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 2r2n_1_C DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPIR TMTDILSRGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSKIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.053 176.300 -0.412 0.000 1.140 1 M CA 0.000 55.028 55.300 -0.453 0.000 0.988 1 M CB 0.000 32.496 32.600 -0.173 0.000 1.302 2 N N 0.878 119.436 118.700 -0.237 0.000 2.767 2 N HA 0.184 4.924 4.740 -0.000 0.000 0.238 2 N C -0.368 175.153 175.510 0.018 0.000 1.083 2 N CA -0.174 52.815 53.050 -0.102 0.000 0.964 2 N CB 0.307 38.759 38.487 -0.058 0.000 1.252 2 N HN 0.496 nan 8.380 nan 0.000 0.512 3 Y N 1.746 122.169 120.300 0.204 0.000 2.439 3 Y HA -0.064 4.486 4.550 0.000 0.000 0.292 3 Y C 2.426 178.466 175.900 0.233 0.000 1.130 3 Y CA 0.696 58.975 58.100 0.298 0.000 1.254 3 Y CB 0.212 38.778 38.460 0.177 0.000 1.000 3 Y HN 0.661 nan 8.280 nan 0.000 0.554 4 A N 1.238 124.192 122.820 0.223 0.000 2.024 4 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 4 A C 2.200 179.799 177.584 0.026 0.000 1.164 4 A CA 1.795 53.900 52.037 0.113 0.000 0.643 4 A CB -0.633 18.402 19.000 0.058 0.000 0.806 4 A HN 0.613 nan 8.150 nan 0.000 0.451 5 R N -1.841 118.598 120.500 -0.102 0.000 2.276 5 R HA 0.082 4.422 4.340 -0.000 0.000 0.203 5 R C 0.358 176.370 176.300 -0.480 0.000 1.017 5 R CA 1.112 57.003 56.100 -0.348 0.000 1.010 5 R CB -0.438 29.548 30.300 -0.523 0.000 0.900 5 R HN 0.434 nan 8.270 nan 0.000 0.469 6 F N 1.006 121.021 119.950 0.108 0.000 2.647 6 F HA 0.448 4.975 4.527 0.000 0.000 0.300 6 F C 0.185 176.057 175.800 0.121 0.000 1.106 6 F CA -0.521 57.560 58.000 0.135 0.000 1.313 6 F CB 0.588 39.695 39.000 0.179 0.000 1.007 6 F HN -0.128 nan 8.300 nan 0.000 0.536 7 I N -0.113 120.576 120.570 0.198 0.000 2.439 7 I HA 0.167 4.337 4.170 -0.000 0.000 0.285 7 I C 0.400 176.565 176.117 0.081 0.000 1.021 7 I CA -0.454 60.932 61.300 0.143 0.000 1.091 7 I CB 1.734 39.813 38.000 0.131 0.000 1.242 7 I HN -0.174 nan 8.210 nan 0.000 0.439 8 T N 3.717 118.315 114.554 0.075 0.000 2.802 8 T HA 0.166 4.516 4.350 -0.000 0.000 0.305 8 T C 1.336 176.050 174.700 0.024 0.000 1.053 8 T CA 0.499 62.625 62.100 0.044 0.000 1.058 8 T CB 1.265 70.162 68.868 0.047 0.000 0.988 8 T HN 0.745 nan 8.240 nan 0.000 0.539 9 A N 2.439 125.266 122.820 0.011 0.000 1.902 9 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 9 A C 2.560 180.141 177.584 -0.004 0.000 1.181 9 A CA 2.042 54.081 52.037 0.003 0.000 0.623 9 A CB -1.202 17.798 19.000 -0.001 0.000 0.818 9 A HN 0.948 nan 8.150 nan 0.000 0.443 10 A N -0.916 121.897 122.820 -0.011 0.000 1.902 10 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 10 A C 2.493 180.051 177.584 -0.044 0.000 1.181 10 A CA 2.160 54.178 52.037 -0.031 0.000 0.623 10 A CB -0.992 17.983 19.000 -0.043 0.000 0.818 10 A HN 0.569 nan 8.150 nan 0.000 0.443 11 S N -0.348 115.334 115.700 -0.029 0.000 2.356 11 S HA -0.058 4.412 4.470 -0.000 0.000 0.223 11 S C 2.183 176.780 174.600 -0.004 0.000 1.032 11 S CA 1.602 59.788 58.200 -0.024 0.000 1.005 11 S CB -0.496 62.714 63.200 0.016 0.000 0.867 11 S HN 0.837 nan 8.310 nan 0.000 0.449 12 A N 1.053 123.879 122.820 0.010 0.000 1.972 12 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 12 A C 2.341 179.928 177.584 0.005 0.000 1.169 12 A CA 1.760 53.807 52.037 0.016 0.000 0.635 12 A CB -1.131 17.883 19.000 0.022 0.000 0.810 12 A HN 0.765 nan 8.150 nan 0.000 0.446 13 A N -0.355 122.462 122.820 -0.006 0.000 2.119 13 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 13 A C 1.317 178.893 177.584 -0.013 0.000 1.153 13 A CA -0.014 52.017 52.037 -0.009 0.000 0.692 13 A CB -0.251 18.741 19.000 -0.015 0.000 0.799 13 A HN 0.531 nan 8.150 nan 0.000 0.458 14 R N 1.581 122.069 120.500 -0.019 0.000 2.484 14 R HA 0.102 4.442 4.340 -0.000 0.000 0.293 14 R C -0.943 175.355 176.300 -0.004 0.000 1.023 14 R CA 0.021 56.111 56.100 -0.018 0.000 1.037 14 R CB 0.088 30.374 30.300 -0.024 0.000 0.951 14 R HN 0.367 nan 8.270 nan 0.000 0.418 15 N N 3.910 122.609 118.700 -0.002 0.000 2.405 15 N HA 0.179 4.919 4.740 -0.000 0.000 0.299 15 N C -1.537 173.976 175.510 0.005 0.000 1.075 15 N CA -1.685 51.367 53.050 0.002 0.000 0.884 15 N CB 1.471 39.959 38.487 0.001 0.000 1.194 15 N HN 0.323 nan 8.380 nan 0.000 0.491 16 P HA -0.081 nan 4.420 nan 0.000 0.215 16 P C 0.378 177.681 177.300 0.005 0.000 1.157 16 P CA 1.105 64.209 63.100 0.007 0.000 0.868 16 P CB 0.302 32.006 31.700 0.007 0.000 0.788 17 S N 0.265 115.967 115.700 0.002 0.000 2.625 17 S HA 0.199 4.669 4.470 -0.000 0.000 0.258 17 S C -1.166 173.432 174.600 -0.004 0.000 1.256 17 S CA -0.596 57.604 58.200 -0.001 0.000 0.983 17 S CB -0.543 62.657 63.200 -0.000 0.000 1.032 17 S HN 0.218 nan 8.310 nan 0.000 0.572 18 P HA 0.402 nan 4.420 nan 0.000 0.187 18 P C 1.053 178.347 177.300 -0.010 0.000 1.067 18 P CA -0.162 62.935 63.100 -0.007 0.000 0.882 18 P CB -0.306 31.390 31.700 -0.006 0.000 0.734 19 I N 0.957 121.519 120.570 -0.013 0.000 4.215 19 I HA -0.404 3.766 4.170 -0.000 0.000 0.124 19 I C 2.341 178.448 176.117 -0.015 0.000 0.688 19 I CA 2.960 64.250 61.300 -0.017 0.000 0.823 19 I CB -1.272 36.711 38.000 -0.027 0.000 0.678 19 I HN 0.168 nan 8.210 nan 0.000 0.238 20 R N 0.702 121.191 120.500 -0.019 0.000 2.377 20 R HA -0.063 4.277 4.340 -0.000 0.000 0.207 20 R C 1.201 177.495 176.300 -0.010 0.000 1.075 20 R CA 1.507 57.597 56.100 -0.017 0.000 1.035 20 R CB -1.435 28.852 30.300 -0.021 0.000 0.857 20 R HN 0.694 nan 8.270 nan 0.000 0.475 21 T N -2.483 112.066 114.554 -0.008 0.000 3.272 21 T HA 0.187 4.537 4.350 -0.000 0.000 0.250 21 T C 1.429 176.127 174.700 -0.005 0.000 1.082 21 T CA -0.159 61.938 62.100 -0.005 0.000 0.968 21 T CB 0.165 69.031 68.868 -0.003 0.000 1.015 21 T HN 0.035 nan 8.240 nan 0.000 0.563 22 M N 1.253 120.849 119.600 -0.006 0.000 2.544 22 M HA 0.136 4.616 4.480 -0.000 0.000 0.251 22 M C 2.455 178.752 176.300 -0.005 0.000 1.189 22 M CA 1.019 56.316 55.300 -0.005 0.000 1.218 22 M CB -1.371 31.226 32.600 -0.005 0.000 1.259 22 M HN 0.206 nan 8.290 nan 0.000 0.495 23 T N 1.318 115.868 114.554 -0.006 0.000 2.755 23 T HA -0.240 4.109 4.350 -0.000 0.000 0.266 23 T C 1.265 175.962 174.700 -0.006 0.000 1.041 23 T CA 2.235 64.331 62.100 -0.006 0.000 1.147 23 T CB -0.540 68.323 68.868 -0.007 0.000 0.847 23 T HN 0.459 nan 8.240 nan 0.000 0.478 24 D N 0.855 121.252 120.400 -0.006 0.000 2.092 24 D HA -0.112 4.528 4.640 -0.000 0.000 0.193 24 D C 1.979 178.276 176.300 -0.005 0.000 0.994 24 D CA 1.246 55.243 54.000 -0.006 0.000 0.828 24 D CB -0.511 40.286 40.800 -0.004 0.000 0.963 24 D HN 0.455 nan 8.370 nan 0.000 0.450 25 I N -0.248 120.320 120.570 -0.004 0.000 2.194 25 I HA -0.246 3.924 4.170 -0.000 0.000 0.246 25 I C 2.433 178.547 176.117 -0.004 0.000 1.093 25 I CA 0.729 62.026 61.300 -0.004 0.000 1.355 25 I CB -0.378 37.620 38.000 -0.003 0.000 1.046 25 I HN 0.188 nan 8.210 nan 0.000 0.413 26 L N 0.298 121.518 121.223 -0.005 0.000 2.046 26 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 26 L C 2.603 179.469 176.870 -0.007 0.000 1.077 26 L CA 1.775 56.611 54.840 -0.005 0.000 0.747 26 L CB -0.572 41.484 42.059 -0.005 0.000 0.896 26 L HN 0.074 nan 8.230 nan 0.000 0.432 27 S N 0.186 115.882 115.700 -0.007 0.000 2.387 27 S HA -0.176 4.294 4.470 -0.000 0.000 0.230 27 S C 1.699 176.294 174.600 -0.008 0.000 1.035 27 S CA 1.718 59.913 58.200 -0.009 0.000 1.014 27 S CB -0.320 62.874 63.200 -0.009 0.000 0.836 27 S HN 0.599 nan 8.310 nan 0.000 0.466 28 R N 1.009 121.505 120.500 -0.007 0.000 2.596 28 R HA 0.295 4.635 4.340 -0.000 0.000 0.369 28 R C 0.503 176.800 176.300 -0.005 0.000 1.042 28 R CA 0.104 56.200 56.100 -0.006 0.000 1.120 28 R CB -0.710 29.587 30.300 -0.005 0.000 1.353 28 R HN 0.243 nan 8.270 nan 0.000 0.564 29 G N 1.839 110.636 108.800 -0.005 0.000 2.525 29 G HA2 0.501 4.461 3.960 -0.000 0.000 0.287 29 G HA3 0.501 4.461 3.960 -0.000 0.000 0.287 29 G C -2.351 172.546 174.900 -0.005 0.000 1.350 29 G CA -1.003 44.094 45.100 -0.005 0.000 1.039 29 G HN 0.129 nan 8.290 nan 0.000 0.513 30 P HA 0.287 nan 4.420 nan 0.000 0.272 30 P C 0.385 177.681 177.300 -0.006 0.000 1.223 30 P CA -0.434 62.662 63.100 -0.005 0.000 0.784 30 P CB 1.050 32.747 31.700 -0.005 0.000 0.923 31 K N 0.920 121.316 120.400 -0.007 0.000 2.360 31 K HA -0.100 4.220 4.320 -0.000 0.000 0.201 31 K C 1.579 178.174 176.600 -0.007 0.000 1.046 31 K CA 1.403 57.685 56.287 -0.008 0.000 0.945 31 K CB -0.296 32.200 32.500 -0.008 0.000 0.750 31 K HN 0.506 nan 8.250 nan 0.000 0.464 32 S N -0.436 115.260 115.700 -0.006 0.000 2.562 32 S HA 0.005 4.475 4.470 -0.000 0.000 0.221 32 S C 0.800 175.397 174.600 -0.006 0.000 0.975 32 S CA -0.280 57.917 58.200 -0.006 0.000 0.918 32 S CB -0.359 62.838 63.200 -0.005 0.000 0.772 32 S HN 0.268 nan 8.310 nan 0.000 0.531 33 M N 1.876 121.472 119.600 -0.005 0.000 2.250 33 M HA 0.267 4.747 4.480 -0.000 0.000 0.337 33 M C -1.129 175.168 176.300 -0.005 0.000 1.161 33 M CA 0.548 55.846 55.300 -0.005 0.000 1.088 33 M CB 0.209 32.806 32.600 -0.005 0.000 1.639 33 M HN 0.249 nan 8.290 nan 0.000 0.447 34 I N 3.383 123.951 120.570 -0.004 0.000 2.418 34 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 34 I C -0.559 175.556 176.117 -0.004 0.000 1.008 34 I CA -0.416 60.881 61.300 -0.004 0.000 1.104 34 I CB 1.931 39.928 38.000 -0.004 0.000 1.264 34 I HN 0.567 nan 8.210 nan 0.000 0.438 35 S N 6.599 122.297 115.700 -0.003 0.000 2.473 35 S HA 0.603 5.073 4.470 -0.000 0.000 0.307 35 S C 0.093 174.692 174.600 -0.001 0.000 1.094 35 S CA -0.580 57.619 58.200 -0.002 0.000 1.070 35 S CB 0.955 64.154 63.200 -0.001 0.000 1.019 35 S HN 0.614 nan 8.310 nan 0.000 0.480 36 L N 3.956 125.179 121.223 -0.000 0.000 3.014 36 L HA 0.379 4.719 4.340 -0.000 0.000 0.263 36 L C 1.614 178.485 176.870 0.002 0.000 1.207 36 L CA -0.097 54.744 54.840 0.001 0.000 1.017 36 L CB -0.030 42.029 42.059 0.000 0.000 1.360 36 L HN 0.761 nan 8.230 nan 0.000 0.560 37 A N 0.037 122.858 122.820 0.002 0.000 2.095 37 A HA 0.360 4.680 4.320 -0.000 0.000 0.212 37 A C 1.320 178.904 177.584 0.001 0.000 1.162 37 A CA 0.545 52.583 52.037 0.001 0.000 0.753 37 A CB -0.099 18.900 19.000 -0.001 0.000 0.840 37 A HN 0.337 nan 8.150 nan 0.000 0.468 38 G N -1.602 107.201 108.800 0.004 0.000 2.562 38 G HA2 0.421 4.381 3.960 -0.000 0.000 0.275 38 G HA3 0.421 4.381 3.960 -0.000 0.000 0.275 38 G C 0.615 175.523 174.900 0.013 0.000 1.196 38 G CA 0.099 45.203 45.100 0.006 0.000 0.908 38 G HN 0.564 nan 8.290 nan 0.000 0.524 39 G N -0.440 108.366 108.800 0.010 0.000 3.805 39 G HA2 0.374 4.334 3.960 -0.000 0.000 0.290 39 G HA3 0.374 4.334 3.960 -0.000 0.000 0.290 39 G C 0.346 175.297 174.900 0.086 0.000 1.077 39 G CA -0.438 44.676 45.100 0.023 0.000 0.852 39 G HN 0.411 nan 8.290 nan 0.000 0.531 40 L N 2.472 123.764 121.223 0.115 0.000 2.331 40 L HA 0.320 4.660 4.340 -0.000 0.000 0.278 40 L C -1.430 175.542 176.870 0.169 0.000 1.106 40 L CA -1.651 53.321 54.840 0.219 0.000 0.824 40 L CB 0.860 43.017 42.059 0.164 0.000 1.142 40 L HN 0.064 nan 8.230 nan 0.000 0.443 41 P HA 0.038 nan 4.420 nan 0.000 0.274 41 P C -0.782 176.489 177.300 -0.048 0.000 1.246 41 P CA -0.604 62.557 63.100 0.103 0.000 0.795 41 P CB 0.584 32.402 31.700 0.197 0.000 1.006 42 N N 2.245 120.855 118.700 -0.151 0.000 2.431 42 N HA 0.029 4.769 4.740 -0.000 0.000 0.265 42 N C -1.361 173.806 175.510 -0.572 0.000 1.184 42 N CA -1.377 51.528 53.050 -0.241 0.000 0.943 42 N CB 0.518 38.896 38.487 -0.181 0.000 1.080 42 N HN 0.251 nan 8.380 nan 0.000 0.477 43 P HA -0.002 nan 4.420 nan 0.000 0.241 43 P C 0.371 177.356 177.300 -0.526 0.000 1.191 43 P CA 0.482 63.106 63.100 -0.792 0.000 0.771 43 P CB 0.495 32.092 31.700 -0.172 0.000 0.929 44 N N -0.253 118.248 118.700 -0.331 0.000 2.453 44 N HA -0.013 4.727 4.740 -0.000 0.000 0.183 44 N C 1.469 176.871 175.510 -0.182 0.000 1.041 44 N CA 0.926 53.867 53.050 -0.183 0.000 0.900 44 N CB -0.162 38.255 38.487 -0.117 0.000 0.961 44 N HN 0.151 nan 8.380 nan 0.000 0.443 45 M N 0.120 119.539 119.600 -0.302 0.000 2.492 45 M HA 0.075 4.555 4.480 -0.000 0.000 0.262 45 M C -0.142 176.155 176.300 -0.006 0.000 1.090 45 M CA 0.118 55.321 55.300 -0.162 0.000 1.110 45 M CB -0.773 31.733 32.600 -0.158 0.000 1.407 45 M HN -0.157 nan 8.290 nan 0.000 0.470 46 F N 2.285 122.223 119.950 -0.021 0.000 2.529 46 F HA 0.141 4.668 4.527 -0.000 0.000 0.365 46 F C -1.003 174.744 175.800 -0.089 0.000 1.102 46 F CA -2.234 55.747 58.000 -0.031 0.000 1.271 46 F CB -0.685 38.342 39.000 0.045 0.000 1.120 46 F HN 0.070 nan 8.300 nan 0.000 0.579 47 P HA -0.058 nan 4.420 nan 0.000 0.227 47 P C -0.093 177.058 177.300 -0.247 0.000 1.161 47 P CA 0.707 63.665 63.100 -0.237 0.000 0.788 47 P CB 0.107 31.568 31.700 -0.397 0.000 0.822 48 F N 0.890 120.895 119.950 0.092 0.000 2.456 48 F HA 0.224 4.751 4.527 -0.000 0.000 0.358 48 F C 1.785 177.661 175.800 0.127 0.000 1.095 48 F CA 0.009 58.062 58.000 0.090 0.000 1.216 48 F CB 0.466 39.512 39.000 0.077 0.000 1.125 48 F HN -0.299 nan 8.300 nan 0.000 0.549 49 K N 0.509 121.068 120.400 0.265 0.000 2.403 49 K HA 0.162 4.482 4.320 -0.000 0.000 0.199 49 K C 0.418 177.129 176.600 0.184 0.000 1.199 49 K CA 0.652 57.050 56.287 0.185 0.000 0.924 49 K CB 0.472 33.038 32.500 0.110 0.000 1.137 49 K HN 0.736 nan 8.250 nan 0.000 0.510 50 T N -1.608 113.060 114.554 0.189 0.000 2.883 50 T HA 0.802 5.152 4.350 -0.000 0.000 0.301 50 T C -1.299 173.498 174.700 0.161 0.000 1.158 50 T CA -0.956 61.243 62.100 0.165 0.000 1.007 50 T CB 2.431 71.358 68.868 0.098 0.000 1.186 50 T HN 0.065 nan 8.240 nan 0.000 0.499 51 A N 0.887 123.767 122.820 0.100 0.000 2.414 51 A HA 0.873 5.193 4.320 -0.000 0.000 0.306 51 A C -0.915 176.570 177.584 -0.164 0.000 1.054 51 A CA -0.866 51.148 52.037 -0.038 0.000 0.724 51 A CB 2.023 20.922 19.000 -0.168 0.000 1.267 51 A HN 1.723 nan 8.150 nan 0.000 0.418 52 V N 3.760 123.587 119.914 -0.144 0.000 2.482 52 V HA 0.710 4.830 4.120 -0.000 0.000 0.295 52 V C -1.390 174.601 176.094 -0.171 0.000 1.026 52 V CA -0.479 61.724 62.300 -0.161 0.000 0.856 52 V CB 0.921 32.690 31.823 -0.090 0.000 1.001 52 V HN 0.705 nan 8.190 nan 0.000 0.424 53 I N 6.653 127.087 120.570 -0.228 0.000 2.410 53 I HA 0.412 4.582 4.170 -0.000 0.000 0.286 53 I C 0.458 176.475 176.117 -0.167 0.000 1.009 53 I CA -0.478 60.700 61.300 -0.202 0.000 1.111 53 I CB 2.403 40.237 38.000 -0.277 0.000 1.262 53 I HN 0.746 nan 8.210 nan 0.000 0.443 54 T N 3.328 117.812 114.554 -0.118 0.000 2.910 54 T HA 0.616 4.966 4.350 -0.000 0.000 0.293 54 T C -0.270 174.369 174.700 -0.101 0.000 1.015 54 T CA -0.597 61.447 62.100 -0.094 0.000 1.094 54 T CB 1.700 70.531 68.868 -0.061 0.000 0.968 54 T HN 0.225 nan 8.240 nan 0.000 0.521 55 V N 3.041 122.902 119.914 -0.089 0.000 2.531 55 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 55 V C 0.183 176.273 176.094 -0.006 0.000 1.034 55 V CA -1.085 61.165 62.300 -0.083 0.000 0.865 55 V CB 1.550 33.276 31.823 -0.161 0.000 0.995 55 V HN 1.108 nan 8.190 nan 0.000 0.424 56 E N 5.075 125.294 120.200 0.032 0.000 2.338 56 E HA 0.193 4.543 4.350 -0.000 0.000 0.272 56 E C 0.180 176.876 176.600 0.161 0.000 1.029 56 E CA -0.344 56.100 56.400 0.074 0.000 0.872 56 E CB 0.306 30.044 29.700 0.063 0.000 1.015 56 E HN 0.639 nan 8.360 nan 0.000 0.417 57 N N 1.675 120.460 118.700 0.141 0.000 2.721 57 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 57 N C -0.478 175.237 175.510 0.342 0.000 1.072 57 N CA 1.420 54.579 53.050 0.181 0.000 0.710 57 N CB -1.303 37.261 38.487 0.128 0.000 0.993 57 N HN 0.757 nan 8.380 nan 0.000 0.547 58 G N -0.836 108.107 108.800 0.239 0.000 2.608 58 G HA2 0.440 4.400 3.960 -0.000 0.000 0.291 58 G HA3 0.440 4.400 3.960 -0.000 0.000 0.291 58 G C -1.192 173.729 174.900 0.036 0.000 1.425 58 G CA -0.791 44.422 45.100 0.188 0.000 0.787 58 G HN 0.129 nan 8.290 nan 0.000 0.484 59 K N 0.190 120.584 120.400 -0.011 0.000 2.237 59 K HA 0.447 4.767 4.320 -0.000 0.000 0.270 59 K C 0.882 177.431 176.600 -0.086 0.000 1.015 59 K CA -0.113 56.152 56.287 -0.036 0.000 0.949 59 K CB 0.616 33.096 32.500 -0.033 0.000 0.976 59 K HN 0.682 nan 8.250 nan 0.000 0.472 60 T N 1.863 116.373 114.554 -0.074 0.000 2.930 60 T HA 0.215 4.565 4.350 -0.000 0.000 0.306 60 T C 0.333 174.956 174.700 -0.129 0.000 1.045 60 T CA -0.448 61.590 62.100 -0.103 0.000 1.134 60 T CB 0.182 69.000 68.868 -0.082 0.000 0.961 60 T HN 0.403 nan 8.240 nan 0.000 0.545 61 I N 3.157 123.617 120.570 -0.183 0.000 2.353 61 I HA 0.307 4.477 4.170 -0.000 0.000 0.293 61 I C 0.540 176.504 176.117 -0.256 0.000 0.992 61 I CA -0.410 60.757 61.300 -0.221 0.000 1.268 61 I CB 1.263 39.084 38.000 -0.300 0.000 1.387 61 I HN 0.644 nan 8.210 nan 0.000 0.478 62 Q N 5.869 125.568 119.800 -0.168 0.000 2.304 62 Q HA 0.459 4.799 4.340 -0.000 0.000 0.270 62 Q C -1.590 174.455 176.000 0.075 0.000 1.035 62 Q CA -0.731 55.002 55.803 -0.117 0.000 0.781 62 Q CB 2.633 31.344 28.738 -0.046 0.000 1.261 62 Q HN 0.377 nan 8.270 nan 0.000 0.444 63 F N 1.275 121.157 119.950 -0.113 0.000 2.361 63 F HA 0.436 4.963 4.527 -0.000 0.000 0.364 63 F C 0.941 176.711 175.800 -0.051 0.000 1.117 63 F CA -1.038 56.895 58.000 -0.112 0.000 1.071 63 F CB 0.833 39.740 39.000 -0.155 0.000 1.188 63 F HN 0.571 nan 8.300 nan 0.000 0.464 64 G N 2.504 111.388 108.800 0.140 0.000 2.516 64 G HA2 0.165 4.125 3.960 -0.000 0.000 0.276 64 G HA3 0.165 4.125 3.960 -0.000 0.000 0.276 64 G C 0.867 175.813 174.900 0.077 0.000 1.390 64 G CA -0.325 44.824 45.100 0.081 0.000 1.050 64 G HN 0.466 nan 8.290 nan 0.000 0.519 65 E N 0.131 120.363 120.200 0.053 0.000 2.070 65 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 65 E C 2.193 178.812 176.600 0.031 0.000 1.004 65 E CA 1.272 57.701 56.400 0.049 0.000 0.805 65 E CB -0.195 29.524 29.700 0.032 0.000 0.744 65 E HN 0.521 nan 8.360 nan 0.000 0.451 66 E N 0.306 120.508 120.200 0.005 0.000 2.072 66 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 66 E C 2.057 178.626 176.600 -0.053 0.000 0.982 66 E CA 0.634 57.023 56.400 -0.019 0.000 0.803 66 E CB -0.351 29.332 29.700 -0.028 0.000 0.755 66 E HN 0.162 nan 8.360 nan 0.000 0.453 67 M N 0.460 120.011 119.600 -0.081 0.000 2.149 67 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 67 M C 2.164 178.307 176.300 -0.262 0.000 1.064 67 M CA 1.290 56.466 55.300 -0.207 0.000 1.102 67 M CB -0.260 32.204 32.600 -0.226 0.000 1.369 67 M HN 0.105 nan 8.290 nan 0.000 0.408 68 M N 0.296 119.853 119.600 -0.071 0.000 2.086 68 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 68 M C 1.714 178.063 176.300 0.081 0.000 1.067 68 M CA 1.973 57.304 55.300 0.053 0.000 1.116 68 M CB -0.512 32.214 32.600 0.210 0.000 1.348 68 M HN 0.261 nan 8.290 nan 0.000 0.407 69 K N -0.607 119.838 120.400 0.075 0.000 2.113 69 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 69 K C 2.275 178.914 176.600 0.066 0.000 1.047 69 K CA 1.775 58.122 56.287 0.101 0.000 0.928 69 K CB -0.489 32.041 32.500 0.050 0.000 0.716 69 K HN 0.450 nan 8.250 nan 0.000 0.446 70 R N 1.147 121.630 120.500 -0.028 0.000 2.073 70 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 70 R C 2.313 178.568 176.300 -0.075 0.000 1.134 70 R CA 1.421 57.481 56.100 -0.066 0.000 0.952 70 R CB -0.301 29.917 30.300 -0.136 0.000 0.850 70 R HN 0.198 nan 8.270 nan 0.000 0.433 71 A N 1.049 123.773 122.820 -0.160 0.000 1.986 71 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 71 A C 2.028 179.692 177.584 0.133 0.000 1.171 71 A CA 1.326 53.300 52.037 -0.107 0.000 0.640 71 A CB -0.427 18.380 19.000 -0.322 0.000 0.811 71 A HN 0.397 nan 8.150 nan 0.000 0.451 72 L N -1.269 120.053 121.223 0.166 0.000 2.592 72 L HA 0.120 4.460 4.340 -0.000 0.000 0.227 72 L C 0.919 177.854 176.870 0.108 0.000 1.127 72 L CA -0.114 54.814 54.840 0.146 0.000 0.884 72 L CB -0.144 42.078 42.059 0.272 0.000 1.065 72 L HN 0.429 nan 8.230 nan 0.000 0.457 73 Q N -0.602 119.277 119.800 0.131 0.000 2.297 73 Q HA 0.289 4.629 4.340 -0.000 0.000 0.268 73 Q C -0.822 175.220 176.000 0.070 0.000 1.045 73 Q CA -0.669 55.211 55.803 0.128 0.000 0.861 73 Q CB 0.958 29.789 28.738 0.155 0.000 1.344 73 Q HN -0.001 nan 8.270 nan 0.000 0.452 74 Y N 0.663 121.047 120.300 0.139 0.000 2.861 74 Y HA 0.208 4.758 4.550 0.000 0.000 0.344 74 Y C 0.789 176.571 175.900 -0.198 0.000 1.272 74 Y CA 1.264 59.410 58.100 0.076 0.000 1.502 74 Y CB 0.410 38.949 38.460 0.132 0.000 1.333 74 Y HN 0.695 nan 8.280 nan 0.000 0.634 75 S N 0.642 116.069 115.700 -0.456 0.000 2.688 75 S HA 0.687 5.157 4.470 -0.000 0.000 0.275 75 S C -3.198 171.198 174.600 -0.340 0.000 1.175 75 S CA -1.902 56.078 58.200 -0.366 0.000 0.818 75 S CB 1.742 64.739 63.200 -0.339 0.000 1.157 75 S HN 0.219 nan 8.310 nan 0.000 0.482 76 P HA 0.308 nan 4.420 nan 0.000 0.268 76 P C 0.512 177.813 177.300 0.002 0.000 1.205 76 P CA -0.071 62.994 63.100 -0.059 0.000 0.771 76 P CB 0.425 32.105 31.700 -0.033 0.000 0.858 77 S N 2.451 118.186 115.700 0.059 0.000 2.387 77 S HA -0.220 4.250 4.470 -0.000 0.000 0.230 77 S C 1.783 176.438 174.600 0.092 0.000 1.035 77 S CA 1.784 60.052 58.200 0.113 0.000 1.014 77 S CB -0.696 62.551 63.200 0.079 0.000 0.836 77 S HN 0.650 nan 8.310 nan 0.000 0.466 78 A N 0.477 123.329 122.820 0.054 0.000 2.208 78 A HA 0.522 4.842 4.320 -0.000 0.000 0.209 78 A C 1.045 178.659 177.584 0.049 0.000 1.161 78 A CA 0.736 52.801 52.037 0.046 0.000 0.782 78 A CB -0.564 18.452 19.000 0.028 0.000 0.816 78 A HN 0.855 nan 8.150 nan 0.000 0.477 79 G N -0.784 108.044 108.800 0.047 0.000 2.459 79 G HA2 0.158 4.118 3.960 -0.000 0.000 0.685 79 G HA3 0.158 4.118 3.960 -0.000 0.000 0.685 79 G C -0.246 174.657 174.900 0.005 0.000 1.303 79 G CA -0.548 44.577 45.100 0.041 0.000 0.907 79 G HN 1.171 nan 8.290 nan 0.000 0.632 80 I N -0.580 119.985 120.570 -0.008 0.000 2.754 80 I HA 0.438 4.608 4.170 -0.000 0.000 0.285 80 I C -0.815 175.295 176.117 -0.012 0.000 1.166 80 I CA -1.665 59.616 61.300 -0.031 0.000 1.417 80 I CB 1.036 39.004 38.000 -0.054 0.000 1.382 80 I HN 0.323 nan 8.210 nan 0.000 0.588 81 P HA -0.216 nan 4.420 nan 0.000 0.216 81 P C 1.192 178.507 177.300 0.024 0.000 1.153 81 P CA 1.548 64.648 63.100 -0.000 0.000 0.848 81 P CB -0.192 31.500 31.700 -0.012 0.000 0.787 82 E N 0.123 120.329 120.200 0.010 0.000 2.153 82 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 82 E C 2.037 178.757 176.600 0.201 0.000 0.988 82 E CA 0.940 57.379 56.400 0.065 0.000 0.811 82 E CB -1.280 28.364 29.700 -0.094 0.000 0.746 82 E HN 0.190 nan 8.360 nan 0.000 0.466 83 L N 0.838 122.125 121.223 0.106 0.000 2.095 83 L HA 0.033 4.373 4.340 -0.000 0.000 0.204 83 L C 2.493 179.413 176.870 0.083 0.000 1.080 83 L CA 1.113 56.013 54.840 0.101 0.000 0.759 83 L CB -0.518 41.559 42.059 0.029 0.000 0.914 83 L HN 0.060 nan 8.230 nan 0.000 0.439 84 L N -0.603 120.648 121.223 0.047 0.000 2.013 84 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 84 L C 2.670 179.557 176.870 0.027 0.000 1.073 84 L CA 1.834 56.685 54.840 0.018 0.000 0.753 84 L CB -0.798 41.270 42.059 0.016 0.000 0.890 84 L HN 0.514 nan 8.230 nan 0.000 0.432 85 S N -1.758 113.983 115.700 0.067 0.000 2.387 85 S HA -0.232 4.238 4.470 -0.000 0.000 0.226 85 S C 1.666 176.294 174.600 0.047 0.000 1.026 85 S CA 0.537 58.769 58.200 0.053 0.000 0.972 85 S CB -0.899 62.343 63.200 0.070 0.000 0.814 85 S HN 0.545 nan 8.310 nan 0.000 0.477 86 W N 1.493 122.750 121.300 -0.071 0.000 2.358 86 W HA 0.018 4.678 4.660 -0.000 0.000 0.303 86 W C 1.776 178.166 176.519 -0.216 0.000 1.208 86 W CA 0.787 58.020 57.345 -0.186 0.000 1.274 86 W CB -0.235 29.034 29.460 -0.319 0.000 1.138 86 W HN 0.210 nan 8.180 nan 0.000 0.515 87 L N 0.864 122.135 121.223 0.080 0.000 2.072 87 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 87 L C 2.234 178.994 176.870 -0.182 0.000 1.079 87 L CA 1.777 56.522 54.840 -0.158 0.000 0.752 87 L CB -1.537 40.267 42.059 -0.425 0.000 0.906 87 L HN -0.029 nan 8.230 nan 0.000 0.436 88 K N -0.950 119.379 120.400 -0.118 0.000 2.057 88 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 88 K C 2.112 178.632 176.600 -0.132 0.000 1.049 88 K CA 1.338 57.570 56.287 -0.093 0.000 0.931 88 K CB -0.059 32.405 32.500 -0.060 0.000 0.714 88 K HN 0.140 nan 8.250 nan 0.000 0.440 89 Q N 1.111 120.793 119.800 -0.197 0.000 2.172 89 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 89 Q C 1.850 177.660 176.000 -0.316 0.000 0.964 89 Q CA 0.961 56.614 55.803 -0.250 0.000 0.855 89 Q CB -0.143 28.409 28.738 -0.311 0.000 0.918 89 Q HN 0.199 nan 8.270 nan 0.000 0.444 90 L N 0.114 121.082 121.223 -0.424 0.000 2.012 90 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 90 L C 2.044 178.825 176.870 -0.149 0.000 1.073 90 L CA 1.843 56.471 54.840 -0.353 0.000 0.748 90 L CB -0.492 41.355 42.059 -0.353 0.000 0.891 90 L HN 0.226 nan 8.230 nan 0.000 0.431 91 Q N -0.309 119.452 119.800 -0.064 0.000 2.084 91 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 91 Q C 2.380 178.368 176.000 -0.021 0.000 0.978 91 Q CA 2.112 57.951 55.803 0.060 0.000 0.844 91 Q CB -0.416 28.390 28.738 0.113 0.000 0.898 91 Q HN 0.610 nan 8.270 nan 0.000 0.426 92 I N 0.990 121.514 120.570 -0.076 0.000 2.208 92 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 92 I C 2.301 178.358 176.117 -0.100 0.000 1.097 92 I CA 1.241 62.487 61.300 -0.090 0.000 1.363 92 I CB -0.335 37.603 38.000 -0.102 0.000 1.051 92 I HN 0.169 nan 8.210 nan 0.000 0.413 93 K N 0.263 120.585 120.400 -0.130 0.000 2.057 93 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 93 K C 2.012 178.534 176.600 -0.129 0.000 1.050 93 K CA 1.197 57.413 56.287 -0.118 0.000 0.935 93 K CB -0.205 32.217 32.500 -0.130 0.000 0.715 93 K HN 0.198 nan 8.250 nan 0.000 0.439 94 L N -0.185 120.900 121.223 -0.230 0.000 2.270 94 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 94 L C 1.205 177.787 176.870 -0.480 0.000 1.104 94 L CA 1.817 56.423 54.840 -0.391 0.000 0.804 94 L CB -0.479 41.194 42.059 -0.644 0.000 0.937 94 L HN 0.272 nan 8.230 nan 0.000 0.450 95 H N -3.413 115.633 119.070 -0.040 0.000 3.622 95 H HA 0.191 4.747 4.556 0.000 0.000 0.259 95 H C 0.442 175.722 175.328 -0.078 0.000 1.145 95 H CA -0.206 55.798 56.048 -0.074 0.000 1.178 95 H CB 0.207 29.898 29.762 -0.120 0.000 1.542 95 H HN 0.110 nan 8.280 nan 0.000 0.586 96 N N 2.321 121.020 118.700 -0.002 0.000 2.725 96 N HA -0.110 4.630 4.740 -0.000 0.000 0.280 96 N C -2.633 172.844 175.510 -0.054 0.000 1.017 96 N CA -0.574 52.453 53.050 -0.038 0.000 0.813 96 N CB 0.073 38.538 38.487 -0.036 0.000 0.931 96 N HN 0.197 nan 8.380 nan 0.000 0.570 97 P HA 0.096 nan 4.420 nan 0.000 0.267 97 P C -1.997 175.194 177.300 -0.182 0.000 1.205 97 P CA -0.981 62.048 63.100 -0.117 0.000 0.765 97 P CB 0.501 32.123 31.700 -0.130 0.000 0.828 98 P HA -0.111 nan 4.420 nan 0.000 0.228 98 P C 1.194 178.207 177.300 -0.478 0.000 1.151 98 P CA 1.381 64.364 63.100 -0.195 0.000 0.770 98 P CB -0.002 31.636 31.700 -0.103 0.000 0.786 99 T N -1.131 113.062 114.554 -0.602 0.000 3.107 99 T HA 0.069 4.419 4.350 -0.000 0.000 0.249 99 T C 1.423 175.751 174.700 -0.620 0.000 1.096 99 T CA -0.133 61.351 62.100 -1.027 0.000 1.012 99 T CB -0.863 67.661 68.868 -0.574 0.000 0.977 99 T HN 0.081 nan 8.240 nan 0.000 0.527 100 I N -1.473 118.831 120.570 -0.443 0.000 2.335 100 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 100 I C 1.385 177.266 176.117 -0.393 0.000 1.129 100 I CA 1.720 62.767 61.300 -0.421 0.000 1.402 100 I CB -0.497 37.194 38.000 -0.514 0.000 1.069 100 I HN 0.303 nan 8.210 nan 0.000 0.424 101 H N -1.445 117.622 119.070 -0.005 0.000 2.674 101 H HA 0.367 4.923 4.556 -0.000 0.000 0.274 101 H C -0.355 175.110 175.328 0.228 0.000 1.121 101 H CA -0.552 55.550 56.048 0.090 0.000 1.132 101 H CB 0.134 29.941 29.762 0.075 0.000 1.606 101 H HN 0.270 nan 8.280 nan 0.000 0.558 102 Y N 1.804 122.156 120.300 0.087 0.000 2.550 102 Y HA 0.034 4.584 4.550 0.000 0.000 0.343 102 Y C -1.807 174.136 175.900 0.070 0.000 1.245 102 Y CA -2.511 55.632 58.100 0.072 0.000 1.462 102 Y CB 0.244 38.741 38.460 0.061 0.000 1.340 102 Y HN 0.070 nan 8.280 nan 0.000 0.604 103 P HA -0.053 nan 4.420 nan 0.000 0.268 103 P C -2.096 175.290 177.300 0.144 0.000 1.208 103 P CA -0.810 62.370 63.100 0.132 0.000 0.777 103 P CB 0.181 31.929 31.700 0.081 0.000 0.875 104 P HA -0.240 nan 4.420 nan 0.000 0.216 104 P C 1.480 178.841 177.300 0.102 0.000 1.157 104 P CA 2.106 65.256 63.100 0.083 0.000 0.880 104 P CB -0.393 31.339 31.700 0.054 0.000 0.791 105 S N -1.258 114.508 115.700 0.109 0.000 2.474 105 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 105 S C 1.566 176.305 174.600 0.233 0.000 0.997 105 S CA 0.855 59.140 58.200 0.142 0.000 0.949 105 S CB -1.048 62.216 63.200 0.106 0.000 0.766 105 S HN 0.280 nan 8.310 nan 0.000 0.517 106 Q N 0.682 120.614 119.800 0.219 0.000 2.222 106 Q HA 0.389 4.729 4.340 -0.000 0.000 0.206 106 Q C 0.753 177.001 176.000 0.413 0.000 0.877 106 Q CA 0.118 56.080 55.803 0.265 0.000 0.958 106 Q CB 0.405 29.213 28.738 0.117 0.000 1.075 106 Q HN 0.735 nan 8.270 nan 0.000 0.483 107 G N 1.653 110.666 108.800 0.355 0.000 2.142 107 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.225 107 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.225 107 G C -0.088 174.890 174.900 0.130 0.000 1.015 107 G CA -0.093 45.149 45.100 0.237 0.000 0.716 107 G HN 0.412 nan 8.290 nan 0.000 0.508 108 Q N -0.325 119.551 119.800 0.127 0.000 2.310 108 Q HA 0.271 4.611 4.340 -0.000 0.000 0.315 108 Q C 1.181 177.155 176.000 -0.043 0.000 1.081 108 Q CA -0.007 55.821 55.803 0.041 0.000 0.981 108 Q CB 0.304 29.083 28.738 0.070 0.000 1.184 108 Q HN 0.567 nan 8.270 nan 0.000 0.389 109 M N 3.648 123.186 119.600 -0.103 0.000 2.260 109 M HA -0.033 4.447 4.480 -0.000 0.000 0.348 109 M C -0.848 175.412 176.300 -0.066 0.000 1.342 109 M CA 0.766 56.006 55.300 -0.100 0.000 1.040 109 M CB 0.354 32.878 32.600 -0.126 0.000 1.810 109 M HN 0.661 nan 8.290 nan 0.000 0.453 110 D N 4.162 124.528 120.400 -0.057 0.000 2.523 110 D HA 0.694 5.334 4.640 -0.000 0.000 0.236 110 D C -1.901 174.384 176.300 -0.025 0.000 1.094 110 D CA -0.419 53.558 54.000 -0.038 0.000 0.942 110 D CB 2.071 42.847 40.800 -0.039 0.000 1.447 110 D HN 0.714 nan 8.370 nan 0.000 0.479 111 L N 1.284 122.504 121.223 -0.006 0.000 2.482 111 L HA 0.595 4.935 4.340 -0.000 0.000 0.263 111 L C -1.394 175.494 176.870 0.030 0.000 0.957 111 L CA -0.475 54.380 54.840 0.025 0.000 0.836 111 L CB 1.333 43.412 42.059 0.034 0.000 1.324 111 L HN 0.746 nan 8.230 nan 0.000 0.406 112 C N 2.185 121.516 119.300 0.051 0.000 2.626 112 C HA 0.782 5.242 4.460 -0.000 0.000 0.310 112 C C 0.044 175.093 174.990 0.099 0.000 1.191 112 C CA -1.001 58.050 59.018 0.054 0.000 1.517 112 C CB 0.753 28.512 27.740 0.033 0.000 2.102 112 C HN 0.528 nan 8.230 nan 0.000 0.479 113 V N 3.493 123.465 119.914 0.097 0.000 2.637 113 V HA 0.532 4.652 4.120 -0.000 0.000 0.296 113 V C 1.032 177.188 176.094 0.103 0.000 1.046 113 V CA 0.785 63.163 62.300 0.131 0.000 1.066 113 V CB 1.098 32.988 31.823 0.112 0.000 0.968 113 V HN 1.168 nan 8.190 nan 0.000 0.483 114 T N 0.638 115.253 114.554 0.102 0.000 2.907 114 T HA 0.416 4.766 4.350 -0.000 0.000 0.290 114 T C -0.085 174.652 174.700 0.061 0.000 1.066 114 T CA -0.746 61.386 62.100 0.054 0.000 1.012 114 T CB 1.695 70.567 68.868 0.007 0.000 1.184 114 T HN 0.391 nan 8.240 nan 0.000 0.522 115 S N 1.379 117.100 115.700 0.034 0.000 4.087 115 S HA 0.594 5.064 4.470 -0.000 0.000 0.213 115 S C 0.775 175.394 174.600 0.031 0.000 1.415 115 S CA 0.098 58.320 58.200 0.038 0.000 0.893 115 S CB -0.947 62.262 63.200 0.015 0.000 1.529 115 S HN 1.465 nan 8.310 nan 0.000 0.457 116 G N 1.716 110.545 108.800 0.048 0.000 2.690 116 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 116 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 116 G C 0.667 175.559 174.900 -0.013 0.000 1.277 116 G CA -0.350 44.767 45.100 0.030 0.000 0.799 116 G HN 0.768 nan 8.290 nan 0.000 0.613 117 S N -0.267 115.401 115.700 -0.054 0.000 2.402 117 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 117 S C 2.073 176.620 174.600 -0.088 0.000 1.021 117 S CA 1.994 60.126 58.200 -0.114 0.000 0.974 117 S CB -0.099 62.990 63.200 -0.186 0.000 0.800 117 S HN 1.175 nan 8.310 nan 0.000 0.484 118 Q N 1.212 120.989 119.800 -0.037 0.000 2.224 118 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 118 Q C 2.281 178.255 176.000 -0.043 0.000 0.970 118 Q CA 1.530 57.333 55.803 0.000 0.000 0.865 118 Q CB -0.400 28.382 28.738 0.074 0.000 0.922 118 Q HN 0.811 nan 8.270 nan 0.000 0.445 119 Q N -1.016 118.754 119.800 -0.049 0.000 2.046 119 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 119 Q C 1.867 177.798 176.000 -0.115 0.000 0.975 119 Q CA 1.440 57.201 55.803 -0.071 0.000 0.836 119 Q CB -0.445 28.261 28.738 -0.053 0.000 0.896 119 Q HN 0.548 nan 8.270 nan 0.000 0.428 120 G N 1.433 110.163 108.800 -0.117 0.000 2.491 120 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 120 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 120 G C 1.423 176.174 174.900 -0.249 0.000 1.180 120 G CA 1.089 46.097 45.100 -0.153 0.000 0.774 120 G HN 0.326 nan 8.290 nan 0.000 0.562 121 L N -0.258 120.785 121.223 -0.300 0.000 2.012 121 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 121 L C 3.059 179.457 176.870 -0.787 0.000 1.073 121 L CA 1.277 55.769 54.840 -0.580 0.000 0.748 121 L CB -0.710 41.099 42.059 -0.416 0.000 0.891 121 L HN 0.426 nan 8.230 nan 0.000 0.431 122 C N 0.381 119.469 119.300 -0.353 0.000 2.413 122 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 122 C C 2.956 177.880 174.990 -0.110 0.000 1.236 122 C CA 0.895 59.830 59.018 -0.139 0.000 1.735 122 C CB -0.654 27.069 27.740 -0.028 0.000 2.031 122 C HN 0.375 nan 8.230 nan 0.000 0.474 123 K N 0.553 120.866 120.400 -0.145 0.000 2.147 123 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 123 K C 1.971 178.556 176.600 -0.025 0.000 1.049 123 K CA 1.041 57.291 56.287 -0.062 0.000 0.936 123 K CB -0.881 31.560 32.500 -0.099 0.000 0.722 123 K HN 0.510 nan 8.250 nan 0.000 0.446 124 V N 1.010 120.818 119.914 -0.178 0.000 2.270 124 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 124 V C 2.155 178.228 176.094 -0.034 0.000 1.043 124 V CA 1.597 63.787 62.300 -0.184 0.000 1.014 124 V CB -0.588 31.021 31.823 -0.357 0.000 0.645 124 V HN 0.157 nan 8.190 nan 0.000 0.447 125 F N 0.456 120.383 119.950 -0.038 0.000 2.091 125 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 125 F C 2.564 178.423 175.800 0.098 0.000 1.103 125 F CA 1.692 59.718 58.000 0.042 0.000 1.228 125 F CB -0.383 38.640 39.000 0.039 0.000 0.984 125 F HN 0.213 nan 8.300 nan 0.000 0.477 126 E N 0.233 120.592 120.200 0.266 0.000 2.085 126 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 126 E C 2.107 178.807 176.600 0.168 0.000 0.994 126 E CA 1.435 57.959 56.400 0.207 0.000 0.801 126 E CB -0.274 29.570 29.700 0.240 0.000 0.743 126 E HN 0.448 nan 8.360 nan 0.000 0.453 127 M N 0.399 120.096 119.600 0.160 0.000 2.108 127 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 127 M C 1.852 178.245 176.300 0.154 0.000 1.066 127 M CA 1.680 57.057 55.300 0.129 0.000 1.107 127 M CB 0.081 32.744 32.600 0.106 0.000 1.356 127 M HN 0.091 nan 8.290 nan 0.000 0.406 128 I N -0.581 120.118 120.570 0.215 0.000 2.628 128 I HA 0.020 4.190 4.170 -0.000 0.000 0.255 128 I C 0.545 176.796 176.117 0.223 0.000 1.119 128 I CA 0.155 61.620 61.300 0.275 0.000 1.448 128 I CB 0.238 38.489 38.000 0.419 0.000 1.133 128 I HN 0.089 nan 8.210 nan 0.000 0.438 129 I N 2.617 123.318 120.570 0.217 0.000 2.352 129 I HA 0.084 4.254 4.170 -0.000 0.000 0.290 129 I C -0.388 175.773 176.117 0.073 0.000 1.036 129 I CA -0.157 61.229 61.300 0.144 0.000 1.336 129 I CB 0.216 38.305 38.000 0.148 0.000 1.407 129 I HN 0.180 nan 8.210 nan 0.000 0.497 130 N N 8.066 126.787 118.700 0.035 0.000 2.487 130 N HA 0.373 5.113 4.740 -0.000 0.000 0.292 130 N C -2.492 173.012 175.510 -0.010 0.000 1.108 130 N CA -1.628 51.428 53.050 0.009 0.000 0.956 130 N CB 0.852 39.339 38.487 -0.001 0.000 1.176 130 N HN 0.187 nan 8.380 nan 0.000 0.484 131 P HA 0.021 nan 4.420 nan 0.000 0.264 131 P C 0.875 178.158 177.300 -0.029 0.000 1.183 131 P CA 0.813 63.895 63.100 -0.029 0.000 0.763 131 P CB 0.298 31.982 31.700 -0.028 0.000 0.807 132 G N 1.593 110.372 108.800 -0.035 0.000 2.179 132 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 132 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 132 G C -0.019 174.859 174.900 -0.035 0.000 0.977 132 G CA -0.175 44.909 45.100 -0.027 0.000 0.641 132 G HN 0.506 nan 8.290 nan 0.000 0.533 133 D N 1.208 121.575 120.400 -0.055 0.000 2.414 133 D HA 0.296 4.936 4.640 -0.000 0.000 0.242 133 D C 0.533 176.758 176.300 -0.125 0.000 1.129 133 D CA 0.053 54.001 54.000 -0.086 0.000 0.885 133 D CB 0.379 41.127 40.800 -0.085 0.000 1.198 133 D HN 0.212 nan 8.370 nan 0.000 0.437 134 N N 0.766 119.375 118.700 -0.152 0.000 2.455 134 N HA 0.319 5.059 4.740 -0.000 0.000 0.280 134 N C -0.429 174.886 175.510 -0.325 0.000 1.055 134 N CA -0.393 52.554 53.050 -0.172 0.000 0.961 134 N CB 1.654 40.089 38.487 -0.087 0.000 1.121 134 N HN 0.196 nan 8.380 nan 0.000 0.476 135 V N -0.041 119.647 119.914 -0.377 0.000 2.914 135 V HA 0.670 4.790 4.120 -0.000 0.000 0.314 135 V C -0.641 175.226 176.094 -0.378 0.000 1.084 135 V CA -0.984 60.952 62.300 -0.607 0.000 0.963 135 V CB 1.909 33.130 31.823 -1.003 0.000 1.025 135 V HN 0.375 nan 8.190 nan 0.000 0.432 136 L N 4.938 125.948 121.223 -0.355 0.000 2.322 136 L HA 0.812 5.152 4.340 -0.000 0.000 0.281 136 L C -0.448 176.398 176.870 -0.041 0.000 1.014 136 L CA -0.560 54.159 54.840 -0.202 0.000 0.815 136 L CB 1.612 43.488 42.059 -0.306 0.000 1.247 136 L HN 0.859 nan 8.230 nan 0.000 0.421 137 L N 0.468 121.696 121.223 0.009 0.000 2.671 137 L HA 0.627 4.967 4.340 -0.000 0.000 0.259 137 L C -1.910 175.006 176.870 0.076 0.000 1.021 137 L CA -0.883 54.021 54.840 0.108 0.000 0.871 137 L CB 2.553 44.756 42.059 0.239 0.000 1.472 137 L HN 0.560 nan 8.230 nan 0.000 0.410 138 D N 0.393 120.848 120.400 0.092 0.000 2.249 138 D HA 0.321 4.961 4.640 -0.000 0.000 0.246 138 D C -0.700 175.620 176.300 0.034 0.000 1.114 138 D CA -0.174 53.861 54.000 0.057 0.000 0.854 138 D CB 2.028 42.854 40.800 0.043 0.000 1.132 138 D HN 0.625 nan 8.370 nan 0.000 0.461 139 E N 2.097 122.310 120.200 0.022 0.000 2.231 139 E HA 0.345 4.695 4.350 -0.000 0.000 0.277 139 E C -2.206 174.338 176.600 -0.094 0.000 0.999 139 E CA -1.923 54.440 56.400 -0.061 0.000 0.827 139 E CB 1.365 31.094 29.700 0.048 0.000 1.101 139 E HN 0.338 nan 8.360 nan 0.000 0.393 140 P HA 0.169 nan 4.420 nan 0.000 0.275 140 P C -1.425 175.672 177.300 -0.339 0.000 1.228 140 P CA -0.243 62.477 63.100 -0.635 0.000 0.786 140 P CB 1.007 32.170 31.700 -0.895 0.000 0.927 141 A N 2.278 124.992 122.820 -0.177 0.000 2.469 141 A HA 0.469 4.789 4.320 -0.000 0.000 0.299 141 A C -1.281 176.426 177.584 0.204 0.000 1.098 141 A CA -0.876 51.187 52.037 0.042 0.000 0.737 141 A CB 0.641 19.680 19.000 0.065 0.000 1.312 141 A HN 0.584 nan 8.150 nan 0.000 0.414 142 Y N 1.972 122.373 120.300 0.168 0.000 2.721 142 Y HA 0.122 4.672 4.550 -0.000 0.000 0.329 142 Y C 1.603 177.594 175.900 0.152 0.000 1.211 142 Y CA 0.786 59.022 58.100 0.227 0.000 1.512 142 Y CB 0.851 39.454 38.460 0.238 0.000 1.249 142 Y HN 0.819 nan 8.280 nan 0.000 0.549 143 S N 3.017 118.535 115.700 -0.302 0.000 2.402 143 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 143 S C 2.019 176.226 174.600 -0.655 0.000 1.021 143 S CA 0.814 58.719 58.200 -0.491 0.000 0.974 143 S CB -0.874 61.982 63.200 -0.573 0.000 0.800 143 S HN 0.963 nan 8.310 nan 0.000 0.484 144 G N 2.043 110.091 108.800 -1.253 0.000 2.450 144 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 144 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 144 G C 1.684 176.330 174.900 -0.423 0.000 1.130 144 G CA 1.611 46.231 45.100 -0.800 0.000 0.760 144 G HN 0.726 nan 8.290 nan 0.000 0.557 145 T N -0.189 114.102 114.554 -0.439 0.000 2.812 145 T HA 0.062 4.412 4.350 -0.000 0.000 0.264 145 T C 2.433 176.994 174.700 -0.231 0.000 1.042 145 T CA 0.867 62.888 62.100 -0.130 0.000 1.140 145 T CB -0.330 68.432 68.868 -0.176 0.000 0.870 145 T HN 0.186 nan 8.240 nan 0.000 0.445 146 L N 0.646 121.724 121.223 -0.242 0.000 2.042 146 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 146 L C 3.299 180.091 176.870 -0.129 0.000 1.076 146 L CA 1.335 56.065 54.840 -0.184 0.000 0.749 146 L CB -0.698 41.266 42.059 -0.158 0.000 0.893 146 L HN 0.260 nan 8.230 nan 0.000 0.432 147 Q N -0.833 118.881 119.800 -0.144 0.000 2.167 147 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 147 Q C 2.446 178.439 176.000 -0.011 0.000 0.970 147 Q CA 1.546 57.306 55.803 -0.073 0.000 0.855 147 Q CB -0.314 28.363 28.738 -0.102 0.000 0.911 147 Q HN 0.395 nan 8.270 nan 0.000 0.438 148 S N 0.383 116.068 115.700 -0.026 0.000 2.383 148 S HA -0.025 4.445 4.470 -0.000 0.000 0.227 148 S C 1.938 176.536 174.600 -0.003 0.000 1.026 148 S CA 0.602 58.828 58.200 0.043 0.000 0.981 148 S CB 0.014 63.315 63.200 0.168 0.000 0.818 148 S HN 0.281 nan 8.310 nan 0.000 0.472 149 L N 0.637 121.788 121.223 -0.120 0.000 2.209 149 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 149 L C 2.558 179.382 176.870 -0.077 0.000 1.094 149 L CA 1.125 55.856 54.840 -0.180 0.000 0.790 149 L CB -0.722 41.146 42.059 -0.319 0.000 0.932 149 L HN 0.502 nan 8.230 nan 0.000 0.447 150 H N 1.762 120.768 119.070 -0.107 0.000 2.289 150 H HA -0.160 4.396 4.556 -0.000 0.000 0.296 150 H C -0.543 174.757 175.328 -0.047 0.000 1.091 150 H CA 2.095 58.099 56.048 -0.073 0.000 1.274 150 H CB -0.912 28.810 29.762 -0.067 0.000 1.364 150 H HN 0.186 nan 8.280 nan 0.000 0.490 151 P HA -0.069 nan 4.420 nan 0.000 0.226 151 P C 1.466 178.668 177.300 -0.162 0.000 1.153 151 P CA 0.393 63.342 63.100 -0.253 0.000 0.777 151 P CB -0.036 31.618 31.700 -0.077 0.000 0.794 152 L N -1.255 119.905 121.223 -0.106 0.000 2.551 152 L HA 0.182 4.522 4.340 -0.000 0.000 0.228 152 L C 1.726 178.550 176.870 -0.077 0.000 1.153 152 L CA 1.265 56.070 54.840 -0.058 0.000 0.851 152 L CB -1.845 40.206 42.059 -0.014 0.000 0.959 152 L HN 0.159 nan 8.230 nan 0.000 0.451 153 G N -0.823 107.902 108.800 -0.125 0.000 2.179 153 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 153 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 153 G C 0.621 175.474 174.900 -0.078 0.000 1.010 153 G CA 0.393 45.431 45.100 -0.103 0.000 0.736 153 G HN 0.535 nan 8.290 nan 0.000 0.513 154 C N -0.652 118.596 119.300 -0.088 0.000 2.520 154 C HA 0.721 5.181 4.460 -0.000 0.000 0.376 154 C C 0.532 175.469 174.990 -0.089 0.000 1.268 154 C CA -1.750 57.208 59.018 -0.099 0.000 2.414 154 C CB 0.897 28.550 27.740 -0.145 0.000 2.521 154 C HN 0.423 nan 8.230 nan 0.000 0.618 155 N N 1.775 120.423 118.700 -0.086 0.000 2.420 155 N HA 0.365 5.105 4.740 -0.000 0.000 0.249 155 N C -0.602 174.851 175.510 -0.095 0.000 1.033 155 N CA 0.082 53.093 53.050 -0.064 0.000 0.944 155 N CB 0.879 39.346 38.487 -0.033 0.000 1.113 155 N HN 0.671 nan 8.380 nan 0.000 0.502 156 I N 3.377 123.898 120.570 -0.083 0.000 2.352 156 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 156 I C 0.447 176.531 176.117 -0.056 0.000 1.036 156 I CA -0.296 60.947 61.300 -0.096 0.000 1.336 156 I CB 0.658 38.611 38.000 -0.078 0.000 1.407 156 I HN 0.234 nan 8.210 nan 0.000 0.497 157 I N 6.224 126.755 120.570 -0.066 0.000 2.321 157 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 157 I C 0.141 176.246 176.117 -0.020 0.000 0.998 157 I CA -0.567 60.714 61.300 -0.031 0.000 1.227 157 I CB 1.160 39.145 38.000 -0.026 0.000 1.368 157 I HN 0.525 nan 8.210 nan 0.000 0.466 158 N N 5.910 124.615 118.700 0.009 0.000 2.475 158 N HA 0.176 4.916 4.740 -0.000 0.000 0.267 158 N C -0.865 174.661 175.510 0.028 0.000 1.169 158 N CA -0.055 53.014 53.050 0.031 0.000 0.947 158 N CB 0.920 39.444 38.487 0.061 0.000 1.061 158 N HN 0.263 nan 8.380 nan 0.000 0.466 159 V N 2.538 122.470 119.914 0.029 0.000 2.481 159 V HA 0.557 4.677 4.120 -0.000 0.000 0.286 159 V C 0.666 176.790 176.094 0.050 0.000 1.042 159 V CA -1.157 61.162 62.300 0.031 0.000 0.928 159 V CB 0.957 32.796 31.823 0.026 0.000 0.986 159 V HN 0.856 nan 8.190 nan 0.000 0.462 160 A N 4.220 127.072 122.820 0.054 0.000 2.498 160 A HA 0.570 4.890 4.320 -0.000 0.000 0.239 160 A C 0.519 178.141 177.584 0.063 0.000 1.068 160 A CA 0.327 52.403 52.037 0.065 0.000 0.766 160 A CB 0.093 19.131 19.000 0.063 0.000 1.003 160 A HN 1.257 nan 8.150 nan 0.000 0.497 161 S N 1.064 116.805 115.700 0.068 0.000 2.569 161 S HA 0.764 5.234 4.470 -0.000 0.000 0.280 161 S C -0.929 173.707 174.600 0.061 0.000 1.111 161 S CA -0.243 57.990 58.200 0.055 0.000 0.887 161 S CB 2.032 65.254 63.200 0.038 0.000 1.095 161 S HN 0.871 nan 8.310 nan 0.000 0.476 162 D N 0.836 121.258 120.400 0.037 0.000 2.961 162 D HA 0.362 5.002 4.640 -0.000 0.000 0.257 162 D C 0.513 176.785 176.300 -0.047 0.000 1.211 162 D CA -0.624 53.391 54.000 0.024 0.000 1.066 162 D CB -0.497 40.316 40.800 0.021 0.000 1.291 162 D HN 0.426 nan 8.370 nan 0.000 0.629 163 E N -0.405 119.689 120.200 -0.178 0.000 2.265 163 E HA 0.004 4.354 4.350 -0.000 0.000 0.196 163 E C 1.026 177.552 176.600 -0.123 0.000 0.996 163 E CA 1.095 57.311 56.400 -0.306 0.000 0.832 163 E CB -0.233 29.141 29.700 -0.542 0.000 0.756 163 E HN 0.214 nan 8.360 nan 0.000 0.491 164 S N -0.221 115.440 115.700 -0.065 0.000 2.614 164 S HA 0.425 4.895 4.470 -0.000 0.000 0.230 164 S C 0.598 175.197 174.600 -0.003 0.000 0.952 164 S CA 0.158 58.343 58.200 -0.025 0.000 0.949 164 S CB 0.251 63.443 63.200 -0.013 0.000 0.786 164 S HN 0.517 nan 8.310 nan 0.000 0.478 165 G N 2.129 110.927 108.800 -0.002 0.000 2.512 165 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.210 165 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.210 165 G C -0.316 174.605 174.900 0.035 0.000 1.295 165 G CA -0.504 44.606 45.100 0.017 0.000 0.934 165 G HN 0.691 nan 8.290 nan 0.000 0.554 166 I N -0.955 119.650 120.570 0.058 0.000 2.754 166 I HA 0.556 4.726 4.170 -0.000 0.000 0.285 166 I C 0.662 176.823 176.117 0.073 0.000 1.166 166 I CA -0.620 60.721 61.300 0.068 0.000 1.417 166 I CB 1.067 39.116 38.000 0.082 0.000 1.382 166 I HN 0.616 nan 8.210 nan 0.000 0.588 167 V N 7.738 127.692 119.914 0.067 0.000 2.368 167 V HA 0.223 4.343 4.120 -0.000 0.000 0.266 167 V C -1.364 174.776 176.094 0.077 0.000 1.045 167 V CA -0.967 61.372 62.300 0.065 0.000 0.899 167 V CB 0.563 32.420 31.823 0.057 0.000 1.006 167 V HN 0.775 nan 8.190 nan 0.000 0.470 168 P HA -0.123 nan 4.420 nan 0.000 0.216 168 P C 1.032 178.387 177.300 0.091 0.000 1.150 168 P CA 1.102 64.264 63.100 0.103 0.000 0.837 168 P CB 0.289 32.053 31.700 0.108 0.000 0.786 169 D N -1.321 119.124 120.400 0.075 0.000 2.178 169 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 169 D C 2.086 178.422 176.300 0.059 0.000 0.980 169 D CA 1.226 55.266 54.000 0.066 0.000 0.842 169 D CB -0.731 40.102 40.800 0.055 0.000 0.948 169 D HN 0.122 nan 8.370 nan 0.000 0.472 170 S N -0.264 115.470 115.700 0.057 0.000 2.371 170 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 170 S C 1.844 176.469 174.600 0.042 0.000 1.029 170 S CA 0.295 58.523 58.200 0.047 0.000 0.978 170 S CB -0.248 62.981 63.200 0.048 0.000 0.833 170 S HN 0.116 nan 8.310 nan 0.000 0.466 171 L N 2.324 123.580 121.223 0.055 0.000 1.971 171 L HA -0.030 4.310 4.340 -0.000 0.000 0.215 171 L C 2.512 179.410 176.870 0.047 0.000 1.072 171 L CA 2.154 57.027 54.840 0.054 0.000 0.758 171 L CB -1.157 40.962 42.059 0.101 0.000 0.889 171 L HN 0.311 nan 8.230 nan 0.000 0.433 172 R N -0.693 119.854 120.500 0.079 0.000 2.112 172 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 172 R C 2.010 178.339 176.300 0.048 0.000 1.137 172 R CA 2.187 58.340 56.100 0.090 0.000 0.944 172 R CB -0.381 29.983 30.300 0.108 0.000 0.857 172 R HN 0.478 nan 8.270 nan 0.000 0.435 173 D N 0.038 120.462 120.400 0.039 0.000 2.084 173 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 173 D C 1.800 178.097 176.300 -0.006 0.000 0.990 173 D CA 1.657 55.670 54.000 0.022 0.000 0.826 173 D CB -0.311 40.502 40.800 0.021 0.000 0.971 173 D HN 0.427 nan 8.370 nan 0.000 0.453 174 I N -1.072 119.492 120.570 -0.010 0.000 2.394 174 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 174 I C 1.917 178.021 176.117 -0.022 0.000 1.136 174 I CA 1.288 62.574 61.300 -0.025 0.000 1.425 174 I CB -0.456 37.540 38.000 -0.007 0.000 1.079 174 I HN -0.082 nan 8.210 nan 0.000 0.425 175 L N 1.307 122.493 121.223 -0.061 0.000 2.275 175 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 175 L C 2.720 179.528 176.870 -0.103 0.000 1.119 175 L CA 1.252 55.985 54.840 -0.179 0.000 0.790 175 L CB -0.760 40.828 42.059 -0.786 0.000 0.919 175 L HN 0.562 nan 8.230 nan 0.000 0.443 176 S N 0.530 116.216 115.700 -0.024 0.000 2.500 176 S HA -0.207 4.263 4.470 -0.000 0.000 0.239 176 S C 2.023 176.623 174.600 0.000 0.000 0.989 176 S CA 0.787 59.032 58.200 0.075 0.000 0.951 176 S CB -0.466 62.770 63.200 0.060 0.000 0.759 176 S HN 0.590 nan 8.310 nan 0.000 0.523 177 R N -0.171 120.225 120.500 -0.174 0.000 2.235 177 R HA 0.045 4.385 4.340 -0.000 0.000 0.213 177 R C -0.281 175.772 176.300 -0.411 0.000 1.059 177 R CA 0.286 56.163 56.100 -0.372 0.000 0.997 177 R CB -0.272 29.674 30.300 -0.589 0.000 0.884 177 R HN 0.576 nan 8.270 nan 0.000 0.462 178 W N 2.552 123.879 121.300 0.044 0.000 2.576 178 W HA 0.419 5.079 4.660 -0.000 0.000 0.360 178 W C -0.327 176.323 176.519 0.219 0.000 1.109 178 W CA -1.247 56.164 57.345 0.111 0.000 1.237 178 W CB 0.657 30.190 29.460 0.122 0.000 1.369 178 W HN -0.228 nan 8.180 nan 0.000 0.609 179 K N 0.505 121.148 120.400 0.405 0.000 2.098 179 K HA 0.387 4.707 4.320 -0.000 0.000 0.258 179 K C -2.224 174.525 176.600 0.249 0.000 0.973 179 K CA -1.558 54.903 56.287 0.291 0.000 0.898 179 K CB 1.393 33.982 32.500 0.150 0.000 1.057 179 K HN -0.025 nan 8.250 nan 0.000 0.447 180 P HA -0.288 nan 4.420 nan 0.000 0.216 180 P C 1.026 178.306 177.300 -0.034 0.000 1.154 180 P CA 1.551 64.534 63.100 -0.196 0.000 0.865 180 P CB 0.091 31.595 31.700 -0.327 0.000 0.789 181 E N -0.793 119.408 120.200 0.002 0.000 2.418 181 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 181 E C 0.843 177.465 176.600 0.037 0.000 1.026 181 E CA 0.932 57.337 56.400 0.008 0.000 0.862 181 E CB -0.949 28.755 29.700 0.006 0.000 0.799 181 E HN 0.254 nan 8.360 nan 0.000 0.518 182 D N 1.881 122.335 120.400 0.089 0.000 2.263 182 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 182 D C 1.800 178.121 176.300 0.035 0.000 0.971 182 D CA 1.355 55.416 54.000 0.101 0.000 0.867 182 D CB -0.108 40.821 40.800 0.216 0.000 0.929 182 D HN 0.379 nan 8.370 nan 0.000 0.492 183 A N 0.813 123.644 122.820 0.019 0.000 2.019 183 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 183 A C 2.005 179.558 177.584 -0.051 0.000 1.164 183 A CA 1.096 53.118 52.037 -0.027 0.000 0.644 183 A CB -0.209 18.797 19.000 0.009 0.000 0.805 183 A HN 0.134 nan 8.150 nan 0.000 0.449 184 K N -0.329 120.053 120.400 -0.031 0.000 2.365 184 K HA -0.006 4.314 4.320 -0.000 0.000 0.197 184 K C 0.305 176.883 176.600 -0.036 0.000 1.042 184 K CA 0.033 56.296 56.287 -0.040 0.000 0.987 184 K CB -0.014 32.470 32.500 -0.027 0.000 0.779 184 K HN 0.338 nan 8.250 nan 0.000 0.484 185 N N 1.727 120.414 118.700 -0.021 0.000 2.401 185 N HA 0.044 4.784 4.740 -0.000 0.000 0.255 185 N C -2.090 173.406 175.510 -0.023 0.000 1.110 185 N CA -1.845 51.200 53.050 -0.009 0.000 0.949 185 N CB 1.272 39.770 38.487 0.020 0.000 1.110 185 N HN -0.207 nan 8.380 nan 0.000 0.490 186 P HA -0.228 nan 4.420 nan 0.000 0.227 186 P C -0.546 176.727 177.300 -0.046 0.000 1.106 186 P CA 1.821 64.898 63.100 -0.039 0.000 0.998 186 P CB 0.205 31.892 31.700 -0.023 0.000 0.769 187 Q N -2.266 117.521 119.800 -0.022 0.000 2.961 187 Q HA 0.135 4.475 4.340 -0.000 0.000 0.223 187 Q C -0.010 176.009 176.000 0.033 0.000 0.859 187 Q CA -0.316 55.477 55.803 -0.017 0.000 0.771 187 Q CB 1.432 30.156 28.738 -0.024 0.000 1.389 187 Q HN 0.134 nan 8.270 nan 0.000 0.460 188 K N 0.899 121.332 120.400 0.056 0.000 2.569 188 K HA -0.005 4.315 4.320 -0.000 0.000 0.193 188 K C 0.132 176.851 176.600 0.198 0.000 1.026 188 K CA -0.147 56.235 56.287 0.159 0.000 1.093 188 K CB 0.006 32.622 32.500 0.193 0.000 0.849 188 K HN 0.504 nan 8.250 nan 0.000 0.509 189 N N 1.884 120.596 118.700 0.020 0.000 2.727 189 N HA -0.137 4.603 4.740 -0.000 0.000 0.249 189 N C -0.734 174.451 175.510 -0.542 0.000 1.048 189 N CA 1.072 54.065 53.050 -0.094 0.000 0.714 189 N CB -1.242 37.292 38.487 0.079 0.000 0.959 189 N HN 0.405 nan 8.380 nan 0.000 0.544 190 T N -2.203 111.953 114.554 -0.663 0.000 2.932 190 T HA 0.373 4.723 4.350 -0.000 0.000 0.312 190 T C -2.219 172.052 174.700 -0.716 0.000 1.071 190 T CA -1.230 60.197 62.100 -1.123 0.000 1.128 190 T CB 0.979 69.493 68.868 -0.589 0.000 0.984 190 T HN 0.009 nan 8.240 nan 0.000 0.549 191 P HA 0.156 nan 4.420 nan 0.000 0.264 191 P C 0.344 177.538 177.300 -0.177 0.000 1.183 191 P CA -0.252 62.586 63.100 -0.437 0.000 0.763 191 P CB 0.453 31.826 31.700 -0.544 0.000 0.807 192 K N 2.828 123.147 120.400 -0.134 0.000 2.103 192 K HA 0.098 4.418 4.320 -0.000 0.000 0.204 192 K C 0.512 177.353 176.600 0.402 0.000 1.052 192 K CA 1.251 57.648 56.287 0.183 0.000 0.945 192 K CB -0.166 32.425 32.500 0.152 0.000 0.722 192 K HN 0.620 nan 8.250 nan 0.000 0.443 193 F N -2.458 117.538 119.950 0.077 0.000 2.678 193 F HA 0.439 4.966 4.527 0.000 0.000 0.308 193 F C -1.564 174.154 175.800 -0.136 0.000 1.118 193 F CA -1.896 56.143 58.000 0.065 0.000 0.959 193 F CB 0.781 39.859 39.000 0.129 0.000 1.305 193 F HN -0.293 nan 8.300 nan 0.000 0.443 194 L N 3.498 124.844 121.223 0.205 0.000 2.295 194 L HA 0.559 4.899 4.340 -0.000 0.000 0.285 194 L C -1.499 175.582 176.870 0.351 0.000 1.035 194 L CA -0.677 54.235 54.840 0.120 0.000 0.806 194 L CB 1.287 43.341 42.059 -0.009 0.000 1.214 194 L HN 0.752 nan 8.230 nan 0.000 0.426 195 Y N 4.257 124.717 120.300 0.267 0.000 2.341 195 Y HA 0.675 5.225 4.550 -0.000 0.000 0.337 195 Y C -0.466 175.503 175.900 0.115 0.000 1.014 195 Y CA -0.099 58.126 58.100 0.209 0.000 1.111 195 Y CB 1.518 40.171 38.460 0.321 0.000 1.194 195 Y HN 0.777 nan 8.280 nan 0.000 0.462 196 T N 4.793 119.003 114.554 -0.572 0.000 2.868 196 T HA 0.505 4.855 4.350 -0.000 0.000 0.306 196 T C -2.018 172.376 174.700 -0.511 0.000 1.224 196 T CA -0.618 61.219 62.100 -0.439 0.000 1.012 196 T CB 1.095 69.918 68.868 -0.076 0.000 1.221 196 T HN 0.418 nan 8.240 nan 0.000 0.499 197 V N 5.702 125.455 119.914 -0.270 0.000 2.294 197 V HA 0.341 4.461 4.120 -0.000 0.000 0.272 197 V C -1.723 174.360 176.094 -0.019 0.000 1.027 197 V CA -1.470 60.754 62.300 -0.126 0.000 0.823 197 V CB 1.246 33.057 31.823 -0.020 0.000 1.030 197 V HN 0.728 nan 8.190 nan 0.000 0.457 198 P HA 0.055 nan 4.420 nan 0.000 0.231 198 P C 0.156 177.469 177.300 0.022 0.000 1.168 198 P CA 0.685 63.815 63.100 0.050 0.000 0.779 198 P CB 0.350 32.094 31.700 0.075 0.000 0.844 199 N N -0.107 118.613 118.700 0.034 0.000 2.399 199 N HA 0.342 5.082 4.740 -0.000 0.000 0.284 199 N C 0.277 175.808 175.510 0.034 0.000 1.025 199 N CA -0.198 52.860 53.050 0.014 0.000 0.885 199 N CB 1.630 40.119 38.487 0.003 0.000 1.339 199 N HN -0.024 nan 8.380 nan 0.000 0.487 200 G N 1.968 110.744 108.800 -0.039 0.000 2.314 200 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.292 200 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.292 200 G C 0.243 175.064 174.900 -0.131 0.000 1.059 200 G CA 0.066 45.089 45.100 -0.128 0.000 0.982 200 G HN 0.809 nan 8.290 nan 0.000 0.505 201 N N -0.192 118.475 118.700 -0.055 0.000 2.225 201 N HA -0.057 4.683 4.740 -0.000 0.000 0.257 201 N C 0.203 175.637 175.510 -0.126 0.000 1.252 201 N CA 0.269 53.286 53.050 -0.055 0.000 0.833 201 N CB 0.172 38.598 38.487 -0.102 0.000 1.068 201 N HN 0.377 nan 8.380 nan 0.000 0.468 202 N N 3.999 122.671 118.700 -0.045 0.000 2.414 202 N HA 0.237 4.977 4.740 -0.000 0.000 0.256 202 N C -2.076 173.187 175.510 -0.410 0.000 1.029 202 N CA -2.172 50.783 53.050 -0.158 0.000 0.948 202 N CB 1.316 39.875 38.487 0.120 0.000 1.102 202 N HN 0.424 nan 8.380 nan 0.000 0.496 203 P HA 0.115 nan 4.420 nan 0.000 0.275 203 P C 0.675 177.478 177.300 -0.829 0.000 1.310 203 P CA 0.272 62.672 63.100 -1.166 0.000 0.904 203 P CB 0.270 30.743 31.700 -2.045 0.000 1.381 204 T N -4.447 109.627 114.554 -0.799 0.000 2.985 204 T HA 0.179 4.529 4.350 -0.000 0.000 0.266 204 T C 1.764 176.428 174.700 -0.059 0.000 1.076 204 T CA 1.299 63.030 62.100 -0.616 0.000 1.135 204 T CB -1.162 67.406 68.868 -0.499 0.000 0.890 204 T HN 0.176 nan 8.240 nan 0.000 0.480 205 G N 1.755 110.537 108.800 -0.029 0.000 2.205 205 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.261 205 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.261 205 G C 0.038 174.985 174.900 0.078 0.000 0.980 205 G CA 0.095 45.252 45.100 0.095 0.000 0.632 205 G HN 0.670 nan 8.290 nan 0.000 0.533 206 N N 0.559 119.275 118.700 0.027 0.000 2.493 206 N HA 0.626 5.366 4.740 -0.000 0.000 0.275 206 N C -0.240 175.268 175.510 -0.003 0.000 1.186 206 N CA 0.300 53.364 53.050 0.023 0.000 0.978 206 N CB 1.443 39.929 38.487 -0.002 0.000 1.184 206 N HN 0.224 nan 8.380 nan 0.000 0.487 207 S N 0.145 115.846 115.700 0.001 0.000 2.570 207 S HA 0.457 4.927 4.470 -0.000 0.000 0.286 207 S C 0.063 174.660 174.600 -0.006 0.000 1.099 207 S CA -0.745 57.451 58.200 -0.006 0.000 0.913 207 S CB 1.604 64.796 63.200 -0.014 0.000 1.085 207 S HN 0.295 nan 8.310 nan 0.000 0.480 208 L N 2.541 123.761 121.223 -0.005 0.000 2.439 208 L HA 0.277 4.617 4.340 -0.000 0.000 0.269 208 L C 1.090 177.940 176.870 -0.034 0.000 1.179 208 L CA -0.177 54.657 54.840 -0.010 0.000 0.828 208 L CB 0.700 42.754 42.059 -0.008 0.000 1.106 208 L HN 0.802 nan 8.230 nan 0.000 0.467 209 T N -1.467 113.070 114.554 -0.028 0.000 2.902 209 T HA 0.083 4.433 4.350 -0.000 0.000 0.280 209 T C 1.086 175.747 174.700 -0.065 0.000 0.992 209 T CA -0.293 61.785 62.100 -0.036 0.000 1.015 209 T CB 1.638 70.495 68.868 -0.019 0.000 1.044 209 T HN 0.584 nan 8.240 nan 0.000 0.520 210 S N 0.493 116.154 115.700 -0.065 0.000 2.370 210 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 210 S C 1.732 176.295 174.600 -0.061 0.000 1.033 210 S CA 1.947 60.097 58.200 -0.082 0.000 1.011 210 S CB -0.752 62.413 63.200 -0.059 0.000 0.852 210 S HN 0.816 nan 8.310 nan 0.000 0.457 211 E N 1.108 121.289 120.200 -0.031 0.000 2.058 211 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 211 E C 2.384 178.992 176.600 0.014 0.000 0.997 211 E CA 1.231 57.627 56.400 -0.006 0.000 0.801 211 E CB -0.274 29.427 29.700 0.001 0.000 0.746 211 E HN 0.479 nan 8.360 nan 0.000 0.450 212 R N 0.723 121.232 120.500 0.016 0.000 2.096 212 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 212 R C 2.203 178.555 176.300 0.086 0.000 1.127 212 R CA 1.275 57.407 56.100 0.054 0.000 0.968 212 R CB -0.209 30.121 30.300 0.051 0.000 0.861 212 R HN 0.128 nan 8.270 nan 0.000 0.440 213 K N 0.873 121.262 120.400 -0.017 0.000 2.032 213 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 213 K C 2.039 178.710 176.600 0.119 0.000 1.048 213 K CA 1.493 57.719 56.287 -0.101 0.000 0.927 213 K CB -0.048 32.091 32.500 -0.602 0.000 0.712 213 K HN 0.124 nan 8.250 nan 0.000 0.441 214 K N 1.064 121.495 120.400 0.052 0.000 2.020 214 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 214 K C 2.107 178.814 176.600 0.178 0.000 1.050 214 K CA 1.790 58.138 56.287 0.101 0.000 0.929 214 K CB -0.135 32.389 32.500 0.039 0.000 0.714 214 K HN 0.249 nan 8.250 nan 0.000 0.443 215 E N 0.640 120.930 120.200 0.149 0.000 2.077 215 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 215 E C 2.108 178.827 176.600 0.199 0.000 0.989 215 E CA 1.034 57.526 56.400 0.153 0.000 0.800 215 E CB -0.142 29.630 29.700 0.120 0.000 0.746 215 E HN 0.283 nan 8.360 nan 0.000 0.452 216 I N 0.131 120.858 120.570 0.261 0.000 2.252 216 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 216 I C 2.315 178.586 176.117 0.257 0.000 1.102 216 I CA 1.001 62.478 61.300 0.294 0.000 1.385 216 I CB -0.215 38.024 38.000 0.398 0.000 1.064 216 I HN 0.112 nan 8.210 nan 0.000 0.414 217 Y N 1.877 122.327 120.300 0.251 0.000 2.181 217 Y HA -0.280 4.270 4.550 0.000 0.000 0.288 217 Y C 2.486 178.405 175.900 0.032 0.000 1.146 217 Y CA 1.784 59.971 58.100 0.146 0.000 1.164 217 Y CB -0.102 38.483 38.460 0.208 0.000 0.982 217 Y HN 0.176 nan 8.280 nan 0.000 0.515 218 E N -0.513 119.804 120.200 0.195 0.000 2.085 218 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 218 E C 2.042 178.642 176.600 0.000 0.000 0.994 218 E CA 1.135 57.592 56.400 0.095 0.000 0.801 218 E CB -0.255 29.519 29.700 0.123 0.000 0.743 218 E HN 0.344 nan 8.360 nan 0.000 0.453 219 L N 0.750 122.004 121.223 0.053 0.000 2.046 219 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 219 L C 2.453 179.226 176.870 -0.162 0.000 1.077 219 L CA 1.724 56.637 54.840 0.122 0.000 0.747 219 L CB -1.504 40.708 42.059 0.255 0.000 0.896 219 L HN 0.068 nan 8.230 nan 0.000 0.432 220 A N -0.382 122.093 122.820 -0.574 0.000 1.933 220 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 220 A C 2.430 179.483 177.584 -0.886 0.000 1.175 220 A CA 1.482 52.652 52.037 -1.445 0.000 0.628 220 A CB -0.360 17.986 19.000 -1.090 0.000 0.814 220 A HN 0.390 nan 8.150 nan 0.000 0.444 221 R N -0.426 119.737 120.500 -0.561 0.000 2.062 221 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 221 R C 2.368 178.523 176.300 -0.243 0.000 1.136 221 R CA 1.520 57.413 56.100 -0.346 0.000 0.948 221 R CB -0.371 29.807 30.300 -0.203 0.000 0.845 221 R HN 0.542 nan 8.270 nan 0.000 0.430 222 K N 0.274 120.552 120.400 -0.204 0.000 2.044 222 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 222 K C 0.983 177.366 176.600 -0.362 0.000 1.049 222 K CA 1.659 57.792 56.287 -0.256 0.000 0.927 222 K CB -0.021 32.331 32.500 -0.248 0.000 0.713 222 K HN 0.214 nan 8.250 nan 0.000 0.443 223 Y N 0.485 120.724 120.300 -0.102 0.000 2.493 223 Y HA 0.095 4.645 4.550 -0.000 0.000 0.275 223 Y C -0.284 175.597 175.900 -0.032 0.000 1.183 223 Y CA -0.186 57.913 58.100 -0.001 0.000 1.258 223 Y CB 0.235 38.804 38.460 0.181 0.000 1.108 223 Y HN 0.194 nan 8.280 nan 0.000 0.521 224 D N 1.262 121.617 120.400 -0.075 0.000 2.802 224 D HA -0.244 4.396 4.640 -0.000 0.000 0.229 224 D C -0.906 175.492 176.300 0.164 0.000 1.203 224 D CA 0.761 54.741 54.000 -0.032 0.000 0.712 224 D CB -1.177 39.645 40.800 0.038 0.000 0.973 224 D HN 0.334 nan 8.370 nan 0.000 0.407 225 F N -1.061 118.942 119.950 0.089 0.000 2.598 225 F HA 0.715 5.242 4.527 -0.000 0.000 0.327 225 F C -0.444 175.313 175.800 -0.073 0.000 1.057 225 F CA -1.748 56.323 58.000 0.119 0.000 0.957 225 F CB 0.497 39.548 39.000 0.085 0.000 1.278 225 F HN -0.156 nan 8.300 nan 0.000 0.484 226 L N 2.209 123.521 121.223 0.150 0.000 2.436 226 L HA 0.392 4.732 4.340 -0.000 0.000 0.265 226 L C -0.125 176.843 176.870 0.163 0.000 1.168 226 L CA -0.621 54.187 54.840 -0.054 0.000 0.815 226 L CB 0.700 42.655 42.059 -0.173 0.000 1.109 226 L HN 0.596 nan 8.230 nan 0.000 0.462 227 I N 3.473 124.024 120.570 -0.031 0.000 2.362 227 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 227 I C -0.398 175.645 176.117 -0.123 0.000 0.994 227 I CA -0.590 60.651 61.300 -0.097 0.000 1.158 227 I CB 1.703 39.483 38.000 -0.366 0.000 1.315 227 I HN 0.357 nan 8.210 nan 0.000 0.451 228 I N 6.648 127.166 120.570 -0.086 0.000 2.291 228 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 228 I C 0.183 176.202 176.117 -0.162 0.000 1.050 228 I CA 0.152 61.381 61.300 -0.118 0.000 1.245 228 I CB 0.716 38.645 38.000 -0.119 0.000 1.405 228 I HN 0.560 nan 8.210 nan 0.000 0.478 229 E N 5.824 125.929 120.200 -0.158 0.000 1.963 229 E HA 0.118 4.468 4.350 -0.000 0.000 0.274 229 E C -1.035 175.464 176.600 -0.168 0.000 1.061 229 E CA -0.497 55.830 56.400 -0.122 0.000 0.847 229 E CB 0.320 30.008 29.700 -0.020 0.000 1.083 229 E HN 0.581 nan 8.360 nan 0.000 0.402 230 D N 3.775 124.041 120.400 -0.223 0.000 2.396 230 D HA 0.112 4.752 4.640 -0.000 0.000 0.225 230 D C -0.995 175.206 176.300 -0.164 0.000 1.121 230 D CA -0.375 53.521 54.000 -0.174 0.000 0.853 230 D CB 0.985 41.736 40.800 -0.081 0.000 1.043 230 D HN 0.244 nan 8.370 nan 0.000 0.500 231 D N 4.541 124.829 120.400 -0.188 0.000 2.886 231 D HA 0.191 4.831 4.640 -0.000 0.000 0.355 231 D C -1.859 174.325 176.300 -0.192 0.000 1.274 231 D CA -1.515 52.396 54.000 -0.148 0.000 0.836 231 D CB 1.205 41.913 40.800 -0.154 0.000 1.109 231 D HN 0.271 nan 8.370 nan 0.000 0.488 232 P HA -0.051 nan 4.420 nan 0.000 0.233 232 P C 0.471 177.441 177.300 -0.551 0.000 1.167 232 P CA 0.478 63.295 63.100 -0.471 0.000 0.770 232 P CB 0.006 31.313 31.700 -0.654 0.000 0.837 233 Y N -2.758 117.507 120.300 -0.059 0.000 2.607 233 Y HA 0.178 4.728 4.550 -0.000 0.000 0.266 233 Y C 2.097 177.932 175.900 -0.108 0.000 1.178 233 Y CA -0.798 57.243 58.100 -0.098 0.000 1.226 233 Y CB -0.699 37.670 38.460 -0.152 0.000 1.144 233 Y HN -0.162 nan 8.280 nan 0.000 0.528 234 Y N -0.006 120.213 120.300 -0.135 0.000 2.241 234 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 234 Y C 0.865 176.592 175.900 -0.288 0.000 1.166 234 Y CA 1.586 59.529 58.100 -0.263 0.000 1.203 234 Y CB -0.349 37.853 38.460 -0.430 0.000 0.977 234 Y HN 0.143 nan 8.280 nan 0.000 0.529 235 F N -0.843 119.085 119.950 -0.037 0.000 2.645 235 F HA 0.227 4.754 4.527 0.000 0.000 0.300 235 F C 0.288 175.993 175.800 -0.158 0.000 1.115 235 F CA 0.007 57.951 58.000 -0.093 0.000 1.355 235 F CB 0.274 39.340 39.000 0.109 0.000 1.026 235 F HN -0.019 nan 8.300 nan 0.000 0.536 236 L N 0.271 121.434 121.223 -0.100 0.000 3.288 236 L HA 0.292 4.632 4.340 -0.000 0.000 0.293 236 L C -0.006 176.551 176.870 -0.521 0.000 1.294 236 L CA 0.045 54.742 54.840 -0.239 0.000 1.006 236 L CB -0.066 41.852 42.059 -0.236 0.000 1.407 236 L HN -0.001 nan 8.230 nan 0.000 0.592 237 Q N -0.984 118.562 119.800 -0.423 0.000 2.286 237 Q HA 0.241 4.581 4.340 -0.000 0.000 0.257 237 Q C 0.520 176.307 176.000 -0.355 0.000 0.941 237 Q CA -0.051 55.485 55.803 -0.444 0.000 0.912 237 Q CB 0.967 29.525 28.738 -0.300 0.000 1.192 237 Q HN 0.286 nan 8.270 nan 0.000 0.410 238 F N 0.657 120.608 119.950 0.002 0.000 2.367 238 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 238 F C 0.990 176.795 175.800 0.008 0.000 1.094 238 F CA -0.025 57.983 58.000 0.013 0.000 1.409 238 F CB 0.202 39.216 39.000 0.024 0.000 1.064 238 F HN 0.536 nan 8.300 nan 0.000 0.528 239 N N 1.690 120.475 118.700 0.142 0.000 2.416 239 N HA -0.004 4.736 4.740 -0.000 0.000 0.265 239 N C 0.033 175.575 175.510 0.054 0.000 1.195 239 N CA -0.131 52.985 53.050 0.109 0.000 0.943 239 N CB 0.310 38.857 38.487 0.100 0.000 1.115 239 N HN 0.063 nan 8.380 nan 0.000 0.481 240 K N 3.158 123.579 120.400 0.036 0.000 2.968 240 K HA 0.044 4.364 4.320 -0.000 0.000 0.249 240 K C -0.767 175.698 176.600 -0.226 0.000 1.062 240 K CA 0.338 56.574 56.287 -0.085 0.000 1.215 240 K CB -0.168 32.265 32.500 -0.111 0.000 1.097 240 K HN 0.449 nan 8.250 nan 0.000 0.462 241 F N 1.381 121.316 119.950 -0.026 0.000 2.366 241 F HA 0.273 4.800 4.527 -0.000 0.000 0.366 241 F C 0.378 176.147 175.800 -0.052 0.000 1.096 241 F CA -0.938 57.044 58.000 -0.030 0.000 1.060 241 F CB 0.970 39.959 39.000 -0.018 0.000 1.282 241 F HN -0.169 nan 8.300 nan 0.000 0.450 242 R N 2.000 122.521 120.500 0.035 0.000 2.491 242 R HA 0.279 4.619 4.340 -0.000 0.000 0.283 242 R C -0.197 176.129 176.300 0.044 0.000 1.072 242 R CA -0.496 55.577 56.100 -0.046 0.000 1.048 242 R CB 1.222 31.405 30.300 -0.194 0.000 0.983 242 R HN 0.471 nan 8.270 nan 0.000 0.450 243 V N 4.578 124.504 119.914 0.020 0.000 2.715 243 V HA 0.176 4.296 4.120 -0.000 0.000 0.299 243 V C -2.049 174.077 176.094 0.054 0.000 1.054 243 V CA -1.762 60.552 62.300 0.022 0.000 1.077 243 V CB 0.740 32.551 31.823 -0.020 0.000 0.972 243 V HN 0.617 nan 8.190 nan 0.000 0.484 244 P HA 0.149 nan 4.420 nan 0.000 0.265 244 P C -0.185 177.077 177.300 -0.063 0.000 1.187 244 P CA 0.318 63.425 63.100 0.012 0.000 0.766 244 P CB 0.155 31.832 31.700 -0.039 0.000 0.820 245 T N -0.628 113.897 114.554 -0.048 0.000 2.849 245 T HA 0.264 4.614 4.350 -0.000 0.000 0.284 245 T C 1.023 175.591 174.700 -0.219 0.000 1.004 245 T CA -0.327 61.666 62.100 -0.179 0.000 1.021 245 T CB 0.124 68.806 68.868 -0.311 0.000 1.013 245 T HN 0.138 nan 8.240 nan 0.000 0.527 246 F N 0.070 119.959 119.950 -0.101 0.000 2.154 246 F HA -0.039 4.488 4.527 0.000 0.000 0.301 246 F C 2.232 177.961 175.800 -0.118 0.000 1.087 246 F CA 0.905 58.870 58.000 -0.058 0.000 1.274 246 F CB -0.438 38.573 39.000 0.018 0.000 1.009 246 F HN 0.423 nan 8.300 nan 0.000 0.485 247 L N 0.390 121.603 121.223 -0.017 0.000 2.046 247 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 247 L C 2.572 179.373 176.870 -0.114 0.000 1.077 247 L CA 2.063 56.840 54.840 -0.106 0.000 0.747 247 L CB -0.962 40.941 42.059 -0.260 0.000 0.896 247 L HN 0.156 nan 8.230 nan 0.000 0.432 248 S N -1.627 114.005 115.700 -0.113 0.000 2.474 248 S HA -0.190 4.280 4.470 -0.000 0.000 0.235 248 S C 1.835 176.359 174.600 -0.126 0.000 0.997 248 S CA 1.304 59.465 58.200 -0.065 0.000 0.949 248 S CB -0.624 62.575 63.200 -0.002 0.000 0.766 248 S HN 0.555 nan 8.310 nan 0.000 0.517 249 M N 1.200 120.682 119.600 -0.197 0.000 2.428 249 M HA 0.216 4.696 4.480 -0.000 0.000 0.239 249 M C 0.035 175.996 176.300 -0.564 0.000 1.121 249 M CA 0.139 55.215 55.300 -0.373 0.000 1.019 249 M CB 0.242 32.561 32.600 -0.469 0.000 1.485 249 M HN 0.083 nan 8.290 nan 0.000 0.484 250 D N 0.771 121.000 120.400 -0.285 0.000 2.713 250 D HA 0.021 4.661 4.640 -0.000 0.000 0.229 250 D C 1.089 177.392 176.300 0.005 0.000 1.136 250 D CA -0.036 53.904 54.000 -0.101 0.000 1.010 250 D CB 0.371 41.206 40.800 0.059 0.000 1.084 250 D HN 0.033 nan 8.370 nan 0.000 0.495 251 V N 2.030 121.947 119.914 0.005 0.000 2.594 251 V HA -0.165 3.955 4.120 -0.000 0.000 0.253 251 V C 0.947 177.214 176.094 0.287 0.000 1.069 251 V CA 1.812 64.195 62.300 0.138 0.000 1.082 251 V CB -0.001 31.887 31.823 0.108 0.000 0.680 251 V HN 0.310 nan 8.190 nan 0.000 0.469 252 D N 0.320 120.909 120.400 0.314 0.000 2.333 252 D HA 0.179 4.819 4.640 -0.000 0.000 0.208 252 D C 1.580 178.027 176.300 0.245 0.000 0.984 252 D CA 1.012 55.160 54.000 0.247 0.000 0.873 252 D CB -0.022 40.864 40.800 0.143 0.000 0.935 252 D HN 0.652 nan 8.370 nan 0.000 0.521 253 G N 2.259 111.200 108.800 0.235 0.000 2.298 253 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.287 253 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.287 253 G C 0.726 175.741 174.900 0.192 0.000 1.075 253 G CA 0.441 45.667 45.100 0.210 0.000 0.960 253 G HN 0.505 nan 8.290 nan 0.000 0.502 254 R N -1.573 118.988 120.500 0.102 0.000 2.472 254 R HA 0.497 4.837 4.340 -0.000 0.000 0.279 254 R C 0.161 176.431 176.300 -0.050 0.000 0.953 254 R CA -0.215 55.865 56.100 -0.034 0.000 1.088 254 R CB 0.662 30.855 30.300 -0.179 0.000 1.197 254 R HN 0.288 nan 8.270 nan 0.000 0.536 255 V N 2.324 122.251 119.914 0.020 0.000 2.435 255 V HA 0.402 4.522 4.120 -0.000 0.000 0.290 255 V C -0.130 175.926 176.094 -0.064 0.000 1.030 255 V CA -0.713 61.579 62.300 -0.013 0.000 0.881 255 V CB 1.842 33.704 31.823 0.065 0.000 0.983 255 V HN 0.187 nan 8.190 nan 0.000 0.445 256 I N 5.257 125.765 120.570 -0.105 0.000 2.362 256 I HA 0.535 4.705 4.170 -0.000 0.000 0.289 256 I C 0.078 176.107 176.117 -0.147 0.000 0.994 256 I CA -0.423 60.799 61.300 -0.130 0.000 1.158 256 I CB 1.416 39.322 38.000 -0.156 0.000 1.315 256 I HN 0.564 nan 8.210 nan 0.000 0.451 257 R N 5.588 125.994 120.500 -0.157 0.000 2.393 257 R HA 0.796 5.136 4.340 -0.000 0.000 0.310 257 R C -1.036 175.125 176.300 -0.231 0.000 0.968 257 R CA -0.465 55.517 56.100 -0.198 0.000 0.867 257 R CB 1.591 31.748 30.300 -0.238 0.000 1.124 257 R HN 0.724 nan 8.270 nan 0.000 0.450 258 A N 4.431 127.097 122.820 -0.257 0.000 2.271 258 A HA 0.361 4.681 4.320 -0.000 0.000 0.317 258 A C -0.977 176.351 177.584 -0.427 0.000 1.245 258 A CA -0.726 51.125 52.037 -0.311 0.000 0.857 258 A CB 0.812 19.667 19.000 -0.242 0.000 1.175 258 A HN 0.828 nan 8.150 nan 0.000 0.512 259 D N 0.835 120.816 120.400 -0.699 0.000 2.228 259 D HA 0.548 5.188 4.640 -0.000 0.000 0.247 259 D C -0.698 175.133 176.300 -0.783 0.000 0.995 259 D CA 0.037 53.510 54.000 -0.878 0.000 0.903 259 D CB 2.092 41.937 40.800 -1.590 0.000 1.205 259 D HN 0.423 nan 8.370 nan 0.000 0.459 260 S N 0.502 115.919 115.700 -0.471 0.000 2.536 260 S HA 0.351 4.821 4.470 -0.000 0.000 0.287 260 S C -0.326 174.232 174.600 -0.069 0.000 1.101 260 S CA -0.585 57.462 58.200 -0.255 0.000 0.950 260 S CB 0.565 63.653 63.200 -0.187 0.000 1.056 260 S HN 0.251 nan 8.310 nan 0.000 0.481 261 F N 2.267 122.304 119.950 0.146 0.000 2.732 261 F HA 0.264 4.792 4.527 0.000 0.000 0.303 261 F C 2.213 178.086 175.800 0.120 0.000 1.110 261 F CA -0.004 58.106 58.000 0.183 0.000 1.355 261 F CB -0.196 38.913 39.000 0.182 0.000 1.081 261 F HN 0.484 nan 8.300 nan 0.000 0.565 262 S N -0.293 115.535 115.700 0.214 0.000 2.406 262 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 262 S C 1.965 176.646 174.600 0.134 0.000 1.020 262 S CA 0.965 59.251 58.200 0.143 0.000 0.965 262 S CB 0.041 63.281 63.200 0.066 0.000 0.798 262 S HN 0.124 nan 8.310 nan 0.000 0.488 263 K N 1.463 121.931 120.400 0.113 0.000 2.314 263 K HA 0.256 4.576 4.320 -0.000 0.000 0.198 263 K C 1.646 178.346 176.600 0.167 0.000 1.045 263 K CA 0.456 56.803 56.287 0.101 0.000 0.988 263 K CB -0.171 32.334 32.500 0.008 0.000 0.783 263 K HN 0.603 nan 8.250 nan 0.000 0.484 264 I N -4.394 116.322 120.570 0.243 0.000 4.244 264 I HA 0.277 4.447 4.170 -0.000 0.000 0.318 264 I C 1.407 177.751 176.117 0.378 0.000 1.282 264 I CA 0.213 61.695 61.300 0.303 0.000 1.276 264 I CB 0.318 38.497 38.000 0.298 0.000 1.183 264 I HN -0.152 nan 8.210 nan 0.000 0.431 265 I N -0.446 120.287 120.570 0.271 0.000 3.673 265 I HA 0.232 4.402 4.170 -0.000 0.000 0.281 265 I C 0.483 176.641 176.117 0.068 0.000 1.182 265 I CA 0.203 61.570 61.300 0.112 0.000 1.391 265 I CB 1.081 39.016 38.000 -0.109 0.000 1.383 265 I HN 0.207 nan 8.210 nan 0.000 0.456 266 S N -0.587 115.180 115.700 0.112 0.000 2.602 266 S HA 0.132 4.602 4.470 -0.000 0.000 0.301 266 S C 0.441 175.111 174.600 0.117 0.000 1.091 266 S CA -0.059 58.194 58.200 0.090 0.000 0.895 266 S CB 0.884 64.108 63.200 0.040 0.000 1.090 266 S HN 0.236 nan 8.310 nan 0.000 0.449 267 S N 3.253 119.014 115.700 0.103 0.000 2.406 267 S HA 0.145 4.615 4.470 -0.000 0.000 0.224 267 S C 1.894 176.540 174.600 0.078 0.000 1.030 267 S CA 0.913 59.170 58.200 0.096 0.000 0.958 267 S CB -0.683 62.574 63.200 0.095 0.000 0.811 267 S HN 1.112 nan 8.310 nan 0.000 0.489 268 G N 1.455 110.293 108.800 0.063 0.000 2.623 268 G HA2 0.175 4.135 3.960 -0.000 0.000 0.214 268 G HA3 0.175 4.135 3.960 -0.000 0.000 0.214 268 G C 1.289 176.213 174.900 0.039 0.000 1.138 268 G CA 0.116 45.243 45.100 0.046 0.000 0.794 268 G HN 0.479 nan 8.290 nan 0.000 0.535 269 L N -0.654 120.599 121.223 0.049 0.000 2.362 269 L HA 0.078 4.418 4.340 -0.000 0.000 0.219 269 L C 0.811 177.723 176.870 0.069 0.000 1.134 269 L CA -0.087 54.786 54.840 0.054 0.000 0.807 269 L CB -0.162 41.931 42.059 0.055 0.000 0.927 269 L HN 0.059 nan 8.230 nan 0.000 0.447 270 R N 0.960 121.507 120.500 0.078 0.000 3.084 270 R HA -0.135 4.205 4.340 -0.000 0.000 0.258 270 R C -1.114 175.249 176.300 0.104 0.000 0.914 270 R CA 0.558 56.704 56.100 0.077 0.000 0.646 270 R CB -2.211 28.118 30.300 0.049 0.000 1.330 270 R HN 0.155 nan 8.270 nan 0.000 0.465 271 I N -0.208 120.455 120.570 0.155 0.000 2.500 271 I HA 0.546 4.716 4.170 -0.000 0.000 0.286 271 I C 1.102 177.374 176.117 0.259 0.000 1.063 271 I CA -0.451 60.981 61.300 0.220 0.000 1.062 271 I CB 1.811 39.983 38.000 0.286 0.000 1.223 271 I HN 0.359 nan 8.210 nan 0.000 0.435 272 G N 5.394 114.295 108.800 0.167 0.000 3.105 272 G HA2 0.891 4.851 3.960 -0.000 0.000 0.277 272 G HA3 0.891 4.851 3.960 -0.000 0.000 0.277 272 G C -1.564 173.446 174.900 0.183 0.000 1.375 272 G CA -0.529 44.605 45.100 0.057 0.000 0.962 272 G HN 0.413 nan 8.290 nan 0.000 0.541 273 F N -2.157 117.714 119.950 -0.132 0.000 2.654 273 F HA 0.785 5.312 4.527 -0.000 0.000 0.308 273 F C -1.730 174.005 175.800 -0.109 0.000 1.108 273 F CA -1.529 56.412 58.000 -0.099 0.000 0.957 273 F CB 1.802 40.750 39.000 -0.087 0.000 1.309 273 F HN 0.509 nan 8.300 nan 0.000 0.446 274 L N 1.958 123.215 121.223 0.057 0.000 2.362 274 L HA 0.842 5.182 4.340 -0.000 0.000 0.275 274 L C -0.886 175.992 176.870 0.013 0.000 0.998 274 L CA 0.021 54.831 54.840 -0.050 0.000 0.820 274 L CB 2.223 44.237 42.059 -0.075 0.000 1.270 274 L HN 0.874 nan 8.230 nan 0.000 0.415 275 T N 3.448 117.982 114.554 -0.032 0.000 2.824 275 T HA 0.932 5.282 4.350 -0.000 0.000 0.282 275 T C -0.207 174.448 174.700 -0.076 0.000 0.993 275 T CA -0.298 61.789 62.100 -0.022 0.000 0.967 275 T CB 1.618 70.484 68.868 -0.004 0.000 0.960 275 T HN 0.958 nan 8.240 nan 0.000 0.441 276 G N 2.610 111.364 108.800 -0.078 0.000 2.430 276 G HA2 0.560 4.520 3.960 -0.000 0.000 0.300 276 G HA3 0.560 4.520 3.960 -0.000 0.000 0.300 276 G C -3.427 171.406 174.900 -0.110 0.000 1.330 276 G CA -1.003 44.038 45.100 -0.098 0.000 0.813 276 G HN 0.443 nan 8.290 nan 0.000 0.487 277 P HA 0.171 nan 4.420 nan 0.000 0.264 277 P C 0.688 177.846 177.300 -0.237 0.000 1.193 277 P CA -0.015 62.963 63.100 -0.204 0.000 0.763 277 P CB 1.249 32.691 31.700 -0.429 0.000 0.810 278 K N 6.547 126.853 120.400 -0.157 0.000 2.077 278 K HA -0.199 4.121 4.320 -0.000 0.000 0.213 278 K C -0.903 175.602 176.600 -0.157 0.000 1.051 278 K CA 2.453 58.670 56.287 -0.116 0.000 0.929 278 K CB -1.643 30.826 32.500 -0.052 0.000 0.715 278 K HN 0.373 nan 8.250 nan 0.000 0.451 279 P HA -0.143 nan 4.420 nan 0.000 0.218 279 P C 0.962 178.149 177.300 -0.188 0.000 1.148 279 P CA 1.188 64.163 63.100 -0.207 0.000 0.822 279 P CB 0.050 31.583 31.700 -0.279 0.000 0.784 280 L N -1.486 119.567 121.223 -0.282 0.000 2.068 280 L HA -0.085 4.255 4.340 -0.000 0.000 0.204 280 L C 2.297 179.108 176.870 -0.099 0.000 1.076 280 L CA 1.026 55.769 54.840 -0.163 0.000 0.753 280 L CB -0.881 41.060 42.059 -0.197 0.000 0.910 280 L HN -0.078 nan 8.230 nan 0.000 0.439 281 I N 0.512 121.016 120.570 -0.110 0.000 2.208 281 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 281 I C 2.540 178.634 176.117 -0.039 0.000 1.097 281 I CA 1.591 62.851 61.300 -0.068 0.000 1.363 281 I CB -1.005 36.957 38.000 -0.063 0.000 1.051 281 I HN 0.468 nan 8.210 nan 0.000 0.413 282 E N 0.929 121.104 120.200 -0.043 0.000 2.070 282 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 282 E C 2.254 178.854 176.600 -0.000 0.000 1.004 282 E CA 1.393 57.782 56.400 -0.018 0.000 0.805 282 E CB 0.099 29.787 29.700 -0.021 0.000 0.744 282 E HN 0.251 nan 8.360 nan 0.000 0.451 283 R N 0.343 120.842 120.500 -0.001 0.000 2.096 283 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 283 R C 2.473 178.802 176.300 0.049 0.000 1.127 283 R CA 1.210 57.324 56.100 0.023 0.000 0.968 283 R CB -1.588 28.729 30.300 0.028 0.000 0.861 283 R HN 0.365 nan 8.270 nan 0.000 0.440 284 V N 0.026 119.959 119.914 0.032 0.000 2.488 284 V HA -0.069 4.051 4.120 -0.000 0.000 0.246 284 V C 1.979 178.102 176.094 0.048 0.000 1.046 284 V CA 1.125 63.451 62.300 0.044 0.000 1.053 284 V CB -0.238 31.580 31.823 -0.008 0.000 0.679 284 V HN 0.168 nan 8.190 nan 0.000 0.458 285 I N 0.120 120.708 120.570 0.030 0.000 2.163 285 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 285 I C 2.576 178.726 176.117 0.055 0.000 1.085 285 I CA 2.108 63.429 61.300 0.036 0.000 1.347 285 I CB -0.379 37.636 38.000 0.024 0.000 1.044 285 I HN 0.303 nan 8.210 nan 0.000 0.408 286 L N -0.426 120.831 121.223 0.057 0.000 2.083 286 L HA -0.275 4.065 4.340 -0.000 0.000 0.209 286 L C 2.642 179.578 176.870 0.111 0.000 1.083 286 L CA 1.634 56.510 54.840 0.061 0.000 0.752 286 L CB -0.831 41.251 42.059 0.038 0.000 0.899 286 L HN 0.407 nan 8.230 nan 0.000 0.433 287 H N -0.024 119.050 119.070 0.006 0.000 2.395 287 H HA -0.100 4.456 4.556 0.000 0.000 0.299 287 H C 2.457 177.790 175.328 0.007 0.000 1.070 287 H CA 1.018 57.070 56.048 0.007 0.000 1.356 287 H CB 0.303 30.068 29.762 0.005 0.000 1.401 287 H HN 0.208 nan 8.280 nan 0.000 0.524 288 I N 0.915 121.538 120.570 0.088 0.000 2.208 288 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 288 I C 2.415 178.561 176.117 0.047 0.000 1.097 288 I CA 1.326 62.635 61.300 0.015 0.000 1.363 288 I CB -0.322 37.684 38.000 0.010 0.000 1.051 288 I HN 0.449 nan 8.210 nan 0.000 0.413 289 Q N 0.006 119.846 119.800 0.065 0.000 2.197 289 Q HA -0.193 4.147 4.340 -0.000 0.000 0.207 289 Q C 2.041 178.072 176.000 0.050 0.000 0.984 289 Q CA 1.981 57.817 55.803 0.055 0.000 0.869 289 Q CB -0.116 28.649 28.738 0.045 0.000 0.906 289 Q HN 0.637 nan 8.270 nan 0.000 0.426 290 V N -2.958 117.002 119.914 0.076 0.000 3.647 290 V HA 0.120 4.240 4.120 -0.000 0.000 0.279 290 V C 1.236 177.375 176.094 0.076 0.000 1.314 290 V CA 0.708 63.051 62.300 0.072 0.000 1.125 290 V CB 0.285 32.152 31.823 0.073 0.000 0.907 290 V HN 0.229 nan 8.190 nan 0.000 0.434 291 S N 1.415 117.151 115.700 0.060 0.000 3.169 291 S HA 0.023 4.493 4.470 -0.000 0.000 0.174 291 S C 1.779 176.375 174.600 -0.006 0.000 0.696 291 S CA 0.901 59.114 58.200 0.022 0.000 0.819 291 S CB -0.305 62.883 63.200 -0.020 0.000 0.867 291 S HN 0.570 nan 8.310 nan 0.000 0.680 292 T N 0.475 115.011 114.554 -0.029 0.000 3.055 292 T HA 0.331 4.681 4.350 -0.000 0.000 0.265 292 T C 1.335 175.989 174.700 -0.077 0.000 1.111 292 T CA 0.861 62.930 62.100 -0.052 0.000 1.118 292 T CB -0.746 68.086 68.868 -0.059 0.000 0.909 292 T HN 0.524 nan 8.240 nan 0.000 0.501 293 L N -0.277 120.934 121.223 -0.021 0.000 3.015 293 L HA -0.241 4.099 4.340 -0.000 0.000 0.389 293 L C 0.613 177.553 176.870 0.116 0.000 0.737 293 L CA 2.013 56.872 54.840 0.031 0.000 3.213 293 L CB -1.910 40.173 42.059 0.039 0.000 0.600 293 L HN 0.891 nan 8.230 nan 0.000 0.774 294 H N -2.673 116.437 119.070 0.067 0.000 2.935 294 H HA 0.466 5.022 4.556 -0.000 0.000 0.297 294 H C -3.223 172.140 175.328 0.059 0.000 1.423 294 H CA -1.340 54.745 56.048 0.062 0.000 1.161 294 H CB 1.362 31.171 29.762 0.078 0.000 1.841 294 H HN -0.158 nan 8.280 nan 0.000 0.506 295 P HA 0.062 nan 4.420 nan 0.000 0.274 295 P C 0.024 177.474 177.300 0.250 0.000 1.237 295 P CA -0.333 62.858 63.100 0.152 0.000 0.793 295 P CB 0.695 32.480 31.700 0.141 0.000 0.977 296 S N 0.566 116.349 115.700 0.138 0.000 2.673 296 S HA -0.058 4.412 4.470 -0.000 0.000 0.308 296 S C 1.618 176.337 174.600 0.199 0.000 1.246 296 S CA 0.638 58.928 58.200 0.150 0.000 1.077 296 S CB -0.456 62.801 63.200 0.095 0.000 0.814 296 S HN 0.649 nan 8.310 nan 0.000 0.503 297 T N 4.859 119.546 114.554 0.221 0.000 2.857 297 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 297 T C 1.430 176.180 174.700 0.083 0.000 1.048 297 T CA 1.515 63.680 62.100 0.108 0.000 1.139 297 T CB -0.574 68.301 68.868 0.012 0.000 0.874 297 T HN 0.697 nan 8.240 nan 0.000 0.455 298 F N 2.514 122.459 119.950 -0.009 0.000 2.063 298 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 298 F C 2.130 177.974 175.800 0.075 0.000 1.109 298 F CA 2.395 60.416 58.000 0.034 0.000 1.212 298 F CB -0.634 38.382 39.000 0.026 0.000 0.973 298 F HN 0.340 nan 8.300 nan 0.000 0.480 299 N N -0.825 118.064 118.700 0.316 0.000 2.188 299 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 299 N C 1.800 177.353 175.510 0.072 0.000 1.018 299 N CA 0.989 54.153 53.050 0.191 0.000 0.858 299 N CB -0.235 38.339 38.487 0.145 0.000 0.989 299 N HN 0.497 nan 8.380 nan 0.000 0.426 300 Q N 0.860 120.696 119.800 0.061 0.000 2.050 300 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 300 Q C 2.200 178.167 176.000 -0.054 0.000 0.980 300 Q CA 1.000 56.810 55.803 0.012 0.000 0.840 300 Q CB -0.092 28.662 28.738 0.026 0.000 0.898 300 Q HN 0.411 nan 8.270 nan 0.000 0.424 301 L N -0.062 121.110 121.223 -0.084 0.000 2.042 301 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 301 L C 2.484 179.332 176.870 -0.036 0.000 1.076 301 L CA 1.082 55.836 54.840 -0.144 0.000 0.749 301 L CB -0.343 41.480 42.059 -0.394 0.000 0.893 301 L HN 0.332 nan 8.230 nan 0.000 0.432 302 M N -0.603 119.007 119.600 0.017 0.000 2.065 302 M HA -0.250 4.230 4.480 -0.000 0.000 0.259 302 M C 2.298 178.477 176.300 -0.202 0.000 1.069 302 M CA 1.966 57.219 55.300 -0.077 0.000 1.110 302 M CB -0.434 32.111 32.600 -0.091 0.000 1.328 302 M HN 0.171 nan 8.290 nan 0.000 0.405 303 I N -0.864 119.578 120.570 -0.212 0.000 2.202 303 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 303 I C 2.747 178.620 176.117 -0.407 0.000 1.091 303 I CA 1.345 62.430 61.300 -0.358 0.000 1.368 303 I CB -0.480 37.312 38.000 -0.347 0.000 1.058 303 I HN 0.313 nan 8.210 nan 0.000 0.410 304 S N 0.143 115.683 115.700 -0.266 0.000 2.402 304 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 304 S C 2.001 176.514 174.600 -0.145 0.000 1.021 304 S CA 1.389 59.462 58.200 -0.211 0.000 0.974 304 S CB -0.141 63.014 63.200 -0.075 0.000 0.800 304 S HN 0.438 nan 8.310 nan 0.000 0.484 305 Q N -0.034 119.656 119.800 -0.183 0.000 2.172 305 Q HA -0.005 4.335 4.340 -0.000 0.000 0.200 305 Q C 2.200 178.042 176.000 -0.264 0.000 0.964 305 Q CA 1.260 56.962 55.803 -0.167 0.000 0.855 305 Q CB -0.270 28.400 28.738 -0.114 0.000 0.918 305 Q HN 0.547 nan 8.270 nan 0.000 0.444 306 L N 0.370 121.344 121.223 -0.415 0.000 1.994 306 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 306 L C 1.873 178.322 176.870 -0.702 0.000 1.071 306 L CA 1.502 55.939 54.840 -0.672 0.000 0.745 306 L CB -0.399 41.166 42.059 -0.824 0.000 0.892 306 L HN 0.141 nan 8.230 nan 0.000 0.431 307 L N -0.563 120.246 121.223 -0.689 0.000 2.046 307 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 307 L C 2.556 179.110 176.870 -0.525 0.000 1.077 307 L CA 1.856 56.195 54.840 -0.836 0.000 0.747 307 L CB -1.414 39.617 42.059 -1.713 0.000 0.896 307 L HN 0.404 nan 8.230 nan 0.000 0.432 308 H N -1.781 117.046 119.070 -0.404 0.000 2.428 308 H HA -0.111 4.445 4.556 -0.000 0.000 0.296 308 H C 2.156 177.504 175.328 0.033 0.000 1.062 308 H CA 1.222 57.240 56.048 -0.049 0.000 1.350 308 H CB 0.262 29.995 29.762 -0.049 0.000 1.403 308 H HN 0.266 nan 8.280 nan 0.000 0.533 309 E N -0.367 119.864 120.200 0.051 0.000 2.072 309 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 309 E C 1.395 178.108 176.600 0.188 0.000 0.982 309 E CA 0.847 57.284 56.400 0.061 0.000 0.803 309 E CB -0.159 29.507 29.700 -0.056 0.000 0.755 309 E HN 0.398 nan 8.360 nan 0.000 0.453 310 W N 0.852 122.160 121.300 0.013 0.000 2.363 310 W HA 0.196 4.856 4.660 -0.000 0.000 0.296 310 W C 1.248 177.841 176.519 0.124 0.000 1.212 310 W CA 1.742 59.119 57.345 0.053 0.000 1.260 310 W CB -1.053 28.435 29.460 0.047 0.000 1.131 310 W HN 0.261 nan 8.180 nan 0.000 0.530 311 G N 0.005 109.059 108.800 0.423 0.000 2.877 311 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.279 311 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.279 311 G C 0.564 175.757 174.900 0.489 0.000 1.431 311 G CA 0.150 45.491 45.100 0.401 0.000 0.883 311 G HN 0.243 nan 8.290 nan 0.000 0.547 312 E N -0.379 120.024 120.200 0.338 0.000 2.153 312 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 312 E C 2.246 179.017 176.600 0.284 0.000 0.988 312 E CA 1.589 58.172 56.400 0.306 0.000 0.811 312 E CB -0.017 29.705 29.700 0.038 0.000 0.746 312 E HN 0.587 nan 8.360 nan 0.000 0.466 313 E N -0.047 120.256 120.200 0.171 0.000 2.031 313 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 313 E C 2.038 178.654 176.600 0.027 0.000 0.994 313 E CA 1.677 58.128 56.400 0.085 0.000 0.800 313 E CB -0.565 29.169 29.700 0.057 0.000 0.752 313 E HN 0.244 nan 8.360 nan 0.000 0.447 314 G N -0.470 108.357 108.800 0.044 0.000 2.422 314 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 314 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 314 G C 1.477 176.103 174.900 -0.455 0.000 1.146 314 G CA 0.744 45.704 45.100 -0.233 0.000 0.769 314 G HN 0.372 nan 8.290 nan 0.000 0.547 315 F N 1.126 121.030 119.950 -0.076 0.000 2.075 315 F HA -0.010 4.517 4.527 -0.000 0.000 0.297 315 F C 2.567 178.329 175.800 -0.064 0.000 1.113 315 F CA 1.458 59.474 58.000 0.027 0.000 1.218 315 F CB -0.037 39.187 39.000 0.374 0.000 0.984 315 F HN -0.004 nan 8.300 nan 0.000 0.472 316 M N 0.519 120.050 119.600 -0.115 0.000 2.229 316 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 316 M C 2.503 178.652 176.300 -0.251 0.000 1.063 316 M CA 1.385 56.557 55.300 -0.213 0.000 1.114 316 M CB -2.073 30.533 32.600 0.010 0.000 1.387 316 M HN 0.336 nan 8.290 nan 0.000 0.420 317 A N -0.425 122.252 122.820 -0.238 0.000 1.908 317 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 317 A C 2.210 179.611 177.584 -0.305 0.000 1.181 317 A CA 2.003 53.893 52.037 -0.245 0.000 0.627 317 A CB -1.196 17.659 19.000 -0.241 0.000 0.818 317 A HN 0.616 nan 8.150 nan 0.000 0.445 318 H N -0.081 118.648 119.070 -0.567 0.000 2.321 318 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 318 H C 2.222 177.343 175.328 -0.346 0.000 1.087 318 H CA 2.354 58.083 56.048 -0.532 0.000 1.319 318 H CB -0.279 28.963 29.762 -0.865 0.000 1.379 318 H HN 0.362 nan 8.280 nan 0.000 0.501 319 V N 1.010 120.608 119.914 -0.526 0.000 2.407 319 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 319 V C 1.782 177.730 176.094 -0.244 0.000 1.055 319 V CA 2.421 64.467 62.300 -0.424 0.000 1.049 319 V CB -0.425 31.154 31.823 -0.406 0.000 0.662 319 V HN 0.269 nan 8.190 nan 0.000 0.455 320 D N 0.258 120.533 120.400 -0.209 0.000 2.117 320 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 320 D C 2.420 178.667 176.300 -0.089 0.000 0.987 320 D CA 1.750 55.679 54.000 -0.119 0.000 0.829 320 D CB -0.262 40.470 40.800 -0.113 0.000 0.961 320 D HN 0.522 nan 8.370 nan 0.000 0.460 321 R N 0.243 120.657 120.500 -0.145 0.000 2.075 321 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 321 R C 2.416 178.701 176.300 -0.026 0.000 1.126 321 R CA 0.876 56.924 56.100 -0.086 0.000 0.963 321 R CB -0.462 29.768 30.300 -0.117 0.000 0.858 321 R HN 0.136 nan 8.270 nan 0.000 0.435 322 V N 0.788 120.630 119.914 -0.121 0.000 2.427 322 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 322 V C 1.887 178.174 176.094 0.322 0.000 1.051 322 V CA 1.548 63.901 62.300 0.088 0.000 1.048 322 V CB -0.260 31.572 31.823 0.015 0.000 0.666 322 V HN 0.258 nan 8.190 nan 0.000 0.456 323 I N 0.565 121.241 120.570 0.176 0.000 2.163 323 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 323 I C 2.445 178.744 176.117 0.303 0.000 1.085 323 I CA 2.228 63.681 61.300 0.253 0.000 1.347 323 I CB -0.641 37.431 38.000 0.120 0.000 1.044 323 I HN 0.325 nan 8.210 nan 0.000 0.408 324 D N 0.520 121.026 120.400 0.176 0.000 2.116 324 D HA -0.252 4.388 4.640 -0.000 0.000 0.193 324 D C 1.889 178.272 176.300 0.138 0.000 0.998 324 D CA 1.431 55.507 54.000 0.125 0.000 0.836 324 D CB -0.418 40.425 40.800 0.073 0.000 0.951 324 D HN 0.310 nan 8.370 nan 0.000 0.449 325 F N 0.105 120.093 119.950 0.064 0.000 2.075 325 F HA -0.237 4.290 4.527 -0.000 0.000 0.297 325 F C 2.119 177.926 175.800 0.011 0.000 1.113 325 F CA 1.358 59.356 58.000 -0.003 0.000 1.218 325 F CB -0.616 38.344 39.000 -0.067 0.000 0.984 325 F HN -0.038 nan 8.300 nan 0.000 0.472 326 Y N -0.328 120.067 120.300 0.157 0.000 2.274 326 Y HA -0.196 4.354 4.550 0.000 0.000 0.290 326 Y C 3.008 178.903 175.900 -0.008 0.000 1.145 326 Y CA 1.639 59.845 58.100 0.176 0.000 1.203 326 Y CB -0.952 37.806 38.460 0.497 0.000 0.984 326 Y HN 0.185 nan 8.280 nan 0.000 0.533 327 S N 0.038 115.776 115.700 0.062 0.000 2.355 327 S HA -0.207 4.263 4.470 -0.000 0.000 0.222 327 S C 1.764 176.138 174.600 -0.377 0.000 1.031 327 S CA 1.785 59.771 58.200 -0.357 0.000 0.993 327 S CB -0.446 62.676 63.200 -0.130 0.000 0.859 327 S HN 0.600 nan 8.310 nan 0.000 0.453 328 N N 0.211 118.738 118.700 -0.288 0.000 2.166 328 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 328 N C 2.029 177.313 175.510 -0.376 0.000 1.019 328 N CA 1.122 53.990 53.050 -0.303 0.000 0.856 328 N CB -0.050 38.288 38.487 -0.248 0.000 0.993 328 N HN 0.379 nan 8.380 nan 0.000 0.426 329 Q N 1.049 120.560 119.800 -0.482 0.000 2.079 329 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 329 Q C 1.901 177.649 176.000 -0.419 0.000 0.974 329 Q CA 1.089 56.664 55.803 -0.379 0.000 0.840 329 Q CB -0.201 28.331 28.738 -0.344 0.000 0.898 329 Q HN 0.400 nan 8.270 nan 0.000 0.430 330 K N 0.749 120.730 120.400 -0.699 0.000 2.026 330 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 330 K C 1.445 177.644 176.600 -0.670 0.000 1.048 330 K CA 1.559 57.136 56.287 -1.183 0.000 0.929 330 K CB 0.080 31.821 32.500 -1.265 0.000 0.713 330 K HN 0.050 nan 8.250 nan 0.000 0.439 331 D N 0.517 120.625 120.400 -0.487 0.000 2.116 331 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 331 D C 1.798 177.930 176.300 -0.279 0.000 0.998 331 D CA 1.606 55.413 54.000 -0.322 0.000 0.836 331 D CB -0.373 40.277 40.800 -0.251 0.000 0.951 331 D HN 0.379 nan 8.370 nan 0.000 0.449 332 A N 0.824 123.480 122.820 -0.273 0.000 1.883 332 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 332 A C 2.367 179.808 177.584 -0.239 0.000 1.186 332 A CA 1.132 53.041 52.037 -0.212 0.000 0.624 332 A CB -0.792 18.110 19.000 -0.163 0.000 0.822 332 A HN 0.305 nan 8.150 nan 0.000 0.444 333 I N -1.095 119.301 120.570 -0.289 0.000 2.439 333 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 333 I C 1.981 177.802 176.117 -0.493 0.000 1.139 333 I CA 0.717 61.821 61.300 -0.328 0.000 1.438 333 I CB -0.006 37.905 38.000 -0.148 0.000 1.085 333 I HN 0.197 nan 8.210 nan 0.000 0.427 334 L N 1.030 122.018 121.223 -0.392 0.000 2.017 334 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 334 L C 2.785 179.510 176.870 -0.242 0.000 1.073 334 L CA 2.197 56.860 54.840 -0.295 0.000 0.745 334 L CB -1.798 40.170 42.059 -0.152 0.000 0.894 334 L HN 0.281 nan 8.230 nan 0.000 0.432 335 A N -0.622 122.066 122.820 -0.219 0.000 1.883 335 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 335 A C 2.495 179.945 177.584 -0.223 0.000 1.186 335 A CA 2.169 54.100 52.037 -0.176 0.000 0.624 335 A CB -0.930 17.981 19.000 -0.148 0.000 0.822 335 A HN 0.423 nan 8.150 nan 0.000 0.444 336 A N -0.357 122.277 122.820 -0.311 0.000 1.902 336 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 336 A C 2.506 179.799 177.584 -0.486 0.000 1.181 336 A CA 2.258 54.093 52.037 -0.336 0.000 0.623 336 A CB -0.989 17.757 19.000 -0.423 0.000 0.818 336 A HN 1.093 nan 8.150 nan 0.000 0.443 337 A N -0.207 122.123 122.820 -0.817 0.000 1.898 337 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 337 A C 1.816 179.255 177.584 -0.243 0.000 1.181 337 A CA 1.772 53.324 52.037 -0.809 0.000 0.620 337 A CB -0.552 17.555 19.000 -1.487 0.000 0.819 337 A HN 0.440 nan 8.150 nan 0.000 0.442 338 D N -0.318 120.053 120.400 -0.050 0.000 2.104 338 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 338 D C 1.888 178.180 176.300 -0.013 0.000 0.994 338 D CA 1.619 55.709 54.000 0.151 0.000 0.830 338 D CB -0.285 40.562 40.800 0.078 0.000 0.959 338 D HN 0.554 nan 8.370 nan 0.000 0.452 339 K N -0.583 119.715 120.400 -0.171 0.000 2.020 339 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 339 K C 1.992 178.287 176.600 -0.507 0.000 1.050 339 K CA 1.593 57.633 56.287 -0.412 0.000 0.929 339 K CB -0.155 32.004 32.500 -0.569 0.000 0.714 339 K HN 0.219 nan 8.250 nan 0.000 0.443 340 W N -0.451 120.864 121.300 0.024 0.000 2.762 340 W HA 0.212 4.872 4.660 -0.000 0.000 0.265 340 W C 1.335 177.915 176.519 0.103 0.000 1.263 340 W CA -0.288 57.100 57.345 0.072 0.000 1.411 340 W CB 0.411 29.941 29.460 0.116 0.000 1.065 340 W HN -0.037 nan 8.180 nan 0.000 0.609 341 L N 0.032 121.447 121.223 0.319 0.000 2.693 341 L HA 0.231 4.571 4.340 -0.000 0.000 0.235 341 L C 0.420 177.496 176.870 0.343 0.000 1.127 341 L CA 0.088 55.122 54.840 0.324 0.000 0.914 341 L CB -0.345 41.895 42.059 0.302 0.000 1.193 341 L HN -0.339 nan 8.230 nan 0.000 0.502 342 T N 0.926 115.646 114.554 0.276 0.000 2.871 342 T HA 0.225 4.575 4.350 -0.000 0.000 0.296 342 T C 1.258 176.024 174.700 0.111 0.000 0.998 342 T CA 1.229 63.439 62.100 0.183 0.000 1.162 342 T CB 0.806 69.730 68.868 0.092 0.000 0.947 342 T HN 0.616 nan 8.240 nan 0.000 0.536 343 G N 2.477 111.316 108.800 0.066 0.000 2.253 343 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 343 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 343 G C 0.689 175.623 174.900 0.056 0.000 0.998 343 G CA -0.021 45.101 45.100 0.037 0.000 0.621 343 G HN 0.590 nan 8.290 nan 0.000 0.524 344 L N 0.547 121.834 121.223 0.107 0.000 2.513 344 L HA 0.795 5.135 4.340 -0.000 0.000 0.222 344 L C 1.460 178.393 176.870 0.105 0.000 1.096 344 L CA 1.371 56.270 54.840 0.099 0.000 0.857 344 L CB -0.267 41.868 42.059 0.126 0.000 1.026 344 L HN 1.080 nan 8.230 nan 0.000 0.469 345 A N -1.258 121.667 122.820 0.174 0.000 2.599 345 A HA 0.748 5.068 4.320 -0.000 0.000 0.290 345 A C -1.155 176.553 177.584 0.207 0.000 1.101 345 A CA -0.537 51.623 52.037 0.205 0.000 0.674 345 A CB 1.358 20.547 19.000 0.314 0.000 1.277 345 A HN 0.060 nan 8.150 nan 0.000 0.419 346 E N -0.904 119.395 120.200 0.165 0.000 2.383 346 E HA 0.630 4.980 4.350 -0.000 0.000 0.275 346 E C -1.779 174.906 176.600 0.141 0.000 0.918 346 E CA -0.405 55.939 56.400 -0.094 0.000 0.764 346 E CB 2.352 31.943 29.700 -0.182 0.000 1.252 346 E HN 0.787 nan 8.360 nan 0.000 0.449 347 W N 0.215 121.453 121.300 -0.102 0.000 3.363 347 W HA 0.444 5.104 4.660 -0.000 0.000 0.306 347 W C -1.298 175.149 176.519 -0.120 0.000 1.253 347 W CA -0.755 56.551 57.345 -0.065 0.000 1.195 347 W CB 0.397 29.897 29.460 0.067 0.000 1.366 347 W HN 0.354 nan 8.180 nan 0.000 0.551 348 H N 1.603 120.870 119.070 0.328 0.000 2.481 348 H HA 0.360 4.916 4.556 -0.000 0.000 0.339 348 H C 0.072 175.587 175.328 0.312 0.000 1.131 348 H CA -0.762 55.421 56.048 0.225 0.000 1.301 348 H CB 2.354 32.244 29.762 0.214 0.000 1.476 348 H HN 0.512 nan 8.280 nan 0.000 0.529 349 V N 4.725 124.845 119.914 0.344 0.000 2.485 349 V HA 0.085 4.205 4.120 -0.000 0.000 0.287 349 V C -2.106 174.146 176.094 0.263 0.000 1.022 349 V CA -1.171 61.286 62.300 0.263 0.000 1.067 349 V CB 0.202 32.118 31.823 0.154 0.000 0.967 349 V HN 0.609 nan 8.190 nan 0.000 0.479 350 P HA 0.182 nan 4.420 nan 0.000 0.264 350 P C 0.204 177.729 177.300 0.376 0.000 1.193 350 P CA 0.312 63.615 63.100 0.337 0.000 0.763 350 P CB 1.082 33.061 31.700 0.466 0.000 0.810 351 A N 2.764 125.745 122.820 0.267 0.000 2.081 351 A HA 0.486 4.806 4.320 -0.000 0.000 0.214 351 A C 0.888 178.526 177.584 0.090 0.000 1.158 351 A CA 1.392 53.558 52.037 0.215 0.000 0.724 351 A CB -0.204 18.849 19.000 0.088 0.000 0.826 351 A HN 0.635 nan 8.150 nan 0.000 0.463 352 A N -3.540 119.245 122.820 -0.059 0.000 2.586 352 A HA 0.652 4.972 4.320 -0.000 0.000 0.290 352 A C 0.581 177.946 177.584 -0.366 0.000 1.086 352 A CA 0.077 51.773 52.037 -0.569 0.000 0.665 352 A CB -0.230 18.571 19.000 -0.332 0.000 1.279 352 A HN 2.075 nan 8.150 nan 0.000 0.423 353 G N -0.290 108.195 108.800 -0.525 0.000 2.498 353 G HA2 0.053 4.013 3.960 -0.000 0.000 0.245 353 G HA3 0.053 4.013 3.960 -0.000 0.000 0.245 353 G C 0.526 175.211 174.900 -0.358 0.000 1.204 353 G CA 1.145 45.940 45.100 -0.507 0.000 0.933 353 G HN 2.348 nan 8.290 nan 0.000 0.574 354 M N -2.157 116.951 119.600 -0.821 0.000 2.414 354 M HA 0.655 5.135 4.480 -0.000 0.000 0.393 354 M C -0.609 174.613 176.300 -1.796 0.000 1.055 354 M CA -0.155 54.312 55.300 -1.388 0.000 0.937 354 M CB 0.770 32.801 32.600 -0.949 0.000 1.631 354 M HN 0.276 nan 8.290 nan 0.000 0.567 355 F N 1.826 121.471 119.950 -0.509 0.000 2.532 355 F HA 0.719 5.246 4.527 0.000 0.000 0.321 355 F C -0.720 175.284 175.800 0.340 0.000 1.089 355 F CA -1.378 56.562 58.000 -0.101 0.000 0.926 355 F CB 1.842 40.780 39.000 -0.104 0.000 1.168 355 F HN -0.025 nan 8.300 nan 0.000 0.459 356 L N 3.816 125.414 121.223 0.625 0.000 2.296 356 L HA 0.432 4.772 4.340 -0.000 0.000 0.286 356 L C -1.404 175.781 176.870 0.526 0.000 1.023 356 L CA -0.740 54.417 54.840 0.529 0.000 0.812 356 L CB 1.195 43.492 42.059 0.397 0.000 1.223 356 L HN 0.742 nan 8.230 nan 0.000 0.421 357 W N 8.253 129.716 121.300 0.272 0.000 2.361 357 W HA 0.545 5.205 4.660 -0.000 0.000 0.314 357 W C -1.576 175.158 176.519 0.359 0.000 1.041 357 W CA -0.891 56.601 57.345 0.245 0.000 1.241 357 W CB 1.338 30.895 29.460 0.162 0.000 1.279 357 W HN 0.408 nan 8.180 nan 0.000 0.436 358 I N 6.221 126.876 120.570 0.142 0.000 2.389 358 I HA 0.199 4.369 4.170 -0.000 0.000 0.288 358 I C 0.014 176.070 176.117 -0.102 0.000 0.999 358 I CA -0.709 60.668 61.300 0.128 0.000 1.129 358 I CB 1.986 40.058 38.000 0.120 0.000 1.288 358 I HN 0.254 nan 8.210 nan 0.000 0.444 359 K N 6.513 126.828 120.400 -0.141 0.000 2.264 359 K HA 0.418 4.738 4.320 -0.000 0.000 0.277 359 K C -0.878 175.571 176.600 -0.252 0.000 1.067 359 K CA -0.516 55.447 56.287 -0.540 0.000 0.900 359 K CB 0.936 33.030 32.500 -0.676 0.000 1.124 359 K HN 0.405 nan 8.250 nan 0.000 0.469 360 V N 5.375 125.144 119.914 -0.243 0.000 2.521 360 V HA 0.042 4.162 4.120 -0.000 0.000 0.286 360 V C 0.284 176.305 176.094 -0.121 0.000 1.034 360 V CA -0.171 62.060 62.300 -0.115 0.000 1.045 360 V CB 0.523 32.290 31.823 -0.094 0.000 0.974 360 V HN 0.731 nan 8.190 nan 0.000 0.480 361 K N 3.300 123.663 120.400 -0.062 0.000 2.237 361 K HA 0.475 4.795 4.320 -0.000 0.000 0.270 361 K C 1.226 177.799 176.600 -0.046 0.000 1.015 361 K CA 0.452 56.705 56.287 -0.058 0.000 0.949 361 K CB 0.711 33.192 32.500 -0.032 0.000 0.976 361 K HN 1.031 nan 8.250 nan 0.000 0.472 362 G N 1.780 110.552 108.800 -0.047 0.000 2.168 362 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.257 362 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.257 362 G C -0.052 174.826 174.900 -0.037 0.000 0.997 362 G CA -0.108 44.971 45.100 -0.034 0.000 0.708 362 G HN 0.430 nan 8.290 nan 0.000 0.520 363 I N 0.776 121.314 120.570 -0.052 0.000 2.468 363 I HA 0.221 4.391 4.170 -0.000 0.000 0.285 363 I C 1.022 177.102 176.117 -0.063 0.000 1.039 363 I CA -0.810 60.460 61.300 -0.050 0.000 1.074 363 I CB 1.087 39.056 38.000 -0.051 0.000 1.228 363 I HN 0.151 nan 8.210 nan 0.000 0.436 364 N N 3.507 122.179 118.700 -0.047 0.000 2.142 364 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 364 N C -0.214 175.269 175.510 -0.044 0.000 1.023 364 N CA 1.209 54.232 53.050 -0.045 0.000 0.852 364 N CB 0.532 39.000 38.487 -0.031 0.000 0.998 364 N HN 0.648 nan 8.380 nan 0.000 0.424 365 D N -0.204 120.175 120.400 -0.035 0.000 2.763 365 D HA 0.099 4.739 4.640 -0.000 0.000 0.235 365 D C -0.359 175.930 176.300 -0.018 0.000 1.334 365 D CA -0.376 53.611 54.000 -0.021 0.000 0.950 365 D CB 1.931 42.722 40.800 -0.015 0.000 1.433 365 D HN -0.158 nan 8.370 nan 0.000 0.580 366 V N 4.629 124.536 119.914 -0.012 0.000 3.647 366 V HA 0.088 4.208 4.120 -0.000 0.000 0.279 366 V C 2.054 178.149 176.094 0.002 0.000 1.314 366 V CA 0.781 63.073 62.300 -0.014 0.000 1.125 366 V CB -0.198 31.609 31.823 -0.027 0.000 0.907 366 V HN 0.497 nan 8.190 nan 0.000 0.434 367 K N 0.555 120.962 120.400 0.012 0.000 2.032 367 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 367 K C 2.066 178.669 176.600 0.004 0.000 1.048 367 K CA 2.385 58.682 56.287 0.016 0.000 0.927 367 K CB -0.130 32.381 32.500 0.018 0.000 0.712 367 K HN 0.650 nan 8.250 nan 0.000 0.441 368 E N 0.284 120.483 120.200 -0.003 0.000 2.051 368 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 368 E C 2.055 178.648 176.600 -0.012 0.000 0.991 368 E CA 1.115 57.511 56.400 -0.007 0.000 0.799 368 E CB -0.123 29.572 29.700 -0.009 0.000 0.748 368 E HN 0.248 nan 8.360 nan 0.000 0.449 369 L N 0.863 122.077 121.223 -0.015 0.000 2.021 369 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 369 L C 2.121 178.977 176.870 -0.024 0.000 1.074 369 L CA 1.866 56.693 54.840 -0.022 0.000 0.760 369 L CB -0.304 41.738 42.059 -0.028 0.000 0.889 369 L HN 0.261 nan 8.230 nan 0.000 0.433 370 I N -0.947 119.613 120.570 -0.016 0.000 2.235 370 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 370 I C 2.285 178.397 176.117 -0.010 0.000 1.085 370 I CA 1.378 62.670 61.300 -0.015 0.000 1.378 370 I CB -0.408 37.592 38.000 0.000 0.000 1.076 370 I HN 0.236 nan 8.210 nan 0.000 0.415 371 E N 0.363 120.561 120.200 -0.003 0.000 2.285 371 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 371 E C 1.801 178.397 176.600 -0.006 0.000 0.997 371 E CA 0.685 57.084 56.400 -0.002 0.000 0.845 371 E CB 0.081 29.783 29.700 0.003 0.000 0.782 371 E HN 0.534 nan 8.360 nan 0.000 0.491 372 E N 0.642 120.836 120.200 -0.009 0.000 2.132 372 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 372 E C 1.817 178.407 176.600 -0.015 0.000 0.951 372 E CA 0.414 56.807 56.400 -0.011 0.000 0.843 372 E CB 0.276 29.969 29.700 -0.011 0.000 0.807 372 E HN 0.081 nan 8.360 nan 0.000 0.467 373 K N 0.636 121.024 120.400 -0.020 0.000 2.190 373 K HA 0.198 4.518 4.320 -0.000 0.000 0.202 373 K C 2.191 178.772 176.600 -0.032 0.000 1.045 373 K CA 0.657 56.929 56.287 -0.025 0.000 0.976 373 K CB 0.123 32.607 32.500 -0.027 0.000 0.849 373 K HN -0.058 nan 8.250 nan 0.000 0.468 374 A N 2.017 124.814 122.820 -0.037 0.000 1.898 374 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 374 A C 2.450 180.011 177.584 -0.039 0.000 1.181 374 A CA 1.750 53.758 52.037 -0.048 0.000 0.620 374 A CB -0.966 18.000 19.000 -0.058 0.000 0.819 374 A HN 0.147 nan 8.150 nan 0.000 0.442 375 V N -1.129 118.770 119.914 -0.026 0.000 2.282 375 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 375 V C 2.260 178.342 176.094 -0.020 0.000 1.057 375 V CA 2.677 64.966 62.300 -0.018 0.000 1.032 375 V CB -1.151 30.666 31.823 -0.010 0.000 0.645 375 V HN 0.470 nan 8.190 nan 0.000 0.447 376 K N -0.470 119.918 120.400 -0.021 0.000 2.281 376 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 376 K C 1.830 178.414 176.600 -0.025 0.000 1.046 376 K CA 1.505 57.780 56.287 -0.020 0.000 0.938 376 K CB -0.195 32.294 32.500 -0.019 0.000 0.737 376 K HN 0.463 nan 8.250 nan 0.000 0.458 377 M N -0.904 118.676 119.600 -0.034 0.000 2.431 377 M HA 0.239 4.719 4.480 -0.000 0.000 0.237 377 M C 0.799 177.073 176.300 -0.043 0.000 1.130 377 M CA 0.742 56.017 55.300 -0.042 0.000 1.002 377 M CB 0.281 32.847 32.600 -0.057 0.000 1.524 377 M HN 0.344 nan 8.290 nan 0.000 0.482 378 G N 1.843 110.623 108.800 -0.033 0.000 2.147 378 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.244 378 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.244 378 G C 0.026 174.905 174.900 -0.035 0.000 1.005 378 G CA 0.385 45.468 45.100 -0.028 0.000 0.713 378 G HN 0.585 nan 8.290 nan 0.000 0.515 379 V N -2.314 117.572 119.914 -0.046 0.000 2.709 379 V HA 0.888 5.008 4.120 -0.000 0.000 0.308 379 V C -0.040 176.025 176.094 -0.049 0.000 1.062 379 V CA -1.499 60.766 62.300 -0.057 0.000 0.901 379 V CB 2.156 33.920 31.823 -0.098 0.000 1.003 379 V HN 0.389 nan 8.190 nan 0.000 0.425 380 L N 5.430 126.633 121.223 -0.033 0.000 2.341 380 L HA 0.751 5.091 4.340 -0.000 0.000 0.278 380 L C -0.282 176.580 176.870 -0.013 0.000 1.005 380 L CA -0.512 54.321 54.840 -0.012 0.000 0.818 380 L CB 2.040 44.109 42.059 0.018 0.000 1.259 380 L HN 0.636 nan 8.230 nan 0.000 0.418 381 M N 3.139 122.735 119.600 -0.007 0.000 2.631 381 M HA 0.461 4.941 4.480 -0.000 0.000 0.288 381 M C -1.389 174.954 176.300 0.072 0.000 1.260 381 M CA -0.878 54.437 55.300 0.026 0.000 0.842 381 M CB 3.174 35.755 32.600 -0.031 0.000 1.743 381 M HN 0.304 nan 8.290 nan 0.000 0.461 382 L N 3.074 124.377 121.223 0.134 0.000 2.275 382 L HA 0.557 4.897 4.340 -0.000 0.000 0.288 382 L C -2.486 174.518 176.870 0.223 0.000 1.046 382 L CA -1.429 53.518 54.840 0.178 0.000 0.805 382 L CB 0.970 43.172 42.059 0.239 0.000 1.193 382 L HN 0.260 nan 8.230 nan 0.000 0.426 383 P HA 0.141 nan 4.420 nan 0.000 0.267 383 P C 0.447 177.960 177.300 0.355 0.000 1.200 383 P CA 0.037 63.252 63.100 0.193 0.000 0.772 383 P CB 0.650 32.423 31.700 0.120 0.000 0.855 384 G N 1.909 110.955 108.800 0.409 0.000 2.744 384 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.211 384 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.211 384 G C 1.076 176.441 174.900 0.774 0.000 1.143 384 G CA 0.126 45.695 45.100 0.783 0.000 0.788 384 G HN 0.434 nan 8.290 nan 0.000 0.534 385 N N 1.531 120.483 118.700 0.421 0.000 2.184 385 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 385 N C 2.191 177.829 175.510 0.213 0.000 1.011 385 N CA 1.417 54.645 53.050 0.296 0.000 0.867 385 N CB -0.199 38.364 38.487 0.126 0.000 0.993 385 N HN 0.333 nan 8.380 nan 0.000 0.433 386 A N -0.646 122.150 122.820 -0.039 0.000 2.167 386 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 386 A C 0.879 178.132 177.584 -0.552 0.000 1.151 386 A CA 0.455 52.259 52.037 -0.388 0.000 0.735 386 A CB -0.508 18.089 19.000 -0.672 0.000 0.802 386 A HN 0.286 nan 8.150 nan 0.000 0.467 387 F N -1.873 118.098 119.950 0.035 0.000 2.645 387 F HA 0.325 4.852 4.527 -0.000 0.000 0.300 387 F C -0.226 175.315 175.800 -0.432 0.000 1.115 387 F CA -0.189 57.677 58.000 -0.222 0.000 1.355 387 F CB -0.100 38.685 39.000 -0.358 0.000 1.026 387 F HN 0.116 nan 8.300 nan 0.000 0.536 388 Y N -2.023 118.332 120.300 0.091 0.000 2.536 388 Y HA 0.347 4.897 4.550 -0.000 0.000 0.347 388 Y C 0.923 176.825 175.900 0.004 0.000 1.000 388 Y CA -1.220 56.922 58.100 0.070 0.000 1.051 388 Y CB 1.365 39.885 38.460 0.099 0.000 1.259 388 Y HN -0.318 nan 8.280 nan 0.000 0.468 389 V N 0.020 120.025 119.914 0.151 0.000 2.332 389 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 389 V C 0.554 176.674 176.094 0.043 0.000 1.055 389 V CA 2.071 64.404 62.300 0.055 0.000 1.038 389 V CB -0.270 31.580 31.823 0.046 0.000 0.651 389 V HN 0.722 nan 8.190 nan 0.000 0.450 390 D N -0.232 120.219 120.400 0.085 0.000 2.468 390 D HA 0.132 4.772 4.640 -0.000 0.000 0.218 390 D C 1.333 177.667 176.300 0.057 0.000 1.155 390 D CA 0.560 54.585 54.000 0.043 0.000 0.924 390 D CB 0.969 41.788 40.800 0.030 0.000 1.029 390 D HN 0.352 nan 8.370 nan 0.000 0.515 391 S N 1.104 116.821 115.700 0.027 0.000 2.489 391 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 391 S C 1.751 176.359 174.600 0.014 0.000 0.995 391 S CA 0.227 58.449 58.200 0.036 0.000 0.934 391 S CB 0.121 63.307 63.200 -0.023 0.000 0.771 391 S HN 0.211 nan 8.310 nan 0.000 0.522 392 S N 1.716 117.412 115.700 -0.006 0.000 2.453 392 S HA 0.392 4.862 4.470 -0.000 0.000 0.231 392 S C 1.118 175.711 174.600 -0.013 0.000 1.005 392 S CA 0.453 58.647 58.200 -0.012 0.000 0.949 392 S CB -0.462 62.728 63.200 -0.017 0.000 0.774 392 S HN 0.824 nan 8.310 nan 0.000 0.510 393 A N 3.063 125.870 122.820 -0.021 0.000 2.445 393 A HA 0.435 4.755 4.320 -0.000 0.000 0.242 393 A C -2.199 175.357 177.584 -0.047 0.000 1.075 393 A CA -1.164 50.847 52.037 -0.043 0.000 0.777 393 A CB -0.207 18.748 19.000 -0.075 0.000 1.013 393 A HN 0.159 nan 8.150 nan 0.000 0.493 394 P HA 0.283 nan 4.420 nan 0.000 0.274 394 P C -0.502 176.772 177.300 -0.044 0.000 1.237 394 P CA -0.152 62.929 63.100 -0.031 0.000 0.793 394 P CB 1.238 32.921 31.700 -0.029 0.000 0.977 395 S N 1.205 116.905 115.700 -0.001 0.000 2.575 395 S HA 0.484 4.954 4.470 -0.000 0.000 0.278 395 S C -2.255 172.353 174.600 0.013 0.000 1.139 395 S CA -1.658 56.569 58.200 0.045 0.000 0.954 395 S CB 1.507 64.809 63.200 0.170 0.000 1.054 395 S HN 0.259 nan 8.310 nan 0.000 0.483 396 P HA 0.144 nan 4.420 nan 0.000 0.249 396 P C -0.527 176.561 177.300 -0.353 0.000 1.229 396 P CA 0.133 63.099 63.100 -0.223 0.000 0.788 396 P CB -0.124 31.376 31.700 -0.333 0.000 1.072 397 Y N 0.114 120.279 120.300 -0.224 0.000 2.376 397 Y HA 0.455 5.005 4.550 -0.000 0.000 0.325 397 Y C 0.868 176.548 175.900 -0.367 0.000 1.199 397 Y CA -0.651 57.127 58.100 -0.537 0.000 1.206 397 Y CB 1.145 38.838 38.460 -1.279 0.000 1.229 397 Y HN -0.285 nan 8.280 nan 0.000 0.480 398 L N 2.967 124.076 121.223 -0.190 0.000 2.386 398 L HA 0.548 4.888 4.340 -0.000 0.000 0.271 398 L C -0.451 176.509 176.870 0.151 0.000 0.993 398 L CA -0.885 53.967 54.840 0.018 0.000 0.819 398 L CB 2.097 44.163 42.059 0.013 0.000 1.294 398 L HN 0.506 nan 8.230 nan 0.000 0.414 399 R N 2.364 123.061 120.500 0.328 0.000 2.229 399 R HA 0.739 5.079 4.340 -0.000 0.000 0.328 399 R C -0.904 175.570 176.300 0.289 0.000 1.009 399 R CA -0.324 56.004 56.100 0.380 0.000 0.864 399 R CB 1.288 31.731 30.300 0.238 0.000 1.085 399 R HN 0.740 nan 8.270 nan 0.000 0.453 400 A N 3.276 126.302 122.820 0.344 0.000 2.303 400 A HA 0.315 4.635 4.320 -0.000 0.000 0.320 400 A C -0.537 177.309 177.584 0.437 0.000 1.192 400 A CA -0.532 51.701 52.037 0.328 0.000 0.821 400 A CB 1.699 20.883 19.000 0.305 0.000 1.188 400 A HN 0.672 nan 8.150 nan 0.000 0.492 401 S N 1.331 117.263 115.700 0.386 0.000 2.545 401 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 401 S C 0.174 174.892 174.600 0.197 0.000 1.299 401 S CA -0.424 57.922 58.200 0.243 0.000 1.048 401 S CB -0.154 63.175 63.200 0.216 0.000 0.938 401 S HN 1.007 nan 8.310 nan 0.000 0.496 402 F N 2.707 122.722 119.950 0.109 0.000 2.647 402 F HA 0.339 4.866 4.527 -0.000 0.000 0.300 402 F C 1.548 177.378 175.800 0.049 0.000 1.106 402 F CA -0.299 57.742 58.000 0.068 0.000 1.313 402 F CB -0.797 38.217 39.000 0.024 0.000 1.007 402 F HN 0.525 nan 8.300 nan 0.000 0.536 403 S N -1.111 114.606 115.700 0.029 0.000 2.428 403 S HA -0.043 4.427 4.470 -0.000 0.000 0.230 403 S C 1.557 176.240 174.600 0.138 0.000 1.014 403 S CA 1.169 59.439 58.200 0.116 0.000 0.957 403 S CB -0.378 62.941 63.200 0.199 0.000 0.784 403 S HN 0.350 nan 8.310 nan 0.000 0.499 404 S N 0.468 116.252 115.700 0.141 0.000 2.818 404 S HA 0.588 5.058 4.470 -0.000 0.000 0.251 404 S C 0.741 175.420 174.600 0.133 0.000 1.083 404 S CA 0.043 58.332 58.200 0.147 0.000 0.871 404 S CB 0.235 63.506 63.200 0.118 0.000 0.831 404 S HN 0.727 nan 8.310 nan 0.000 0.470 405 A N 2.783 125.677 122.820 0.123 0.000 2.445 405 A HA 0.564 4.883 4.320 -0.000 0.000 0.242 405 A C 0.667 178.303 177.584 0.087 0.000 1.075 405 A CA -0.259 51.842 52.037 0.106 0.000 0.777 405 A CB 0.072 19.144 19.000 0.120 0.000 1.013 405 A HN 0.473 nan 8.150 nan 0.000 0.493 406 S N 2.120 117.864 115.700 0.074 0.000 2.614 406 S HA 0.357 4.827 4.470 -0.000 0.000 0.265 406 S C -1.936 172.692 174.600 0.046 0.000 1.303 406 S CA -0.771 57.462 58.200 0.055 0.000 1.000 406 S CB 0.376 63.607 63.200 0.052 0.000 0.935 406 S HN 0.445 nan 8.310 nan 0.000 0.551 407 P HA -0.117 nan 4.420 nan 0.000 0.216 407 P C 0.990 178.321 177.300 0.051 0.000 1.150 407 P CA 1.410 64.522 63.100 0.021 0.000 0.843 407 P CB -0.059 31.641 31.700 0.001 0.000 0.787 408 E N -0.431 119.799 120.200 0.051 0.000 2.077 408 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 408 E C 2.176 178.817 176.600 0.069 0.000 0.989 408 E CA 1.162 57.598 56.400 0.060 0.000 0.800 408 E CB -0.836 28.891 29.700 0.046 0.000 0.746 408 E HN 0.380 nan 8.360 nan 0.000 0.452 409 Q N -0.191 119.649 119.800 0.066 0.000 2.084 409 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 409 Q C 2.186 178.248 176.000 0.103 0.000 0.978 409 Q CA 1.444 57.288 55.803 0.068 0.000 0.844 409 Q CB -0.132 28.646 28.738 0.067 0.000 0.898 409 Q HN 0.353 nan 8.270 nan 0.000 0.426 410 M N 0.014 119.700 119.600 0.144 0.000 2.175 410 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 410 M C 1.628 178.114 176.300 0.311 0.000 1.063 410 M CA 1.329 56.786 55.300 0.263 0.000 1.119 410 M CB -0.208 32.501 32.600 0.182 0.000 1.377 410 M HN 0.142 nan 8.290 nan 0.000 0.415 411 D N 0.289 120.811 120.400 0.203 0.000 2.087 411 D HA -0.148 4.492 4.640 -0.000 0.000 0.192 411 D C 1.809 178.163 176.300 0.090 0.000 0.993 411 D CA 1.461 55.611 54.000 0.250 0.000 0.828 411 D CB 0.032 40.971 40.800 0.233 0.000 0.968 411 D HN 0.048 nan 8.370 nan 0.000 0.448 412 V N 0.819 120.748 119.914 0.025 0.000 2.282 412 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 412 V C 2.541 178.551 176.094 -0.139 0.000 1.057 412 V CA 2.096 64.348 62.300 -0.081 0.000 1.032 412 V CB -1.065 30.734 31.823 -0.040 0.000 0.645 412 V HN 0.373 nan 8.190 nan 0.000 0.447 413 A N -0.959 121.824 122.820 -0.062 0.000 1.930 413 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 413 A C 2.017 179.434 177.584 -0.278 0.000 1.175 413 A CA 1.721 53.666 52.037 -0.153 0.000 0.627 413 A CB -0.628 18.291 19.000 -0.135 0.000 0.815 413 A HN 0.484 nan 8.150 nan 0.000 0.443 414 F N 0.417 120.266 119.950 -0.169 0.000 2.293 414 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 414 F C 2.756 178.300 175.800 -0.426 0.000 1.089 414 F CA 1.503 59.410 58.000 -0.156 0.000 1.377 414 F CB -0.368 38.666 39.000 0.058 0.000 1.051 414 F HN 0.469 nan 8.300 nan 0.000 0.511 415 Q N -0.067 119.191 119.800 -0.903 0.000 2.084 415 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 415 Q C 1.910 177.555 176.000 -0.591 0.000 0.978 415 Q CA 2.059 57.029 55.803 -1.387 0.000 0.844 415 Q CB -1.195 26.382 28.738 -1.934 0.000 0.898 415 Q HN 0.246 nan 8.270 nan 0.000 0.426 416 V N 1.267 120.939 119.914 -0.403 0.000 2.295 416 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 416 V C 2.343 178.323 176.094 -0.189 0.000 1.049 416 V CA 1.739 63.892 62.300 -0.245 0.000 1.024 416 V CB -0.658 31.053 31.823 -0.187 0.000 0.648 416 V HN 0.471 nan 8.190 nan 0.000 0.447 417 L N 0.042 121.141 121.223 -0.206 0.000 2.017 417 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 417 L C 2.626 179.449 176.870 -0.078 0.000 1.073 417 L CA 2.120 56.866 54.840 -0.157 0.000 0.745 417 L CB -0.696 41.223 42.059 -0.233 0.000 0.894 417 L HN 0.383 nan 8.230 nan 0.000 0.432 418 A N -0.586 122.211 122.820 -0.039 0.000 1.908 418 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 418 A C 2.211 179.806 177.584 0.019 0.000 1.181 418 A CA 2.065 54.135 52.037 0.056 0.000 0.627 418 A CB -0.745 18.368 19.000 0.188 0.000 0.818 418 A HN 0.665 nan 8.150 nan 0.000 0.445 419 Q N -0.328 119.447 119.800 -0.042 0.000 2.050 419 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 419 Q C 2.053 178.037 176.000 -0.026 0.000 0.980 419 Q CA 1.701 57.484 55.803 -0.034 0.000 0.840 419 Q CB -0.236 28.456 28.738 -0.075 0.000 0.898 419 Q HN 0.684 nan 8.270 nan 0.000 0.424 420 L N 0.357 121.554 121.223 -0.043 0.000 2.093 420 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 420 L C 2.500 179.356 176.870 -0.023 0.000 1.085 420 L CA 0.679 55.498 54.840 -0.036 0.000 0.755 420 L CB -0.369 41.660 42.059 -0.050 0.000 0.904 420 L HN 0.269 nan 8.230 nan 0.000 0.435 421 I N 0.045 120.605 120.570 -0.016 0.000 2.127 421 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 421 I C 2.563 178.682 176.117 0.004 0.000 1.075 421 I CA 1.618 62.916 61.300 -0.004 0.000 1.334 421 I CB -0.310 37.698 38.000 0.012 0.000 1.040 421 I HN 0.203 nan 8.210 nan 0.000 0.405 422 K N 0.553 120.962 120.400 0.014 0.000 2.097 422 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 422 K C 1.922 178.526 176.600 0.007 0.000 1.049 422 K CA 1.420 57.717 56.287 0.018 0.000 0.933 422 K CB -0.189 32.330 32.500 0.032 0.000 0.717 422 K HN 0.387 nan 8.250 nan 0.000 0.442 423 E N 0.281 120.481 120.200 0.000 0.000 2.333 423 E HA -0.101 4.249 4.350 -0.000 0.000 0.198 423 E C 1.571 178.167 176.600 -0.007 0.000 1.007 423 E CA 0.798 57.195 56.400 -0.005 0.000 0.845 423 E CB 0.123 29.817 29.700 -0.011 0.000 0.766 423 E HN 0.157 nan 8.360 nan 0.000 0.507 424 S N 0.266 115.962 115.700 -0.008 0.000 2.503 424 S HA 0.094 4.564 4.470 -0.000 0.000 0.217 424 S C 0.963 175.558 174.600 -0.008 0.000 0.999 424 S CA -0.002 58.192 58.200 -0.010 0.000 0.914 424 S CB 0.277 63.468 63.200 -0.015 0.000 0.782 424 S HN 0.079 nan 8.310 nan 0.000 0.520 425 L N 0.000 121.220 121.223 -0.005 0.000 2.949 425 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 425 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 425 L CB 0.000 42.059 42.059 0.001 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502