267 296 K C -1.288 175.317 176.600 0.009 0.000 0.938 296 K CA -0.796 55.490 56.287 -0.002 0.000 0.840 296 K CB 2.265 34.767 32.500 0.003 0.000 1.390 296 K HN -0.170 nan 8.250 nan 0.000 0.428 297 A N 1.235 124.069 122.820 0.024 0.000 2.313 297 A HA 0.804 5.124 4.320 -0.000 0.000 0.261 297 A C 0.319 177.921 177.584 0.031 0.000 1.090 297 A CA 0.680 52.745 52.037 0.046 0.000 0.807 297 A CB 0.393 19.446 19.000 0.088 0.000 1.055 297 A HN 1.029 nan 8.150 nan 0.000 0.492 301 E N 3.026 123.050 120.200 -0.293 0.000 2.129 301 E HA 0.541 4.891 4.350 -0.000 0.000 0.268 301 E C -1.621 174.817 176.600 -0.270 0.000 0.900 301 E CA -0.800 55.485 56.400 -0.192 0.000 0.755 301 E CB 1.238 30.891 29.700 -0.078 0.000 1.117 301 E HN 0.756 nan 8.360 nan 0.000 0.410 302 Y N 4.513 124.760 120.300 -0.087 0.000 2.393 302 Y HA 0.097 4.646 4.550 -0.000 0.000 0.338 302 Y C 0.940 176.824 175.900 -0.027 0.000 1.029 302 Y CA -0.069 57.955 58.100 -0.127 0.000 1.239 302 Y CB 0.773 38.930 38.460 -0.506 0.000 1.170 302 Y HN 0.583 nan 8.280 nan 0.000 0.515 303 L N 2.188 123.477 121.223 0.110 0.000 2.388 303 L HA 0.256 4.596 4.340 -0.000 0.000 0.209 303 L C 1.481 178.393 176.870 0.070 0.000 1.061 303 L CA 0.148 55.022 54.840 0.058 0.000 0.834 303 L CB -0.117 41.936 42.059 -0.010 0.000 1.029 303 L HN 0.740 nan 8.230 nan 0.000 0.473 304 G N 2.123 110.973 108.800 0.083 0.000 2.356 304 G HA2 0.132 4.092 3.960 -0.000 0.000 0.273 304 G HA3 0.132 4.092 3.960 -0.000 0.000 0.273 304 G C -0.206 174.816 174.900 0.203 0.000 1.213 304 G CA -0.260 44.857 45.100 0.028 0.000 0.955 304 G HN -0.094 nan 8.290 nan 0.000 0.454 305 K N 2.083 122.551 120.400 0.114 0.000 2.234 305 K HA 0.189 4.509 4.320 -0.000 0.000 0.282 305 K C 0.710 177.380 176.600 0.118 0.000 1.039 305 K CA -0.510 55.857 56.287 0.133 0.000 0.928 305 K CB 1.831 34.376 32.500 0.076 0.000 1.039 305 K HN 0.448 nan 8.250 nan 0.000 0.470 306 V N -0.544 119.451 119.914 0.135 0.000 2.673 306 V HA 0.321 4.440 4.120 -0.000 0.000 0.303 306 V C 1.172 177.279 176.094 0.023 0.000 1.046 306 V CA 0.544 62.888 62.300 0.073 0.000 1.126 306 V CB 0.074 31.912 31.823 0.025 0.000 0.934 306 V HN 1.002 nan 8.190 nan 0.000 0.487 307 G N 2.500 111.265 108.800 -0.059 0.000 2.159 307 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.256 307 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.256 307 G C -0.033 174.874 174.900 0.011 0.000 0.977 307 G CA -0.011 45.064 45.100 -0.041 0.000 0.652 307 G HN 1.551 nan 8.290 nan 0.000 0.531 308 V N 1.531 121.419 119.914 -0.043 0.000 2.409 308 V HA 0.486 4.605 4.120 -0.000 0.000 0.291 308 V C -1.233 174.807 176.094 -0.090 0.000 1.020 308 V CA -1.602 60.682 62.300 -0.026 0.000 0.848 308 V CB 1.712 33.532 31.823 -0.004 0.000 0.990 308 V HN 0.108 nan 8.190 nan 0.000 0.430 312 A N 1.163 123.947 122.820 -0.061 0.000 2.584 312 A HA 0.260 4.579 4.320 -0.000 0.000 0.239 312 A C 1.086 178.636 177.584 -0.057 0.000 1.043 312 A CA 2.058 54.061 52.037 -0.056 0.000 0.756 312 A CB -0.874 18.107 19.000 -0.031 0.000 0.963 312 A HN 1.565 nan 8.150 nan 0.000 0.511 313 T N -0.847 113.666 114.554 -0.069 0.000 6.424 313 T HA -0.177 4.173 4.350 -0.000 0.000 0.279 313 T C -0.070 174.581 174.700 -0.081 0.000 2.176 313 T CA 0.987 63.049 62.100 -0.063 0.000 3.628 313 T CB -2.442 66.403 68.868 -0.040 0.000 1.165 313 T HN 0.787 nan 8.240 nan 0.000 1.080 314 D N 3.990 124.329 120.400 -0.101 0.000 2.399 314 D HA 0.431 5.071 4.640 -0.000 0.000 0.241 314 D C -2.295 173.922 176.300 -0.138 0.000 1.133 314 D CA -1.237 52.700 54.000 -0.106 0.000 0.890 314 D CB 0.719 41.452 40.800 -0.111 0.000 1.201 314 D HN 0.318 nan 8.370 nan 0.000 0.432 315 P HA 0.010 nan 4.420 nan 0.000 0.267 315 P C 0.249 177.443 177.300 -0.177 0.000 1.205 315 P CA -0.240 62.785 63.100 -0.125 0.000 0.765 315 P CB 0.709 32.361 31.700 -0.081 0.000 0.828 316 L N 5.274 126.353 121.223 -0.240 0.000 2.362 316 L HA 0.193 4.533 4.340 -0.000 0.000 0.204 316 L C 0.466 177.257 176.870 -0.131 0.000 1.060 316 L CA 1.174 55.813 54.840 -0.334 0.000 0.827 316 L CB 0.210 41.887 42.059 -0.636 0.000 1.027 316 L HN 0.274 nan 8.230 nan 0.000 0.474 317 V N -3.085 116.767 119.914 -0.103 0.000 3.147 317 V HA 0.606 4.726 4.120 -0.000 0.000 0.306 317 V C -1.061 174.983 176.094 -0.082 0.000 1.209 317 V CA -1.083 61.165 62.300 -0.087 0.000 1.023 317 V CB 1.826 33.570 31.823 -0.132 0.000 1.059 317 V HN 0.112 nan 8.190 nan 0.000 0.435 318 N N 2.216 120.859 118.700 -0.095 0.000 2.438 318 N HA 0.604 5.343 4.740 -0.000 0.000 0.282 318 N C -1.062 174.399 175.510 -0.081 0.000 1.037 318 N CA -0.158 52.851 53.050 -0.069 0.000 0.942 318 N CB 1.752 40.207 38.487 -0.054 0.000 1.136 318 N HN 0.820 nan 8.380 nan 0.000 0.481 319 L N 3.348 124.542 121.223 -0.048 0.000 2.280 319 L HA 0.466 4.805 4.340 -0.000 0.000 0.287 319 L C -1.178 175.679 176.870 -0.021 0.000 1.023 319 L CA -0.711 54.106 54.840 -0.039 0.000 0.819 319 L CB 0.938 42.988 42.059 -0.015 0.000 1.212 319 L HN 0.366 nan 8.230 nan 0.000 0.420 320 L N 5.848 127.060 121.223 -0.018 0.000 2.296 320 L HA 0.634 4.973 4.340 -0.000 0.000 0.286 320 L C -0.741 176.138 176.870 0.015 0.000 1.023 320 L CA -0.060 54.781 54.840 0.002 0.000 0.812 320 L CB 0.802 42.862 42.059 0.003 0.000 1.223 320 L HN 0.514 nan 8.230 nan 0.000 0.421 321 R N 6.369 126.887 120.500 0.030 0.000 2.513 321 R HA 0.259 4.599 4.340 -0.000 0.000 0.283 321 R C 0.354 176.693 176.300 0.065 0.000 1.535 321 R CA -0.566 55.557 56.100 0.038 0.000 1.315 321 R CB 1.088 31.405 30.300 0.028 0.000 1.163 321 R HN 0.687 nan 8.270 nan 0.000 0.573 322 L N 1.610 122.872 121.223 0.065 0.000 2.265 322 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 322 L C 1.615 178.538 176.870 0.087 0.000 1.117 322 L CA 1.822 56.712 54.840 0.084 0.000 0.782 322 L CB -0.398 41.685 42.059 0.040 0.000 0.914 322 L HN 0.531 nan 8.230 nan 0.000 0.441 323 D N -0.559 119.879 120.400 0.062 0.000 2.312 323 D HA -0.186 4.454 4.640 -0.000 0.000 0.211 323 D C 1.567 177.906 176.300 0.065 0.000 0.964 323 D CA 0.663 54.695 54.000 0.054 0.000 0.877 323 D CB -0.073 40.749 40.800 0.037 0.000 0.924 323 D HN 0.353 nan 8.370 nan 0.000 0.515 324 L N -0.177 121.090 121.223 0.074 0.000 2.910 324 L HA 0.210 4.550 4.340 -0.000 0.000 0.252 324 L C 0.019 176.926 176.870 0.060 0.000 1.195 324 L CA -0.876 53.995 54.840 0.052 0.000 1.003 324 L CB -0.306 41.767 42.059 0.023 0.000 1.328 324 L HN -0.103 nan 8.230 nan 0.000 0.540 325 Y N 1.374 121.673 120.300 -0.002 0.000 2.712 325 Y HA 0.248 4.798 4.550 -0.000 0.000 0.333 325 Y C 1.500 177.399 175.900 -0.002 0.000 1.225 325 Y CA 1.192 59.291 58.100 -0.002 0.000 1.499 325 Y CB 0.795 39.254 38.460 -0.002 0.000 1.288 325 Y HN 0.313 nan 8.280 nan 0.000 0.575 326 G N 2.923 111.304 108.800 -0.699 0.000 2.184 326 G HA2 -0.395 3.564 3.960 -0.000 0.000 0.264 326 G HA3 -0.395 3.564 3.960 -0.000 0.000 0.264 326 G C 0.891 175.684 174.900 -0.180 0.000 0.975 326 G CA 1.009 45.863 45.100 -0.409 0.000 0.642 326 G HN 1.096 nan 8.290 nan 0.000 0.536 327 T N -3.024 111.453 114.554 -0.130 0.000 3.035 327 T HA 0.442 4.791 4.350 -0.000 0.000 0.259 327 T C 2.385 177.042 174.700 -0.072 0.000 1.078 327 T CA 1.930 63.989 62.100 -0.070 0.000 1.132 327 T CB 0.409 69.254 68.868 -0.038 0.000 0.900 327 T HN 2.146 nan 8.240 nan 0.000 0.480 328 G N 0.998 109.740 108.800 -0.096 0.000 2.284 328 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.201 328 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.201 328 G C 0.527 175.391 174.900 -0.060 0.000 0.998 328 G CA 0.118 45.172 45.100 -0.075 0.000 0.651 328 G HN 0.515 nan 8.290 nan 0.000 0.489 329 E N 0.748 120.918 120.200 -0.051 0.000 2.624 329 E HA 0.131 4.481 4.350 -0.000 0.000 0.210 329 E C 1.829 178.414 176.600 -0.026 0.000 0.997 329 E CA 0.399 56.780 56.400 -0.032 0.000 0.999 329 E CB 0.296 29.985 29.700 -0.019 0.000 1.040 329 E HN 0.814 nan 8.360 nan 0.000 0.469 330 E N 0.468 120.642 120.200 -0.044 0.000 2.118 330 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 330 E C 0.585 177.185 176.600 -0.001 0.000 0.992 330 E CA 0.811 57.201 56.400 -0.018 0.000 0.804 330 E CB 0.136 29.797 29.700 -0.067 0.000 0.741 330 E HN -0.000 nan 8.360 nan 0.000 0.458 331 L N 1.503 122.716 121.223 -0.018 0.000 2.491 331 L HA 0.324 4.663 4.340 -0.000 0.000 0.267 331 L C -1.030 175.829 176.870 -0.019 0.000 0.971 331 L CA -0.221 54.611 54.840 -0.012 0.000 0.857 331 L CB 2.172 44.226 42.059 -0.009 0.000 1.226 331 L HN 0.229 nan 8.230 nan 0.000 0.408 332 T N 1.355 115.900 114.554 -0.015 0.000 2.916 332 T HA 0.849 5.198 4.350 -0.000 0.000 0.292 332 T C -0.755 173.935 174.700 -0.016 0.000 1.064 332 T CA -0.822 61.270 62.100 -0.014 0.000 1.011 332 T CB 1.823 70.687 68.868 -0.007 0.000 1.152 332 T HN 0.245 nan 8.240 nan 0.000 0.510 333 V N 2.287 122.192 119.914 -0.015 0.000 2.459 333 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 333 V C -0.220 175.868 176.094 -0.009 0.000 1.029 333 V CA -0.919 61.367 62.300 -0.023 0.000 0.874 333 V CB 1.213 33.016 31.823 -0.032 0.000 0.985 333 V HN 0.779 nan 8.190 nan 0.000 0.438 334 L N 5.631 126.849 121.223 -0.008 0.000 2.295 334 L HA 0.659 4.999 4.340 -0.000 0.000 0.285 334 L C 0.143 176.963 176.870 -0.083 0.000 1.035 334 L CA -0.524 54.337 54.840 0.035 0.000 0.806 334 L CB 1.344 43.492 42.059 0.147 0.000 1.214 334 L HN 0.578 nan 8.230 nan 0.000 0.426 335 R N 1.888 122.339 120.500 -0.081 0.000 2.832 335 R HA 0.545 4.885 4.340 -0.000 0.000 0.271 335 R C -1.043 175.088 176.300 -0.282 0.000 0.996 335 R CA -1.155 54.842 56.100 -0.172 0.000 0.977 335 R CB 2.190 32.440 30.300 -0.085 0.000 1.168 335 R HN 0.316 nan 8.270 nan 0.000 0.482 336 L N 3.612 124.641 121.223 -0.322 0.000 2.418 336 L HA 0.233 4.573 4.340 -0.000 0.000 0.274 336 L C -1.994 174.791 176.870 -0.143 0.000 1.135 336 L CA -1.592 53.046 54.840 -0.337 0.000 0.870 336 L CB 1.031 42.906 42.059 -0.306 0.000 1.154 336 L HN 0.494 nan 8.230 nan 0.000 0.462 337 P HA -0.027 nan 4.420 nan 0.000 0.221 337 P C -0.875 176.422 177.300 -0.004 0.000 1.150 337 P CA 1.051 64.161 63.100 0.017 0.000 0.800 337 P CB 0.332 32.088 31.700 0.094 0.000 0.787 338 E N -1.273 118.913 120.200 -0.024 0.000 2.390 338 E HA 0.208 4.557 4.350 -0.000 0.000 0.277 338 E C -1.154 175.422 176.600 -0.040 0.000 0.939 338 E CA -0.981 55.409 56.400 -0.016 0.000 0.769 338 E CB 1.011 30.716 29.700 0.009 0.000 1.251 338 E HN -0.156 nan 8.360 nan 0.000 0.450 339 D N 0.876 121.257 120.400 -0.032 0.000 2.488 339 D HA 0.368 5.008 4.640 -0.000 0.000 0.238 339 D C 0.166 176.436 176.300 -0.049 0.000 1.138 339 D CA 1.010 54.983 54.000 -0.045 0.000 0.873 339 D CB 1.067 41.851 40.800 -0.026 0.000 1.183 339 D HN 0.610 nan 8.370 nan 0.000 0.458 340 G N -0.470 108.280 108.800 -0.083 0.000 2.430 340 G HA2 0.433 4.393 3.960 -0.000 0.000 0.300 340 G HA3 0.433 4.393 3.960 -0.000 0.000 0.300 340 G C -1.788 173.020 174.900 -0.153 0.000 1.330 340 G CA -0.660 44.382 45.100 -0.097 0.000 0.813 340 G HN 0.337 nan 8.290 nan 0.000 0.487 341 V N 2.148 121.945 119.914 -0.196 0.000 2.407 341 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 341 V C -2.191 173.750 176.094 -0.254 0.000 1.018 341 V CA -1.480 60.643 62.300 -0.295 0.000 0.842 341 V CB 1.915 33.410 31.823 -0.547 0.000 0.996 341 V HN 0.594 nan 8.190 nan 0.000 0.426 342 P HA 0.226 nan 4.420 nan 0.000 0.271 342 P C 0.486 177.746 177.300 -0.067 0.000 1.233 342 P CA 0.031 63.096 63.100 -0.058 0.000 0.764 342 P CB 1.195 32.880 31.700 -0.026 0.000 0.825 343 I N 3.121 123.666 120.570 -0.042 0.000 2.628 343 I HA 0.048 4.217 4.170 -0.000 0.000 0.255 343 I C 1.156 177.230 176.117 -0.072 0.000 1.119 343 I CA 1.011 62.222 61.300 -0.148 0.000 1.448 343 I CB -0.757 37.095 38.000 -0.247 0.000 1.133 343 I HN 0.305 nan 8.210 nan 0.000 0.438 344 L N -0.950 120.277 121.223 0.007 0.000 2.540 344 L HA 0.617 4.957 4.340 -0.000 0.000 0.256 344 L C -0.761 176.044 176.870 -0.108 0.000 1.001 344 L CA -0.767 54.034 54.840 -0.065 0.000 0.843 344 L CB 1.818 43.862 42.059 -0.026 0.000 1.436 344 L HN 0.223 nan 8.230 nan 0.000 0.410 345 H N -0.747 118.120 119.070 -0.338 0.000 2.985 345 H HA 0.689 5.245 4.556 -0.000 0.000 0.360 345 H C -1.274 173.841 175.328 -0.356 0.000 1.221 345 H CA -1.166 54.510 56.048 -0.621 0.000 1.121 345 H CB 0.815 29.752 29.762 -1.374 0.000 1.854 345 H HN 0.718 nan 8.280 nan 0.000 0.551 346 F N 1.422 121.265 119.950 -0.178 0.000 2.563 346 F HA 0.358 4.885 4.527 -0.000 0.000 0.363 346 F C 1.217 176.951 175.800 -0.111 0.000 1.123 346 F CA 0.324 58.277 58.000 -0.078 0.000 1.307 346 F CB 0.622 39.653 39.000 0.052 0.000 1.115 346 F HN 0.829 nan 8.300 nan 0.000 0.592 347 A N 3.706 126.178 122.820 -0.581 0.000 2.208 347 A HA 0.150 4.470 4.320 -0.000 0.000 0.209 347 A C 0.888 178.177 177.584 -0.491 0.000 1.161 347 A CA 0.838 52.590 52.037 -0.475 0.000 0.782 347 A CB -0.447 18.344 19.000 -0.348 0.000 0.816 347 A HN 0.582 nan 8.150 nan 0.000 0.477 348 S N -2.048 113.205 115.700 -0.745 0.000 2.607 348 S HA 0.627 5.096 4.470 -0.000 0.000 0.303 348 S C 0.412 175.033 174.600 0.035 0.000 1.086 348 S CA 0.052 58.009 58.200 -0.406 0.000 0.995 348 S CB 1.778 64.635 63.200 -0.572 0.000 1.084 348 S HN 0.712 nan 8.310 nan 0.000 0.507 349 A N 1.816 124.689 122.820 0.088 0.000 2.387 349 A HA 0.477 4.797 4.320 -0.000 0.000 0.234 349 A C 0.327 177.959 177.584 0.080 0.000 1.253 349 A CA 0.061 52.182 52.037 0.140 0.000 0.894 349 A CB -0.476 18.574 19.000 0.082 0.000 0.963 349 A HN 1.096 nan 8.150 nan 0.000 0.508 350 S N 0.023 115.783 115.700 0.100 0.000 2.594 350 S HA 0.671 5.140 4.470 -0.000 0.000 0.296 350 S C -0.617 174.010 174.600 0.045 0.000 1.124 350 S CA -0.237 57.989 58.200 0.043 0.000 1.011 350 S CB 1.243 64.445 63.200 0.004 0.000 1.016 350 S HN 1.080 nan 8.310 nan 0.000 0.485 351 V N -0.001 119.894 119.914 -0.032 0.000 2.914 351 V HA 0.700 4.819 4.120 -0.000 0.000 0.314 351 V C -0.881 175.131 176.094 -0.137 0.000 1.084 351 V CA -0.880 61.343 62.300 -0.130 0.000 0.963 351 V CB 1.464 33.238 31.823 -0.081 0.000 1.025 351 V HN 0.983 nan 8.190 nan 0.000 0.432 352 H N 1.183 120.236 119.070 -0.028 0.000 2.495 352 H HA 0.433 4.988 4.556 -0.000 0.000 0.350 352 H C -0.009 175.289 175.328 -0.051 0.000 1.202 352 H CA -0.436 55.593 56.048 -0.031 0.000 1.322 352 H CB 1.177 30.920 29.762 -0.031 0.000 1.544 352 H HN 0.919 nan 8.280 nan 0.000 0.565 353 Q N 0.083 119.938 119.800 0.093 0.000 2.286 353 Q HA 0.160 4.500 4.340 -0.000 0.000 0.290 353 Q C 0.650 176.647 176.000 -0.006 0.000 1.049 353 Q CA 1.055 56.867 55.803 0.014 0.000 0.923 353 Q CB 0.055 28.788 28.738 -0.008 0.000 1.183 353 Q HN 0.977 nan 8.270 nan 0.000 0.383 354 G N 2.660 111.439 108.800 -0.035 0.000 2.241 354 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 354 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 354 G C 0.141 175.034 174.900 -0.013 0.000 0.998 354 G CA 0.142 45.212 45.100 -0.051 0.000 0.621 354 G HN 0.680 nan 8.290 nan 0.000 0.519 355 T N 1.527 116.041 114.554 -0.066 0.000 2.908 355 T HA 0.323 4.673 4.350 -0.000 0.000 0.301 355 T C 0.449 175.043 174.700 -0.177 0.000 1.019 355 T CA 0.605 62.584 62.100 -0.202 0.000 1.152 355 T CB 1.321 69.939 68.868 -0.417 0.000 0.966 355 T HN 0.440 nan 8.240 nan 0.000 0.540 356 E N 3.022 123.114 120.200 -0.179 0.000 2.220 356 E HA 0.069 4.419 4.350 -0.000 0.000 0.272 356 E C 0.536 177.027 176.600 -0.182 0.000 1.099 356 E CA -0.258 56.032 56.400 -0.183 0.000 0.907 356 E CB 0.224 29.852 29.700 -0.120 0.000 1.022 356 E HN 0.604 nan 8.360 nan 0.000 0.428 357 L N 4.575 125.793 121.223 -0.008 0.000 2.127 357 L HA 0.057 4.397 4.340 -0.000 0.000 0.203 357 L C 0.074 177.053 176.870 0.181 0.000 1.080 357 L CA 0.677 55.643 54.840 0.210 0.000 0.768 357 L CB 0.141 42.472 42.059 0.453 0.000 0.924 357 L HN 0.568 nan 8.230 nan 0.000 0.444 358 Y N -1.478 118.910 120.300 0.147 0.000 2.597 358 Y HA 0.392 4.941 4.550 -0.000 0.000 0.340 358 Y C -0.590 175.290 175.900 -0.033 0.000 1.097 358 Y CA -1.194 56.959 58.100 0.088 0.000 1.037 358 Y CB 1.626 40.126 38.460 0.067 0.000 1.305 358 Y HN -0.257 nan 8.280 nan 0.000 0.463 359 K N 1.827 122.293 120.400 0.110 0.000 2.292 359 K HA 0.791 5.111 4.320 -0.000 0.000 0.257 359 K C -1.389 175.207 176.600 -0.008 0.000 0.940 359 K CA -0.664 55.542 56.287 -0.134 0.000 0.811 359 K CB 2.322 34.601 32.500 -0.368 0.000 1.120 359 K HN 0.345 nan 8.250 nan 0.000 0.428 363 K N 0.269 120.728 120.400 0.099 0.000 3.148 363 K HA -0.115 4.205 4.320 -0.000 0.000 0.267 363 K C 0.000 176.738 176.600 0.230 0.000 0.996 363 K CA 0.514 56.900 56.287 0.165 0.000 0.737 363 K CB -2.129 30.487 32.500 0.193 0.000 1.308 363 K HN 0.612 nan 8.250 nan 0.000 0.470 364 V N 1.506 121.485 119.914 0.110 0.000 2.686 364 V HA 0.397 4.517 4.120 -0.000 0.000 0.295 364 V C 0.282 176.458 176.094 0.138 0.000 1.055 364 V CA 0.067 62.367 62.300 0.001 0.000 1.050 364 V CB 0.091 31.877 31.823 -0.061 0.000 0.984 364 V HN 0.294 nan 8.190 nan 0.000 0.482 365 F N 0.516 120.556 119.950 0.150 0.000 2.613 365 F HA 0.665 5.192 4.527 -0.000 0.000 0.314 365 F C -0.258 175.683 175.800 0.236 0.000 1.075 365 F CA -1.442 56.658 58.000 0.168 0.000 0.945 365 F CB 1.336 40.407 39.000 0.118 0.000 1.310 365 F HN 0.467 nan 8.300 nan 0.000 0.467 366 E N 2.359 122.789 120.200 0.384 0.000 2.338 366 E HA 0.290 4.639 4.350 -0.000 0.000 0.272 366 E C -0.410 176.284 176.600 0.157 0.000 1.029 366 E CA -0.448 56.012 56.400 0.099 0.000 0.872 366 E CB 0.801 30.496 29.700 -0.009 0.000 1.015 366 E HN 0.703 nan 8.360 nan 0.000 0.417 367 L N 0.000 121.206 121.223 -0.028 0.000 2.949 367 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 367 L CA 0.000 54.872 54.840 0.053 0.000 0.813 367 L CB 0.000 42.007 42.059 -0.087 0.000 0.961 367 L HN 0.000 nan 8.230 nan 0.000 0.502