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_D 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 0.000 176.073 176.300 -0.379 0.000 1.140 1 M CA 0.000 55.115 55.300 -0.308 0.000 0.988 1 M CB 0.000 32.523 32.600 -0.129 0.000 1.302 2 N N 0.665 119.211 118.700 -0.258 0.000 2.801 2 N HA 0.219 4.959 4.740 -0.000 0.000 0.235 2 N C -0.100 175.403 175.510 -0.011 0.000 1.069 2 N CA -0.084 52.887 53.050 -0.131 0.000 0.946 2 N CB 0.511 38.948 38.487 -0.082 0.000 1.212 2 N HN 0.288 nan 8.380 nan 0.000 0.509 3 Y N 1.833 122.264 120.300 0.218 0.000 2.242 3 Y HA -0.140 4.410 4.550 -0.000 0.000 0.291 3 Y C 2.525 178.572 175.900 0.245 0.000 1.137 3 Y CA 1.047 59.331 58.100 0.307 0.000 1.181 3 Y CB 0.096 38.662 38.460 0.178 0.000 0.989 3 Y HN 0.650 nan 8.280 nan 0.000 0.527 4 A N 1.300 124.261 122.820 0.236 0.000 2.042 4 A HA -0.293 4.027 4.320 -0.000 0.000 0.222 4 A C 2.180 179.774 177.584 0.016 0.000 1.167 4 A CA 2.124 54.230 52.037 0.114 0.000 0.649 4 A CB -0.766 18.268 19.000 0.058 0.000 0.809 4 A HN 0.646 nan 8.150 nan 0.000 0.457 5 R N -1.974 118.442 120.500 -0.141 0.000 2.235 5 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 5 R C 0.521 176.570 176.300 -0.418 0.000 1.059 5 R CA 1.239 57.108 56.100 -0.386 0.000 0.997 5 R CB -0.464 29.474 30.300 -0.604 0.000 0.884 5 R HN 0.459 nan 8.270 nan 0.000 0.462 6 F N 1.123 121.136 119.950 0.105 0.000 2.639 6 F HA 0.450 4.977 4.527 -0.000 0.000 0.300 6 F C 0.138 176.011 175.800 0.122 0.000 1.109 6 F CA -0.500 57.581 58.000 0.134 0.000 1.335 6 F CB 0.596 39.704 39.000 0.179 0.000 1.014 6 F HN -0.126 nan 8.300 nan 0.000 0.537 7 I N -0.369 120.325 120.570 0.207 0.000 2.500 7 I HA 0.149 4.319 4.170 -0.000 0.000 0.286 7 I C 0.262 176.433 176.117 0.090 0.000 1.063 7 I CA -0.458 60.933 61.300 0.152 0.000 1.062 7 I CB 1.892 39.977 38.000 0.142 0.000 1.223 7 I HN -0.209 nan 8.210 nan 0.000 0.435 8 T N 3.487 118.090 114.554 0.082 0.000 2.795 8 T HA 0.159 4.508 4.350 -0.000 0.000 0.314 8 T C 1.291 176.009 174.700 0.030 0.000 1.069 8 T CA 0.581 62.712 62.100 0.052 0.000 1.071 8 T CB 1.274 70.178 68.868 0.059 0.000 0.988 8 T HN 0.749 nan 8.240 nan 0.000 0.543 9 A N 2.201 125.031 122.820 0.016 0.000 1.898 9 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 9 A C 2.547 180.130 177.584 -0.001 0.000 1.181 9 A CA 1.793 53.835 52.037 0.007 0.000 0.620 9 A CB -1.145 17.857 19.000 0.003 0.000 0.819 9 A HN 0.925 nan 8.150 nan 0.000 0.442 10 A N -0.717 122.098 122.820 -0.008 0.000 1.877 10 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 10 A C 2.501 180.061 177.584 -0.040 0.000 1.186 10 A CA 2.253 54.273 52.037 -0.028 0.000 0.620 10 A CB -1.073 17.905 19.000 -0.037 0.000 0.822 10 A HN 0.552 nan 8.150 nan 0.000 0.443 11 S N -0.433 115.252 115.700 -0.025 0.000 2.359 11 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 11 S C 2.213 176.812 174.600 -0.001 0.000 1.035 11 S CA 1.681 59.870 58.200 -0.019 0.000 1.018 11 S CB -0.561 62.652 63.200 0.021 0.000 0.876 11 S HN 0.896 nan 8.310 nan 0.000 0.448 12 A N 1.187 124.016 122.820 0.015 0.000 1.986 12 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 12 A C 2.377 179.965 177.584 0.006 0.000 1.171 12 A CA 2.021 54.069 52.037 0.019 0.000 0.640 12 A CB -1.237 17.777 19.000 0.024 0.000 0.811 12 A HN 0.790 nan 8.150 nan 0.000 0.451 13 A N -0.327 122.490 122.820 -0.005 0.000 2.066 13 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 13 A C 1.329 178.904 177.584 -0.015 0.000 1.157 13 A CA 0.062 52.093 52.037 -0.010 0.000 0.670 13 A CB -0.281 18.710 19.000 -0.015 0.000 0.804 13 A HN 0.556 nan 8.150 nan 0.000 0.453 14 R N 1.669 122.155 120.500 -0.024 0.000 2.504 14 R HA 0.032 4.372 4.340 -0.000 0.000 0.291 14 R C -0.975 175.320 176.300 -0.007 0.000 0.974 14 R CA 0.147 56.233 56.100 -0.023 0.000 1.077 14 R CB -0.070 30.212 30.300 -0.030 0.000 0.926 14 R HN 0.395 nan 8.270 nan 0.000 0.407 15 N N 4.141 122.838 118.700 -0.005 0.000 2.405 15 N HA 0.169 4.909 4.740 -0.000 0.000 0.299 15 N C -1.453 174.058 175.510 0.002 0.000 1.075 15 N CA -1.679 51.370 53.050 -0.000 0.000 0.884 15 N CB 1.315 39.801 38.487 -0.001 0.000 1.194 15 N HN 0.318 nan 8.380 nan 0.000 0.491 16 P HA -0.105 nan 4.420 nan 0.000 0.215 16 P C 0.330 177.631 177.300 0.002 0.000 1.157 16 P CA 1.236 64.338 63.100 0.005 0.000 0.874 16 P CB 0.297 32.000 31.700 0.005 0.000 0.790 17 S N 0.055 115.756 115.700 0.000 0.000 2.596 17 S HA 0.240 4.710 4.470 -0.000 0.000 0.262 17 S C -1.107 173.490 174.600 -0.005 0.000 1.218 17 S CA -0.681 57.518 58.200 -0.002 0.000 0.998 17 S CB -0.475 62.724 63.200 -0.002 0.000 1.060 17 S HN 0.215 nan 8.310 nan 0.000 0.552 18 P HA 0.373 nan 4.420 nan 0.000 0.191 18 P C 1.079 178.373 177.300 -0.010 0.000 1.065 18 P CA -0.059 63.036 63.100 -0.007 0.000 0.904 18 P CB -0.324 31.373 31.700 -0.006 0.000 0.741 19 I N 1.250 121.812 120.570 -0.013 0.000 4.215 19 I HA -0.416 3.754 4.170 -0.000 0.000 0.124 19 I C 2.504 178.612 176.117 -0.015 0.000 0.688 19 I CA 2.908 64.199 61.300 -0.016 0.000 0.823 19 I CB -1.374 36.610 38.000 -0.026 0.000 0.678 19 I HN 0.131 nan 8.210 nan 0.000 0.238 20 R N 0.390 120.878 120.500 -0.019 0.000 2.261 20 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 20 R C 1.418 177.712 176.300 -0.011 0.000 1.141 20 R CA 1.794 57.884 56.100 -0.017 0.000 1.001 20 R CB -1.721 28.567 30.300 -0.021 0.000 0.866 20 R HN 0.703 nan 8.270 nan 0.000 0.468 21 T N -2.403 112.146 114.554 -0.008 0.000 3.252 21 T HA 0.185 4.535 4.350 -0.000 0.000 0.250 21 T C 1.476 176.173 174.700 -0.005 0.000 1.123 21 T CA -0.037 62.060 62.100 -0.005 0.000 1.006 21 T CB 0.189 69.055 68.868 -0.003 0.000 0.992 21 T HN 0.035 nan 8.240 nan 0.000 0.547 22 M N 2.476 122.072 119.600 -0.006 0.000 2.530 22 M HA 0.097 4.577 4.480 -0.000 0.000 0.245 22 M C 2.325 178.623 176.300 -0.005 0.000 1.198 22 M CA 1.535 56.833 55.300 -0.004 0.000 1.225 22 M CB -1.276 31.322 32.600 -0.004 0.000 1.232 22 M HN 0.443 nan 8.290 nan 0.000 0.494 23 T N -0.826 113.725 114.554 -0.005 0.000 3.400 23 T HA -0.045 4.305 4.350 -0.000 0.000 0.254 23 T C 0.779 175.476 174.700 -0.007 0.000 1.153 23 T CA 0.845 62.942 62.100 -0.005 0.000 1.012 23 T CB -0.736 68.130 68.868 -0.003 0.000 0.994 23 T HN 0.349 nan 8.240 nan 0.000 0.555 24 D N 1.373 121.769 120.400 -0.007 0.000 2.240 24 D HA -0.012 4.628 4.640 -0.000 0.000 0.206 24 D C 1.866 178.163 176.300 -0.005 0.000 0.963 24 D CA 0.063 54.059 54.000 -0.007 0.000 0.863 24 D CB -0.530 40.267 40.800 -0.006 0.000 0.973 24 D HN 0.505 nan 8.370 nan 0.000 0.501 25 I N 0.239 120.807 120.570 -0.005 0.000 2.286 25 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 25 I C 2.432 178.546 176.117 -0.005 0.000 1.115 25 I CA 0.588 61.886 61.300 -0.004 0.000 1.392 25 I CB -0.181 37.818 38.000 -0.003 0.000 1.065 25 I HN 0.030 nan 8.210 nan 0.000 0.418 26 L N 0.647 121.867 121.223 -0.005 0.000 2.046 26 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 26 L C 2.509 179.375 176.870 -0.007 0.000 1.077 26 L CA 1.918 56.755 54.840 -0.006 0.000 0.747 26 L CB -0.607 41.449 42.059 -0.005 0.000 0.896 26 L HN 0.087 nan 8.230 nan 0.000 0.432 27 S N 0.483 116.179 115.700 -0.008 0.000 2.469 27 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 27 S C 1.587 176.182 174.600 -0.009 0.000 0.998 27 S CA 1.148 59.343 58.200 -0.010 0.000 0.957 27 S CB -0.423 62.770 63.200 -0.011 0.000 0.764 27 S HN 0.621 nan 8.310 nan 0.000 0.514 28 R N 1.046 121.542 120.500 -0.007 0.000 2.600 28 R HA 0.323 4.663 4.340 -0.000 0.000 0.392 28 R C 0.311 176.608 176.300 -0.006 0.000 1.032 28 R CA 0.025 56.121 56.100 -0.006 0.000 1.139 28 R CB -0.756 29.541 30.300 -0.005 0.000 1.400 28 R HN 0.219 nan 8.270 nan 0.000 0.566 29 G N 1.506 110.302 108.800 -0.006 0.000 2.642 29 G HA2 0.602 4.562 3.960 -0.000 0.000 0.291 29 G HA3 0.602 4.562 3.960 -0.000 0.000 0.291 29 G C -2.486 172.411 174.900 -0.006 0.000 1.345 29 G CA -1.175 43.921 45.100 -0.005 0.000 1.043 29 G HN 0.115 nan 8.290 nan 0.000 0.528 30 P HA 0.328 nan 4.420 nan 0.000 0.272 30 P C 0.199 177.495 177.300 -0.007 0.000 1.223 30 P CA -0.415 62.682 63.100 -0.006 0.000 0.784 30 P CB 1.103 32.800 31.700 -0.005 0.000 0.923 31 K N 0.516 120.912 120.400 -0.007 0.000 2.442 31 K HA -0.084 4.236 4.320 -0.000 0.000 0.198 31 K C 1.695 178.290 176.600 -0.008 0.000 1.042 31 K CA 1.225 57.507 56.287 -0.008 0.000 0.958 31 K CB -0.304 32.191 32.500 -0.009 0.000 0.766 31 K HN 0.523 nan 8.250 nan 0.000 0.474 32 S N -0.192 115.504 115.700 -0.007 0.000 2.522 32 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 32 S C 0.853 175.449 174.600 -0.006 0.000 0.986 32 S CA -0.193 58.003 58.200 -0.006 0.000 0.929 32 S CB -0.347 62.850 63.200 -0.005 0.000 0.769 32 S HN 0.278 nan 8.310 nan 0.000 0.529 33 M N 2.023 121.619 119.600 -0.006 0.000 2.251 33 M HA 0.285 4.765 4.480 -0.000 0.000 0.343 33 M C -1.228 175.069 176.300 -0.005 0.000 1.245 33 M CA 0.439 55.736 55.300 -0.005 0.000 1.061 33 M CB 0.140 32.737 32.600 -0.005 0.000 1.723 33 M HN 0.229 nan 8.290 nan 0.000 0.449 34 I N 3.976 124.543 120.570 -0.005 0.000 2.406 34 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 34 I C -0.421 175.693 176.117 -0.003 0.000 0.999 34 I CA -0.420 60.877 61.300 -0.005 0.000 1.124 34 I CB 1.932 39.929 38.000 -0.004 0.000 1.289 34 I HN 0.617 nan 8.210 nan 0.000 0.441 35 S N 6.565 122.264 115.700 -0.003 0.000 2.478 35 S HA 0.582 5.052 4.470 -0.000 0.000 0.312 35 S C 0.130 174.729 174.600 -0.000 0.000 1.094 35 S CA -0.600 57.599 58.200 -0.001 0.000 1.081 35 S CB 0.860 64.059 63.200 -0.001 0.000 1.007 35 S HN 0.603 nan 8.310 nan 0.000 0.475 36 L N 4.062 125.285 121.223 0.001 0.000 2.910 36 L HA 0.394 4.734 4.340 -0.000 0.000 0.252 36 L C 1.671 178.543 176.870 0.004 0.000 1.195 36 L CA -0.122 54.720 54.840 0.002 0.000 1.003 36 L CB -0.061 41.999 42.059 0.001 0.000 1.328 36 L HN 0.749 nan 8.230 nan 0.000 0.540 37 A N 0.017 122.839 122.820 0.003 0.000 2.147 37 A HA 0.383 4.703 4.320 -0.000 0.000 0.211 37 A C 1.277 178.863 177.584 0.004 0.000 1.160 37 A CA 0.484 52.523 52.037 0.003 0.000 0.781 37 A CB -0.085 18.915 19.000 0.000 0.000 0.842 37 A HN 0.340 nan 8.150 nan 0.000 0.475 38 G N -1.681 107.124 108.800 0.008 0.000 2.528 38 G HA2 0.432 4.392 3.960 -0.000 0.000 0.289 38 G HA3 0.432 4.392 3.960 -0.000 0.000 0.289 38 G C 0.556 175.469 174.900 0.023 0.000 1.192 38 G CA 0.055 45.162 45.100 0.012 0.000 0.921 38 G HN 0.526 nan 8.290 nan 0.000 0.512 39 G N -0.293 108.523 108.800 0.026 0.000 3.820 39 G HA2 0.382 4.341 3.960 -0.000 0.000 0.293 39 G HA3 0.382 4.341 3.960 -0.000 0.000 0.293 39 G C 0.312 175.287 174.900 0.125 0.000 1.152 39 G CA -0.428 44.701 45.100 0.048 0.000 0.921 39 G HN 0.406 nan 8.290 nan 0.000 0.544 40 L N 2.376 123.681 121.223 0.138 0.000 2.319 40 L HA 0.318 4.658 4.340 -0.000 0.000 0.280 40 L C -1.537 175.423 176.870 0.149 0.000 1.099 40 L CA -1.686 53.287 54.840 0.222 0.000 0.828 40 L CB 0.928 43.081 42.059 0.156 0.000 1.150 40 L HN 0.060 nan 8.230 nan 0.000 0.442 41 P HA 0.035 nan 4.420 nan 0.000 0.272 41 P C -0.662 176.578 177.300 -0.100 0.000 1.230 41 P CA -0.561 62.573 63.100 0.056 0.000 0.788 41 P CB 0.545 32.330 31.700 0.142 0.000 0.949 42 N N 2.665 121.260 118.700 -0.175 0.000 2.438 42 N HA 0.010 4.750 4.740 -0.000 0.000 0.267 42 N C -1.307 173.849 175.510 -0.590 0.000 1.222 42 N CA -1.256 51.638 53.050 -0.260 0.000 0.930 42 N CB 0.473 38.849 38.487 -0.185 0.000 1.083 42 N HN 0.257 nan 8.380 nan 0.000 0.476 43 P HA -0.010 nan 4.420 nan 0.000 0.231 43 P C 0.490 177.466 177.300 -0.540 0.000 1.168 43 P CA 0.505 63.083 63.100 -0.871 0.000 0.779 43 P CB 0.510 32.075 31.700 -0.225 0.000 0.844 44 N N -0.275 118.236 118.700 -0.315 0.000 2.443 44 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 44 N C 1.525 176.943 175.510 -0.153 0.000 1.037 44 N CA 0.949 53.900 53.050 -0.165 0.000 0.896 44 N CB -0.299 38.120 38.487 -0.113 0.000 0.959 44 N HN 0.178 nan 8.380 nan 0.000 0.442 45 M N -0.235 119.205 119.600 -0.267 0.000 2.506 45 M HA 0.068 4.547 4.480 -0.000 0.000 0.260 45 M C -0.193 176.116 176.300 0.016 0.000 1.104 45 M CA 0.196 55.411 55.300 -0.142 0.000 1.112 45 M CB -0.571 31.933 32.600 -0.159 0.000 1.401 45 M HN -0.160 nan 8.290 nan 0.000 0.473 46 F N 2.405 122.344 119.950 -0.018 0.000 2.538 46 F HA 0.163 4.690 4.527 -0.000 0.000 0.371 46 F C -1.026 174.723 175.800 -0.086 0.000 1.087 46 F CA -2.385 55.600 58.000 -0.026 0.000 1.250 46 F CB -0.605 38.430 39.000 0.059 0.000 1.110 46 F HN 0.049 nan 8.300 nan 0.000 0.570 47 P HA -0.070 nan 4.420 nan 0.000 0.227 47 P C -0.100 177.039 177.300 -0.268 0.000 1.161 47 P CA 0.760 63.703 63.100 -0.262 0.000 0.788 47 P CB 0.094 31.535 31.700 -0.433 0.000 0.822 48 F N 0.802 120.809 119.950 0.094 0.000 2.456 48 F HA 0.246 4.773 4.527 -0.000 0.000 0.358 48 F C 1.760 177.637 175.800 0.128 0.000 1.095 48 F CA -0.069 57.987 58.000 0.094 0.000 1.216 48 F CB 0.478 39.531 39.000 0.088 0.000 1.125 48 F HN -0.312 nan 8.300 nan 0.000 0.549 49 K N 0.501 121.062 120.400 0.268 0.000 2.436 49 K HA 0.168 4.488 4.320 -0.000 0.000 0.198 49 K C 0.343 177.053 176.600 0.184 0.000 1.174 49 K CA 0.592 56.991 56.287 0.186 0.000 0.951 49 K CB 0.625 33.193 32.500 0.113 0.000 1.040 49 K HN 0.776 nan 8.250 nan 0.000 0.536 50 T N -1.959 112.711 114.554 0.195 0.000 2.853 50 T HA 0.782 5.132 4.350 -0.000 0.000 0.311 50 T C -1.534 173.262 174.700 0.160 0.000 1.307 50 T CA -0.905 61.295 62.100 0.168 0.000 1.019 50 T CB 2.286 71.215 68.868 0.103 0.000 1.264 50 T HN 0.033 nan 8.240 nan 0.000 0.497 51 A N 1.107 123.990 122.820 0.105 0.000 2.486 51 A HA 0.799 5.119 4.320 -0.000 0.000 0.300 51 A C -1.193 176.305 177.584 -0.143 0.000 1.048 51 A CA -0.817 51.203 52.037 -0.028 0.000 0.696 51 A CB 1.985 20.913 19.000 -0.119 0.000 1.278 51 A HN 1.141 nan 8.150 nan 0.000 0.405 52 V N 3.066 122.902 119.914 -0.130 0.000 2.443 52 V HA 0.473 4.593 4.120 -0.000 0.000 0.293 52 V C -0.719 175.279 176.094 -0.160 0.000 1.021 52 V CA -0.089 62.125 62.300 -0.143 0.000 0.848 52 V CB 1.235 33.013 31.823 -0.075 0.000 0.998 52 V HN 0.724 nan 8.190 nan 0.000 0.424 53 I N 4.379 124.821 120.570 -0.213 0.000 2.418 53 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 53 I C 0.566 176.588 176.117 -0.158 0.000 1.008 53 I CA -0.370 60.815 61.300 -0.192 0.000 1.104 53 I CB 2.409 40.252 38.000 -0.261 0.000 1.264 53 I HN 0.705 nan 8.210 nan 0.000 0.438 54 T N 3.376 117.861 114.554 -0.115 0.000 2.904 54 T HA 0.643 4.993 4.350 -0.000 0.000 0.290 54 T C -0.263 174.373 174.700 -0.106 0.000 1.018 54 T CA -0.602 61.440 62.100 -0.096 0.000 1.075 54 T CB 1.634 70.465 68.868 -0.062 0.000 0.986 54 T HN 0.228 nan 8.240 nan 0.000 0.523 55 V N 2.070 121.925 119.914 -0.098 0.000 2.588 55 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 55 V C 0.132 176.210 176.094 -0.027 0.000 1.042 55 V CA -1.061 61.176 62.300 -0.105 0.000 0.877 55 V CB 1.570 33.274 31.823 -0.197 0.000 0.996 55 V HN 1.068 nan 8.190 nan 0.000 0.425 56 E N 3.369 123.574 120.200 0.009 0.000 2.344 56 E HA 0.162 4.512 4.350 -0.000 0.000 0.270 56 E C 0.349 177.040 176.600 0.152 0.000 1.021 56 E CA 0.263 56.701 56.400 0.063 0.000 0.887 56 E CB 0.040 29.778 29.700 0.063 0.000 0.997 56 E HN 0.776 nan 8.360 nan 0.000 0.429 57 N N 1.875 120.656 118.700 0.135 0.000 2.735 57 N HA -0.232 4.508 4.740 -0.000 0.000 0.248 57 N C -0.545 175.164 175.510 0.331 0.000 1.083 57 N CA 0.617 53.778 53.050 0.184 0.000 0.703 57 N CB -0.820 37.760 38.487 0.155 0.000 1.005 57 N HN 0.570 nan 8.380 nan 0.000 0.550 58 G N -0.704 108.217 108.800 0.202 0.000 2.623 58 G HA2 0.472 4.432 3.960 -0.000 0.000 0.290 58 G HA3 0.472 4.432 3.960 -0.000 0.000 0.290 58 G C -1.505 173.400 174.900 0.009 0.000 1.437 58 G CA -0.978 44.208 45.100 0.143 0.000 0.798 58 G HN 0.138 nan 8.290 nan 0.000 0.488 59 K N 0.169 120.550 120.400 -0.032 0.000 2.326 59 K HA 0.453 4.773 4.320 -0.000 0.000 0.275 59 K C 0.902 177.449 176.600 -0.089 0.000 1.018 59 K CA -0.111 56.150 56.287 -0.043 0.000 0.962 59 K CB 0.684 33.162 32.500 -0.036 0.000 0.953 59 K HN 0.657 nan 8.250 nan 0.000 0.475 60 T N 2.708 117.218 114.554 -0.074 0.000 2.930 60 T HA 0.170 4.520 4.350 -0.000 0.000 0.306 60 T C 0.290 174.919 174.700 -0.118 0.000 1.045 60 T CA -0.373 61.669 62.100 -0.098 0.000 1.134 60 T CB 0.120 68.941 68.868 -0.079 0.000 0.961 60 T HN 0.405 nan 8.240 nan 0.000 0.545 61 I N 3.642 124.113 120.570 -0.165 0.000 2.353 61 I HA 0.313 4.482 4.170 -0.000 0.000 0.293 61 I C 0.519 176.511 176.117 -0.208 0.000 0.992 61 I CA -0.529 60.658 61.300 -0.188 0.000 1.268 61 I CB 1.332 39.175 38.000 -0.262 0.000 1.387 61 I HN 0.645 nan 8.210 nan 0.000 0.478 62 Q N 5.723 125.457 119.800 -0.110 0.000 2.321 62 Q HA 0.460 4.800 4.340 -0.000 0.000 0.270 62 Q C -1.544 174.536 176.000 0.134 0.000 1.032 62 Q CA -0.734 55.030 55.803 -0.064 0.000 0.784 62 Q CB 2.690 31.417 28.738 -0.019 0.000 1.264 62 Q HN 0.389 nan 8.270 nan 0.000 0.448 63 F N 1.463 121.354 119.950 -0.098 0.000 2.334 63 F HA 0.380 4.907 4.527 -0.000 0.000 0.367 63 F C 1.005 176.778 175.800 -0.045 0.000 1.115 63 F CA -1.081 56.858 58.000 -0.101 0.000 1.116 63 F CB 0.585 39.497 39.000 -0.146 0.000 1.230 63 F HN 0.575 nan 8.300 nan 0.000 0.484 64 G N 2.773 111.653 108.800 0.134 0.000 2.631 64 G HA2 0.112 4.072 3.960 -0.000 0.000 0.271 64 G HA3 0.112 4.072 3.960 -0.000 0.000 0.271 64 G C 0.913 175.856 174.900 0.072 0.000 1.302 64 G CA -0.336 44.810 45.100 0.077 0.000 1.002 64 G HN 0.542 nan 8.290 nan 0.000 0.519 65 E N -0.099 120.132 120.200 0.052 0.000 2.110 65 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 65 E C 1.809 178.429 176.600 0.034 0.000 0.988 65 E CA 0.996 57.428 56.400 0.054 0.000 0.804 65 E CB -0.191 29.536 29.700 0.045 0.000 0.745 65 E HN 0.536 nan 8.360 nan 0.000 0.458 66 E N 0.697 120.901 120.200 0.005 0.000 2.046 66 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 66 E C 2.041 178.609 176.600 -0.054 0.000 0.982 66 E CA 0.857 57.245 56.400 -0.019 0.000 0.800 66 E CB -0.341 29.343 29.700 -0.027 0.000 0.756 66 E HN 0.203 nan 8.360 nan 0.000 0.449 67 M N 0.400 119.948 119.600 -0.086 0.000 2.108 67 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 67 M C 2.206 178.343 176.300 -0.270 0.000 1.066 67 M CA 1.287 56.459 55.300 -0.215 0.000 1.107 67 M CB -0.277 32.173 32.600 -0.249 0.000 1.356 67 M HN 0.077 nan 8.290 nan 0.000 0.406 68 M N 0.180 119.734 119.600 -0.076 0.000 2.108 68 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 68 M C 1.824 178.176 176.300 0.087 0.000 1.066 68 M CA 1.964 57.302 55.300 0.063 0.000 1.107 68 M CB -0.413 32.313 32.600 0.211 0.000 1.356 68 M HN 0.239 nan 8.290 nan 0.000 0.406 69 K N -0.947 119.495 120.400 0.070 0.000 2.063 69 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 69 K C 2.254 178.897 176.600 0.072 0.000 1.048 69 K CA 1.661 58.008 56.287 0.101 0.000 0.928 69 K CB -0.372 32.155 32.500 0.046 0.000 0.713 69 K HN 0.400 nan 8.250 nan 0.000 0.442 70 R N 0.881 121.365 120.500 -0.026 0.000 2.081 70 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 70 R C 2.204 178.464 176.300 -0.066 0.000 1.131 70 R CA 1.379 57.443 56.100 -0.061 0.000 0.960 70 R CB -0.228 29.989 30.300 -0.137 0.000 0.856 70 R HN 0.180 nan 8.270 nan 0.000 0.436 71 A N 0.926 123.660 122.820 -0.143 0.000 1.978 71 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 71 A C 1.964 179.640 177.584 0.154 0.000 1.170 71 A CA 1.152 53.126 52.037 -0.105 0.000 0.636 71 A CB -0.313 18.481 19.000 -0.342 0.000 0.810 71 A HN 0.376 nan 8.150 nan 0.000 0.448 72 L N -1.129 120.206 121.223 0.186 0.000 2.592 72 L HA 0.147 4.487 4.340 -0.000 0.000 0.227 72 L C 0.818 177.771 176.870 0.138 0.000 1.127 72 L CA -0.181 54.762 54.840 0.171 0.000 0.884 72 L CB -0.095 42.133 42.059 0.282 0.000 1.065 72 L HN 0.406 nan 8.230 nan 0.000 0.457 73 Q N -0.558 119.333 119.800 0.152 0.000 2.297 73 Q HA 0.299 4.639 4.340 -0.000 0.000 0.268 73 Q C -0.821 175.230 176.000 0.084 0.000 1.045 73 Q CA -0.667 55.221 55.803 0.142 0.000 0.861 73 Q CB 0.974 29.802 28.738 0.151 0.000 1.344 73 Q HN 0.005 nan 8.270 nan 0.000 0.452 74 Y N 0.643 121.031 120.300 0.147 0.000 2.757 74 Y HA 0.234 4.784 4.550 -0.000 0.000 0.344 74 Y C 0.802 176.570 175.900 -0.221 0.000 1.263 74 Y CA 1.181 59.320 58.100 0.065 0.000 1.493 74 Y CB 0.451 38.982 38.460 0.119 0.000 1.342 74 Y HN 0.710 nan 8.280 nan 0.000 0.627 75 S N 0.486 115.888 115.700 -0.498 0.000 2.705 75 S HA 0.705 5.175 4.470 -0.000 0.000 0.280 75 S C -3.176 171.204 174.600 -0.365 0.000 1.174 75 S CA -1.891 56.079 58.200 -0.383 0.000 0.823 75 S CB 1.740 64.739 63.200 -0.335 0.000 1.162 75 S HN 0.223 nan 8.310 nan 0.000 0.487 76 P HA 0.363 nan 4.420 nan 0.000 0.271 76 P C 0.465 177.764 177.300 -0.003 0.000 1.216 76 P CA -0.177 62.883 63.100 -0.066 0.000 0.776 76 P CB 0.510 32.188 31.700 -0.038 0.000 0.881 77 S N 2.248 117.974 115.700 0.044 0.000 2.387 77 S HA -0.219 4.250 4.470 -0.000 0.000 0.230 77 S C 1.728 176.377 174.600 0.081 0.000 1.035 77 S CA 1.851 60.107 58.200 0.094 0.000 1.014 77 S CB -0.661 62.577 63.200 0.064 0.000 0.836 77 S HN 0.647 nan 8.310 nan 0.000 0.466 78 A N 0.208 123.056 122.820 0.047 0.000 2.218 78 A HA 0.558 4.878 4.320 -0.000 0.000 0.209 78 A C 0.962 178.571 177.584 0.042 0.000 1.168 78 A CA 0.653 52.714 52.037 0.039 0.000 0.804 78 A CB -0.314 18.699 19.000 0.023 0.000 0.834 78 A HN 0.794 nan 8.150 nan 0.000 0.482 79 G N -0.595 108.230 108.800 0.042 0.000 2.362 79 G HA2 0.221 4.181 3.960 -0.000 0.000 0.656 79 G HA3 0.221 4.181 3.960 -0.000 0.000 0.656 79 G C -0.270 174.633 174.900 0.005 0.000 1.376 79 G CA -0.532 44.590 45.100 0.036 0.000 0.971 79 G HN 1.139 nan 8.290 nan 0.000 0.636 80 I N -0.378 120.190 120.570 -0.004 0.000 2.754 80 I HA 0.421 4.591 4.170 -0.000 0.000 0.285 80 I C -0.870 175.241 176.117 -0.009 0.000 1.166 80 I CA -1.618 59.666 61.300 -0.026 0.000 1.417 80 I CB 1.101 39.074 38.000 -0.046 0.000 1.382 80 I HN 0.309 nan 8.210 nan 0.000 0.588 81 P HA -0.218 nan 4.420 nan 0.000 0.216 81 P C 1.168 178.487 177.300 0.031 0.000 1.150 81 P CA 1.562 64.664 63.100 0.003 0.000 0.837 81 P CB -0.194 31.500 31.700 -0.009 0.000 0.786 82 E N 0.123 120.336 120.200 0.022 0.000 2.150 82 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 82 E C 2.195 178.931 176.600 0.226 0.000 0.985 82 E CA 0.791 57.243 56.400 0.086 0.000 0.814 82 E CB -1.273 28.385 29.700 -0.070 0.000 0.752 82 E HN 0.276 nan 8.360 nan 0.000 0.466 83 L N 0.362 121.658 121.223 0.122 0.000 2.131 83 L HA -0.010 4.330 4.340 -0.000 0.000 0.206 83 L C 2.649 179.569 176.870 0.082 0.000 1.087 83 L CA 0.532 55.438 54.840 0.109 0.000 0.767 83 L CB -0.130 41.950 42.059 0.035 0.000 0.917 83 L HN 0.120 nan 8.230 nan 0.000 0.441 84 L N -0.430 120.823 121.223 0.049 0.000 2.042 84 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 84 L C 2.828 179.716 176.870 0.029 0.000 1.076 84 L CA 1.728 56.579 54.840 0.018 0.000 0.749 84 L CB -0.508 41.560 42.059 0.015 0.000 0.893 84 L HN 0.383 nan 8.230 nan 0.000 0.432 85 S N -1.605 114.137 115.700 0.070 0.000 2.371 85 S HA -0.232 4.238 4.470 -0.000 0.000 0.224 85 S C 1.693 176.322 174.600 0.047 0.000 1.029 85 S CA 0.523 58.756 58.200 0.055 0.000 0.978 85 S CB -0.981 62.264 63.200 0.074 0.000 0.833 85 S HN 0.511 nan 8.310 nan 0.000 0.466 86 W N 1.629 122.893 121.300 -0.060 0.000 2.318 86 W HA -0.069 4.591 4.660 -0.000 0.000 0.313 86 W C 1.879 178.279 176.519 -0.198 0.000 1.221 86 W CA 1.099 58.340 57.345 -0.173 0.000 1.266 86 W CB -0.341 28.942 29.460 -0.296 0.000 1.150 86 W HN 0.209 nan 8.180 nan 0.000 0.496 87 L N 0.704 121.977 121.223 0.084 0.000 2.056 87 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 87 L C 2.206 178.988 176.870 -0.147 0.000 1.078 87 L CA 1.806 56.557 54.840 -0.149 0.000 0.749 87 L CB -1.581 40.226 42.059 -0.420 0.000 0.901 87 L HN 0.006 nan 8.230 nan 0.000 0.433 88 K N -0.942 119.400 120.400 -0.096 0.000 2.097 88 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 88 K C 2.102 178.635 176.600 -0.112 0.000 1.049 88 K CA 1.183 57.428 56.287 -0.070 0.000 0.933 88 K CB -0.037 32.436 32.500 -0.045 0.000 0.717 88 K HN 0.156 nan 8.250 nan 0.000 0.442 89 Q N 1.329 121.020 119.800 -0.183 0.000 2.123 89 Q HA -0.098 4.241 4.340 -0.000 0.000 0.199 89 Q C 1.926 177.742 176.000 -0.306 0.000 0.966 89 Q CA 1.023 56.680 55.803 -0.243 0.000 0.845 89 Q CB -0.241 28.308 28.738 -0.314 0.000 0.907 89 Q HN 0.210 nan 8.270 nan 0.000 0.439 90 L N 0.313 121.279 121.223 -0.428 0.000 2.013 90 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 90 L C 2.084 178.892 176.870 -0.103 0.000 1.073 90 L CA 1.984 56.630 54.840 -0.323 0.000 0.753 90 L CB -0.544 41.333 42.059 -0.303 0.000 0.890 90 L HN 0.263 nan 8.230 nan 0.000 0.432 91 Q N -0.385 119.404 119.800 -0.018 0.000 2.084 91 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 91 Q C 2.386 178.384 176.000 -0.004 0.000 0.978 91 Q CA 2.116 57.974 55.803 0.091 0.000 0.844 91 Q CB -0.444 28.383 28.738 0.148 0.000 0.898 91 Q HN 0.625 nan 8.270 nan 0.000 0.426 92 I N 0.893 121.426 120.570 -0.061 0.000 2.163 92 I HA -0.289 3.880 4.170 -0.000 0.000 0.243 92 I C 2.340 178.403 176.117 -0.090 0.000 1.085 92 I CA 1.163 62.414 61.300 -0.080 0.000 1.347 92 I CB -0.273 37.671 38.000 -0.094 0.000 1.044 92 I HN 0.085 nan 8.210 nan 0.000 0.408 93 K N 0.693 121.025 120.400 -0.114 0.000 2.032 93 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 93 K C 2.065 178.600 176.600 -0.108 0.000 1.048 93 K CA 1.517 57.743 56.287 -0.101 0.000 0.927 93 K CB -0.477 31.958 32.500 -0.108 0.000 0.712 93 K HN 0.369 nan 8.250 nan 0.000 0.441 94 L N -0.309 120.794 121.223 -0.199 0.000 2.270 94 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 94 L C 1.663 178.264 176.870 -0.450 0.000 1.104 94 L CA 0.821 55.459 54.840 -0.335 0.000 0.804 94 L CB -0.188 41.563 42.059 -0.514 0.000 0.937 94 L HN 0.262 nan 8.230 nan 0.000 0.450 95 H N -2.315 116.744 119.070 -0.019 0.000 3.440 95 H HA 0.123 4.679 4.556 -0.000 0.000 0.259 95 H C 0.221 175.506 175.328 -0.072 0.000 1.120 95 H CA -0.305 55.707 56.048 -0.061 0.000 1.191 95 H CB 0.158 29.857 29.762 -0.105 0.000 1.537 95 H HN 0.099 nan 8.280 nan 0.000 0.547 96 N N 2.419 121.118 118.700 -0.001 0.000 2.725 96 N HA -0.121 4.619 4.740 -0.000 0.000 0.280 96 N C -2.711 172.763 175.510 -0.060 0.000 1.017 96 N CA -0.074 52.951 53.050 -0.042 0.000 0.813 96 N CB -0.642 37.820 38.487 -0.042 0.000 0.931 96 N HN 0.209 nan 8.380 nan 0.000 0.570 97 P HA 0.080 nan 4.420 nan 0.000 0.267 97 P C -1.747 175.440 177.300 -0.187 0.000 1.205 97 P CA -1.029 62.001 63.100 -0.116 0.000 0.765 97 P CB 0.463 32.088 31.700 -0.125 0.000 0.828 98 P HA -0.141 nan 4.420 nan 0.000 0.222 98 P C 1.231 178.242 177.300 -0.481 0.000 1.142 98 P CA 1.499 64.481 63.100 -0.198 0.000 0.788 98 P CB -0.049 31.589 31.700 -0.104 0.000 0.767 99 T N -1.224 112.956 114.554 -0.623 0.000 3.081 99 T HA 0.075 4.425 4.350 -0.000 0.000 0.250 99 T C 1.440 175.760 174.700 -0.632 0.000 1.100 99 T CA -0.108 61.356 62.100 -1.059 0.000 1.038 99 T CB -0.756 67.779 68.868 -0.555 0.000 0.962 99 T HN 0.098 nan 8.240 nan 0.000 0.516 100 I N -1.502 118.799 120.570 -0.447 0.000 2.335 100 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 100 I C 1.526 177.483 176.117 -0.267 0.000 1.129 100 I CA 1.713 62.790 61.300 -0.371 0.000 1.402 100 I CB -0.537 37.175 38.000 -0.480 0.000 1.069 100 I HN 0.306 nan 8.210 nan 0.000 0.424 101 H N -1.273 117.780 119.070 -0.029 0.000 2.592 101 H HA 0.347 4.903 4.556 -0.000 0.000 0.279 101 H C -0.141 175.309 175.328 0.204 0.000 1.089 101 H CA -0.544 55.547 56.048 0.072 0.000 1.150 101 H CB 0.157 29.961 29.762 0.070 0.000 1.575 101 H HN 0.283 nan 8.280 nan 0.000 0.547 102 Y N 1.567 121.926 120.300 0.098 0.000 2.426 102 Y HA 0.045 4.595 4.550 -0.000 0.000 0.344 102 Y C -1.804 174.140 175.900 0.074 0.000 1.256 102 Y CA -2.553 55.594 58.100 0.079 0.000 1.451 102 Y CB 0.145 38.645 38.460 0.067 0.000 1.342 102 Y HN 0.024 nan 8.280 nan 0.000 0.600 103 P HA -0.061 nan 4.420 nan 0.000 0.266 103 P C -2.092 175.298 177.300 0.149 0.000 1.193 103 P CA -0.660 62.525 63.100 0.141 0.000 0.770 103 P CB 0.201 31.956 31.700 0.091 0.000 0.836 104 P HA -0.263 nan 4.420 nan 0.000 0.215 104 P C 1.575 178.933 177.300 0.096 0.000 1.163 104 P CA 2.164 65.311 63.100 0.078 0.000 0.894 104 P CB -0.345 31.386 31.700 0.051 0.000 0.791 105 S N -1.219 114.545 115.700 0.106 0.000 2.469 105 S HA -0.185 4.285 4.470 -0.000 0.000 0.238 105 S C 1.588 176.323 174.600 0.224 0.000 0.998 105 S CA 1.013 59.296 58.200 0.138 0.000 0.957 105 S CB -1.049 62.212 63.200 0.102 0.000 0.764 105 S HN 0.264 nan 8.310 nan 0.000 0.514 106 Q N 0.399 120.329 119.800 0.216 0.000 2.204 106 Q HA 0.373 4.712 4.340 -0.000 0.000 0.209 106 Q C 0.804 177.058 176.000 0.423 0.000 0.861 106 Q CA 0.146 56.113 55.803 0.274 0.000 0.971 106 Q CB 0.430 29.245 28.738 0.129 0.000 1.095 106 Q HN 0.758 nan 8.270 nan 0.000 0.486 107 G N 1.607 110.613 108.800 0.343 0.000 2.132 107 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.228 107 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.228 107 G C -0.039 174.935 174.900 0.124 0.000 1.000 107 G CA -0.037 45.199 45.100 0.226 0.000 0.693 107 G HN 0.423 nan 8.290 nan 0.000 0.515 108 Q N -0.235 119.640 119.800 0.125 0.000 2.368 108 Q HA 0.189 4.529 4.340 -0.000 0.000 0.331 108 Q C 1.174 177.147 176.000 -0.045 0.000 1.086 108 Q CA 0.138 55.961 55.803 0.033 0.000 1.031 108 Q CB 0.252 29.032 28.738 0.069 0.000 1.125 108 Q HN 0.565 nan 8.270 nan 0.000 0.389 109 M N 3.939 123.479 119.600 -0.101 0.000 2.284 109 M HA -0.067 4.413 4.480 -0.000 0.000 0.351 109 M C -0.782 175.482 176.300 -0.060 0.000 1.443 109 M CA 0.797 56.040 55.300 -0.095 0.000 1.031 109 M CB 0.260 32.789 32.600 -0.117 0.000 1.893 109 M HN 0.664 nan 8.290 nan 0.000 0.456 110 D N 4.316 124.683 120.400 -0.054 0.000 2.477 110 D HA 0.714 5.353 4.640 -0.000 0.000 0.234 110 D C -1.879 174.406 176.300 -0.025 0.000 1.048 110 D CA -0.435 53.543 54.000 -0.036 0.000 0.959 110 D CB 1.961 42.738 40.800 -0.039 0.000 1.408 110 D HN 0.694 nan 8.370 nan 0.000 0.496 111 L N 1.164 122.383 121.223 -0.006 0.000 2.472 111 L HA 0.624 4.964 4.340 -0.000 0.000 0.260 111 L C -1.460 175.425 176.870 0.025 0.000 0.963 111 L CA -0.461 54.393 54.840 0.022 0.000 0.829 111 L CB 1.451 43.532 42.059 0.037 0.000 1.348 111 L HN 0.757 nan 8.230 nan 0.000 0.408 112 C N 2.047 121.373 119.300 0.042 0.000 2.698 112 C HA 0.771 5.231 4.460 -0.000 0.000 0.309 112 C C -0.086 174.950 174.990 0.078 0.000 1.186 112 C CA -1.032 58.012 59.018 0.042 0.000 1.474 112 C CB 0.594 28.348 27.740 0.023 0.000 2.020 112 C HN 0.525 nan 8.230 nan 0.000 0.474 113 V N 3.563 123.520 119.914 0.072 0.000 2.637 113 V HA 0.546 4.666 4.120 -0.000 0.000 0.296 113 V C 1.028 177.168 176.094 0.076 0.000 1.046 113 V CA 0.730 63.087 62.300 0.095 0.000 1.066 113 V CB 1.121 32.990 31.823 0.077 0.000 0.968 113 V HN 1.151 nan 8.190 nan 0.000 0.483 114 T N 0.713 115.311 114.554 0.073 0.000 2.930 114 T HA 0.408 4.758 4.350 -0.000 0.000 0.290 114 T C -0.012 174.713 174.700 0.042 0.000 1.052 114 T CA -0.732 61.389 62.100 0.034 0.000 1.017 114 T CB 1.689 70.552 68.868 -0.009 0.000 1.137 114 T HN 0.397 nan 8.240 nan 0.000 0.511 115 S N 1.532 117.245 115.700 0.021 0.000 4.087 115 S HA 0.579 5.049 4.470 -0.000 0.000 0.213 115 S C 0.814 175.426 174.600 0.021 0.000 1.415 115 S CA 0.121 58.337 58.200 0.025 0.000 0.893 115 S CB -1.043 62.161 63.200 0.006 0.000 1.529 115 S HN 1.466 nan 8.310 nan 0.000 0.457 116 G N 1.701 110.521 108.800 0.034 0.000 2.705 116 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 116 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 116 G C 0.687 175.575 174.900 -0.021 0.000 1.285 116 G CA -0.341 44.771 45.100 0.020 0.000 0.800 116 G HN 0.755 nan 8.290 nan 0.000 0.611 117 S N -0.073 115.594 115.700 -0.056 0.000 2.383 117 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 117 S C 2.140 176.687 174.600 -0.089 0.000 1.026 117 S CA 1.977 60.110 58.200 -0.113 0.000 0.981 117 S CB -0.210 62.880 63.200 -0.183 0.000 0.818 117 S HN 1.284 nan 8.310 nan 0.000 0.472 118 Q N 1.410 121.189 119.800 -0.035 0.000 2.181 118 Q HA -0.187 4.153 4.340 -0.000 0.000 0.205 118 Q C 2.309 178.277 176.000 -0.052 0.000 0.980 118 Q CA 1.936 57.740 55.803 0.001 0.000 0.862 118 Q CB -0.479 28.308 28.738 0.082 0.000 0.905 118 Q HN 0.835 nan 8.270 nan 0.000 0.429 119 Q N -1.022 118.745 119.800 -0.056 0.000 2.050 119 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 119 Q C 1.930 177.853 176.000 -0.128 0.000 0.980 119 Q CA 1.597 57.352 55.803 -0.081 0.000 0.840 119 Q CB -0.543 28.157 28.738 -0.063 0.000 0.898 119 Q HN 0.546 nan 8.270 nan 0.000 0.424 120 G N 1.298 110.022 108.800 -0.127 0.000 2.476 120 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 120 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 120 G C 1.427 176.177 174.900 -0.250 0.000 1.164 120 G CA 1.074 46.079 45.100 -0.158 0.000 0.768 120 G HN 0.331 nan 8.290 nan 0.000 0.560 121 L N -0.239 120.805 121.223 -0.299 0.000 2.017 121 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 121 L C 3.024 179.424 176.870 -0.783 0.000 1.073 121 L CA 1.078 55.577 54.840 -0.569 0.000 0.745 121 L CB -0.742 41.057 42.059 -0.432 0.000 0.894 121 L HN 0.388 nan 8.230 nan 0.000 0.432 122 C N 0.483 119.551 119.300 -0.388 0.000 2.413 122 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 122 C C 2.963 177.857 174.990 -0.159 0.000 1.236 122 C CA 0.942 59.842 59.018 -0.196 0.000 1.735 122 C CB -0.642 27.060 27.740 -0.064 0.000 2.031 122 C HN 0.383 nan 8.230 nan 0.000 0.474 123 K N 0.495 120.786 120.400 -0.182 0.000 2.148 123 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 123 K C 1.961 178.532 176.600 -0.048 0.000 1.050 123 K CA 0.978 57.206 56.287 -0.097 0.000 0.942 123 K CB -0.932 31.494 32.500 -0.124 0.000 0.724 123 K HN 0.493 nan 8.250 nan 0.000 0.446 124 V N 1.167 120.967 119.914 -0.189 0.000 2.295 124 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 124 V C 2.165 178.232 176.094 -0.046 0.000 1.049 124 V CA 1.653 63.846 62.300 -0.178 0.000 1.024 124 V CB -0.612 31.012 31.823 -0.332 0.000 0.648 124 V HN 0.154 nan 8.190 nan 0.000 0.447 125 F N 0.365 120.283 119.950 -0.053 0.000 2.120 125 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 125 F C 2.557 178.404 175.800 0.078 0.000 1.095 125 F CA 1.689 59.696 58.000 0.011 0.000 1.249 125 F CB -0.300 38.707 39.000 0.012 0.000 0.995 125 F HN 0.210 nan 8.300 nan 0.000 0.480 126 E N 0.033 120.380 120.200 0.245 0.000 2.150 126 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 126 E C 2.097 178.799 176.600 0.169 0.000 0.985 126 E CA 0.972 57.493 56.400 0.202 0.000 0.814 126 E CB -0.190 29.647 29.700 0.228 0.000 0.752 126 E HN 0.444 nan 8.360 nan 0.000 0.466 127 M N 0.371 120.067 119.600 0.161 0.000 2.229 127 M HA -0.132 4.347 4.480 -0.000 0.000 0.264 127 M C 1.705 178.099 176.300 0.157 0.000 1.063 127 M CA 1.555 56.935 55.300 0.133 0.000 1.114 127 M CB 0.179 32.843 32.600 0.107 0.000 1.387 127 M HN 0.094 nan 8.290 nan 0.000 0.420 128 I N -0.517 120.180 120.570 0.211 0.000 2.729 128 I HA 0.048 4.218 4.170 -0.000 0.000 0.256 128 I C 0.511 176.768 176.117 0.234 0.000 1.115 128 I CA 0.094 61.560 61.300 0.277 0.000 1.446 128 I CB 0.325 38.569 38.000 0.407 0.000 1.176 128 I HN 0.057 nan 8.210 nan 0.000 0.446 129 I N 2.797 123.504 120.570 0.227 0.000 2.337 129 I HA 0.065 4.235 4.170 -0.000 0.000 0.291 129 I C -0.385 175.781 176.117 0.082 0.000 1.046 129 I CA -0.087 61.305 61.300 0.153 0.000 1.324 129 I CB 0.104 38.196 38.000 0.154 0.000 1.409 129 I HN 0.188 nan 8.210 nan 0.000 0.494 130 N N 8.153 126.881 118.700 0.047 0.000 2.487 130 N HA 0.369 5.109 4.740 -0.000 0.000 0.292 130 N C -2.489 173.021 175.510 0.001 0.000 1.108 130 N CA -1.677 51.385 53.050 0.020 0.000 0.956 130 N CB 0.916 39.410 38.487 0.011 0.000 1.176 130 N HN 0.185 nan 8.380 nan 0.000 0.484 131 P HA 0.051 nan 4.420 nan 0.000 0.262 131 P C 0.852 178.140 177.300 -0.020 0.000 1.182 131 P CA 0.779 63.867 63.100 -0.020 0.000 0.761 131 P CB 0.314 32.001 31.700 -0.021 0.000 0.795 132 G N 1.923 110.707 108.800 -0.027 0.000 2.217 132 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.246 132 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.246 132 G C 0.023 174.908 174.900 -0.025 0.000 0.990 132 G CA -0.289 44.798 45.100 -0.021 0.000 0.627 132 G HN 0.498 nan 8.290 nan 0.000 0.522 133 D N 1.386 121.762 120.400 -0.039 0.000 2.443 133 D HA 0.280 4.920 4.640 -0.000 0.000 0.239 133 D C 0.518 176.754 176.300 -0.105 0.000 1.136 133 D CA 0.128 54.089 54.000 -0.064 0.000 0.879 133 D CB 0.358 41.120 40.800 -0.064 0.000 1.195 133 D HN 0.227 nan 8.370 nan 0.000 0.443 134 N N 0.702 119.325 118.700 -0.128 0.000 2.455 134 N HA 0.334 5.074 4.740 -0.000 0.000 0.280 134 N C -0.453 174.853 175.510 -0.339 0.000 1.055 134 N CA -0.367 52.585 53.050 -0.164 0.000 0.961 134 N CB 1.628 40.073 38.487 -0.070 0.000 1.121 134 N HN 0.197 nan 8.380 nan 0.000 0.476 135 V N -0.113 119.567 119.914 -0.390 0.000 3.007 135 V HA 0.654 4.774 4.120 -0.000 0.000 0.311 135 V C -0.783 175.074 176.094 -0.396 0.000 1.120 135 V CA -1.010 60.909 62.300 -0.635 0.000 0.980 135 V CB 1.868 33.083 31.823 -1.013 0.000 1.033 135 V HN 0.368 nan 8.190 nan 0.000 0.429 136 L N 5.144 126.139 121.223 -0.381 0.000 2.322 136 L HA 0.841 5.181 4.340 -0.000 0.000 0.281 136 L C -0.391 176.461 176.870 -0.030 0.000 1.014 136 L CA -0.558 54.157 54.840 -0.209 0.000 0.815 136 L CB 1.630 43.500 42.059 -0.315 0.000 1.247 136 L HN 0.863 nan 8.230 nan 0.000 0.421 137 L N 0.178 121.416 121.223 0.024 0.000 2.720 137 L HA 0.610 4.950 4.340 -0.000 0.000 0.261 137 L C -1.960 174.964 176.870 0.090 0.000 1.046 137 L CA -0.881 54.035 54.840 0.128 0.000 0.886 137 L CB 2.444 44.667 42.059 0.274 0.000 1.493 137 L HN 0.570 nan 8.230 nan 0.000 0.407 138 D N 0.301 120.764 120.400 0.105 0.000 2.280 138 D HA 0.333 4.973 4.640 -0.000 0.000 0.243 138 D C -0.639 175.690 176.300 0.049 0.000 1.129 138 D CA -0.203 53.839 54.000 0.070 0.000 0.848 138 D CB 1.959 42.793 40.800 0.057 0.000 1.107 138 D HN 0.616 nan 8.370 nan 0.000 0.471 139 E N 2.092 122.318 120.200 0.042 0.000 2.277 139 E HA 0.313 4.663 4.350 -0.000 0.000 0.274 139 E C -2.083 174.480 176.600 -0.061 0.000 1.022 139 E CA -1.909 54.475 56.400 -0.027 0.000 0.853 139 E CB 1.105 30.851 29.700 0.078 0.000 1.086 139 E HN 0.381 nan 8.360 nan 0.000 0.397 140 P HA 0.111 nan 4.420 nan 0.000 0.271 140 P C -1.323 175.779 177.300 -0.330 0.000 1.216 140 P CA -0.105 62.623 63.100 -0.621 0.000 0.776 140 P CB 1.024 32.176 31.700 -0.913 0.000 0.881 141 A N 3.059 125.780 122.820 -0.165 0.000 2.386 141 A HA 0.452 4.772 4.320 -0.000 0.000 0.308 141 A C -1.027 176.665 177.584 0.180 0.000 1.128 141 A CA -0.786 51.275 52.037 0.039 0.000 0.789 141 A CB 0.606 19.664 19.000 0.098 0.000 1.325 141 A HN 0.512 nan 8.150 nan 0.000 0.437 142 Y N 1.999 122.386 120.300 0.145 0.000 2.805 142 Y HA 0.084 4.634 4.550 -0.000 0.000 0.331 142 Y C 1.668 177.663 175.900 0.158 0.000 1.241 142 Y CA 0.322 58.544 58.100 0.203 0.000 1.546 142 Y CB 0.473 39.065 38.460 0.220 0.000 1.248 142 Y HN 0.779 nan 8.280 nan 0.000 0.559 143 S N 3.260 118.889 115.700 -0.119 0.000 2.382 143 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 143 S C 2.159 176.418 174.600 -0.569 0.000 1.027 143 S CA 0.954 58.933 58.200 -0.367 0.000 0.991 143 S CB -1.159 61.786 63.200 -0.425 0.000 0.823 143 S HN 0.911 nan 8.310 nan 0.000 0.469 144 G N 2.024 110.126 108.800 -1.162 0.000 2.440 144 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.218 144 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.218 144 G C 1.723 176.347 174.900 -0.460 0.000 1.154 144 G CA 1.825 46.398 45.100 -0.878 0.000 0.767 144 G HN 0.733 nan 8.290 nan 0.000 0.552 145 T N -0.074 114.224 114.554 -0.428 0.000 2.777 145 T HA 0.004 4.354 4.350 -0.000 0.000 0.266 145 T C 2.455 177.020 174.700 -0.225 0.000 1.040 145 T CA 1.173 63.195 62.100 -0.129 0.000 1.141 145 T CB -0.366 68.409 68.868 -0.155 0.000 0.868 145 T HN 0.199 nan 8.240 nan 0.000 0.444 146 L N 0.362 121.449 121.223 -0.226 0.000 2.042 146 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 146 L C 3.266 180.060 176.870 -0.126 0.000 1.076 146 L CA 1.376 56.112 54.840 -0.173 0.000 0.749 146 L CB -0.734 41.236 42.059 -0.148 0.000 0.893 146 L HN 0.256 nan 8.230 nan 0.000 0.432 147 Q N -0.725 118.990 119.800 -0.142 0.000 2.224 147 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 147 Q C 2.452 178.446 176.000 -0.011 0.000 0.970 147 Q CA 1.442 57.204 55.803 -0.068 0.000 0.865 147 Q CB -0.403 28.280 28.738 -0.093 0.000 0.922 147 Q HN 0.365 nan 8.270 nan 0.000 0.445 148 S N -0.419 115.265 115.700 -0.028 0.000 2.387 148 S HA 0.029 4.499 4.470 -0.000 0.000 0.226 148 S C 1.773 176.363 174.600 -0.015 0.000 1.026 148 S CA 0.390 58.615 58.200 0.042 0.000 0.972 148 S CB 0.062 63.371 63.200 0.182 0.000 0.814 148 S HN 0.326 nan 8.310 nan 0.000 0.477 149 L N 0.738 121.875 121.223 -0.143 0.000 2.240 149 L HA 0.017 4.357 4.340 -0.000 0.000 0.211 149 L C 2.573 179.397 176.870 -0.078 0.000 1.106 149 L CA 1.156 55.873 54.840 -0.206 0.000 0.793 149 L CB -0.666 41.189 42.059 -0.341 0.000 0.927 149 L HN 0.517 nan 8.230 nan 0.000 0.446 150 H N 1.607 120.611 119.070 -0.110 0.000 2.293 150 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 150 H C -0.509 174.790 175.328 -0.049 0.000 1.082 150 H CA 1.648 57.650 56.048 -0.077 0.000 1.308 150 H CB -0.742 28.979 29.762 -0.069 0.000 1.375 150 H HN 0.176 nan 8.280 nan 0.000 0.495 151 P HA -0.089 nan 4.420 nan 0.000 0.222 151 P C 1.479 178.678 177.300 -0.167 0.000 1.147 151 P CA 0.460 63.389 63.100 -0.284 0.000 0.790 151 P CB -0.007 31.630 31.700 -0.105 0.000 0.780 152 L N -1.507 119.652 121.223 -0.107 0.000 2.376 152 L HA 0.186 4.526 4.340 -0.000 0.000 0.219 152 L C 1.742 178.571 176.870 -0.068 0.000 1.133 152 L CA 1.436 56.244 54.840 -0.054 0.000 0.816 152 L CB -1.789 40.263 42.059 -0.012 0.000 0.933 152 L HN 0.168 nan 8.230 nan 0.000 0.449 153 G N -0.894 107.841 108.800 -0.107 0.000 2.153 153 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 153 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 153 G C 0.630 175.492 174.900 -0.062 0.000 0.994 153 G CA 0.319 45.367 45.100 -0.087 0.000 0.698 153 G HN 0.521 nan 8.290 nan 0.000 0.521 154 C N -0.771 118.486 119.300 -0.071 0.000 2.656 154 C HA 0.654 5.114 4.460 -0.000 0.000 0.391 154 C C 0.678 175.622 174.990 -0.077 0.000 1.300 154 C CA -1.350 57.617 59.018 -0.084 0.000 2.302 154 C CB 0.055 27.718 27.740 -0.128 0.000 2.655 154 C HN 0.501 nan 8.230 nan 0.000 0.656 155 N N 0.839 119.493 118.700 -0.076 0.000 2.408 155 N HA 0.490 5.230 4.740 -0.000 0.000 0.257 155 N C -0.793 174.663 175.510 -0.090 0.000 1.064 155 N CA -0.167 52.848 53.050 -0.058 0.000 0.952 155 N CB 0.554 39.023 38.487 -0.031 0.000 1.093 155 N HN 0.609 nan 8.380 nan 0.000 0.490 156 I N 3.306 123.831 120.570 -0.075 0.000 2.352 156 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 156 I C -0.078 176.008 176.117 -0.051 0.000 1.036 156 I CA -0.298 60.949 61.300 -0.089 0.000 1.336 156 I CB 0.651 38.608 38.000 -0.072 0.000 1.407 156 I HN 0.370 nan 8.210 nan 0.000 0.497 157 I N 6.144 126.677 120.570 -0.061 0.000 2.312 157 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 157 I C 0.081 176.190 176.117 -0.014 0.000 1.008 157 I CA -0.638 60.647 61.300 -0.024 0.000 1.226 157 I CB 1.101 39.095 38.000 -0.009 0.000 1.371 157 I HN 0.532 nan 8.210 nan 0.000 0.468 158 N N 5.837 124.546 118.700 0.015 0.000 2.497 158 N HA 0.177 4.917 4.740 -0.000 0.000 0.268 158 N C -0.948 174.583 175.510 0.035 0.000 1.171 158 N CA 0.023 53.095 53.050 0.037 0.000 0.948 158 N CB 1.005 39.532 38.487 0.066 0.000 1.069 158 N HN 0.274 nan 8.380 nan 0.000 0.460 159 V N 2.539 122.477 119.914 0.040 0.000 2.435 159 V HA 0.597 4.717 4.120 -0.000 0.000 0.290 159 V C 0.459 176.590 176.094 0.061 0.000 1.030 159 V CA -1.182 61.144 62.300 0.043 0.000 0.881 159 V CB 1.039 32.884 31.823 0.037 0.000 0.983 159 V HN 0.881 nan 8.190 nan 0.000 0.445 160 A N 4.388 127.246 122.820 0.064 0.000 2.498 160 A HA 0.574 4.894 4.320 -0.000 0.000 0.239 160 A C 0.522 178.150 177.584 0.074 0.000 1.068 160 A CA 0.301 52.383 52.037 0.075 0.000 0.766 160 A CB 0.050 19.093 19.000 0.071 0.000 1.003 160 A HN 1.209 nan 8.150 nan 0.000 0.497 161 S N 1.019 116.767 115.700 0.079 0.000 2.564 161 S HA 0.776 5.245 4.470 -0.000 0.000 0.274 161 S C -0.990 173.657 174.600 0.079 0.000 1.124 161 S CA -0.329 57.913 58.200 0.069 0.000 0.869 161 S CB 2.057 65.289 63.200 0.052 0.000 1.105 161 S HN 0.905 nan 8.310 nan 0.000 0.472 162 D N 0.234 120.669 120.400 0.057 0.000 2.904 162 D HA 0.363 5.003 4.640 -0.000 0.000 0.290 162 D C 0.419 176.709 176.300 -0.016 0.000 1.180 162 D CA -0.665 53.367 54.000 0.053 0.000 1.065 162 D CB -0.441 40.386 40.800 0.044 0.000 1.386 162 D HN 0.378 nan 8.370 nan 0.000 0.599 163 E N -0.459 119.650 120.200 -0.151 0.000 2.331 163 E HA -0.013 4.337 4.350 -0.000 0.000 0.199 163 E C 0.808 177.331 176.600 -0.128 0.000 1.008 163 E CA 1.214 57.423 56.400 -0.317 0.000 0.843 163 E CB -0.295 29.039 29.700 -0.610 0.000 0.761 163 E HN 0.263 nan 8.360 nan 0.000 0.507 164 S N -0.072 115.590 115.700 -0.063 0.000 2.574 164 S HA 0.474 4.943 4.470 -0.000 0.000 0.242 164 S C 0.629 175.230 174.600 0.002 0.000 0.982 164 S CA 0.006 58.192 58.200 -0.023 0.000 0.977 164 S CB 0.280 63.472 63.200 -0.012 0.000 0.814 164 S HN 0.517 nan 8.310 nan 0.000 0.464 165 G N 2.036 110.839 108.800 0.005 0.000 2.584 165 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.229 165 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.229 165 G C -0.321 174.607 174.900 0.045 0.000 1.320 165 G CA -0.805 44.309 45.100 0.024 0.000 0.891 165 G HN 0.379 nan 8.290 nan 0.000 0.573 166 I N 0.570 121.180 120.570 0.067 0.000 2.826 166 I HA 0.120 4.290 4.170 -0.000 0.000 0.295 166 I C 1.009 177.176 176.117 0.083 0.000 1.213 166 I CA 0.172 61.522 61.300 0.083 0.000 1.436 166 I CB 0.521 38.589 38.000 0.113 0.000 1.348 166 I HN 0.370 nan 8.210 nan 0.000 0.570 167 V N 9.612 129.572 119.914 0.076 0.000 2.368 167 V HA 0.093 4.212 4.120 -0.000 0.000 0.266 167 V C -1.384 174.760 176.094 0.084 0.000 1.045 167 V CA -1.058 61.286 62.300 0.073 0.000 0.899 167 V CB 0.911 32.773 31.823 0.065 0.000 1.006 167 V HN 0.676 nan 8.190 nan 0.000 0.470 168 P HA -0.102 nan 4.420 nan 0.000 0.218 168 P C 1.056 178.414 177.300 0.096 0.000 1.148 168 P CA 0.971 64.135 63.100 0.108 0.000 0.822 168 P CB 0.301 32.069 31.700 0.112 0.000 0.784 169 D N -1.107 119.341 120.400 0.080 0.000 2.149 169 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 169 D C 2.103 178.443 176.300 0.067 0.000 0.990 169 D CA 1.376 55.419 54.000 0.071 0.000 0.839 169 D CB -0.804 40.032 40.800 0.060 0.000 0.948 169 D HN 0.112 nan 8.370 nan 0.000 0.460 170 S N -0.396 115.343 115.700 0.065 0.000 2.368 170 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 170 S C 1.833 176.467 174.600 0.056 0.000 1.029 170 S CA 0.440 58.674 58.200 0.057 0.000 0.988 170 S CB -0.227 63.008 63.200 0.058 0.000 0.838 170 S HN 0.157 nan 8.310 nan 0.000 0.462 171 L N 2.254 123.519 121.223 0.071 0.000 1.994 171 L HA 0.090 4.430 4.340 -0.000 0.000 0.208 171 L C 2.467 179.381 176.870 0.074 0.000 1.071 171 L CA 2.126 57.010 54.840 0.073 0.000 0.745 171 L CB -1.074 41.053 42.059 0.115 0.000 0.892 171 L HN 0.313 nan 8.230 nan 0.000 0.431 172 R N -0.512 120.047 120.500 0.099 0.000 2.113 172 R HA -0.228 4.112 4.340 -0.000 0.000 0.244 172 R C 1.940 178.280 176.300 0.068 0.000 1.142 172 R CA 2.279 58.443 56.100 0.107 0.000 0.953 172 R CB -0.375 29.995 30.300 0.117 0.000 0.860 172 R HN 0.483 nan 8.270 nan 0.000 0.438 173 D N 0.161 120.593 120.400 0.054 0.000 2.097 173 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 173 D C 1.838 178.147 176.300 0.014 0.000 0.984 173 D CA 1.438 55.460 54.000 0.036 0.000 0.826 173 D CB -0.355 40.464 40.800 0.032 0.000 0.973 173 D HN 0.424 nan 8.370 nan 0.000 0.460 174 I N -0.581 119.999 120.570 0.015 0.000 2.286 174 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 174 I C 1.908 178.051 176.117 0.042 0.000 1.115 174 I CA 1.395 62.704 61.300 0.015 0.000 1.392 174 I CB -0.534 37.484 38.000 0.031 0.000 1.065 174 I HN -0.086 nan 8.210 nan 0.000 0.418 175 L N 1.077 122.290 121.223 -0.016 0.000 2.291 175 L HA -0.064 4.276 4.340 -0.000 0.000 0.214 175 L C 2.611 179.409 176.870 -0.120 0.000 1.120 175 L CA 1.107 55.848 54.840 -0.164 0.000 0.799 175 L CB -0.673 40.991 42.059 -0.658 0.000 0.925 175 L HN 0.537 nan 8.230 nan 0.000 0.446 176 S N -0.354 115.343 115.700 -0.005 0.000 2.500 176 S HA -0.216 4.254 4.470 -0.000 0.000 0.239 176 S C 2.037 176.657 174.600 0.034 0.000 0.989 176 S CA 0.567 58.818 58.200 0.084 0.000 0.951 176 S CB -0.448 62.792 63.200 0.067 0.000 0.759 176 S HN 0.430 nan 8.310 nan 0.000 0.523 177 R N -0.085 120.371 120.500 -0.075 0.000 2.189 177 R HA 0.014 4.354 4.340 -0.000 0.000 0.223 177 R C -0.037 176.066 176.300 -0.329 0.000 1.092 177 R CA 0.622 56.542 56.100 -0.300 0.000 0.989 177 R CB 0.061 30.004 30.300 -0.595 0.000 0.876 177 R HN 0.519 nan 8.270 nan 0.000 0.457 178 W N 0.836 122.145 121.300 0.016 0.000 2.671 178 W HA 0.414 5.074 4.660 -0.000 0.000 0.360 178 W C 0.091 176.739 176.519 0.215 0.000 1.128 178 W CA -0.791 56.609 57.345 0.092 0.000 1.184 178 W CB 0.774 30.292 29.460 0.097 0.000 1.415 178 W HN -0.270 nan 8.180 nan 0.000 0.604 179 K N 0.656 121.311 120.400 0.424 0.000 2.118 179 K HA 0.248 4.568 4.320 -0.000 0.000 0.254 179 K C -1.677 175.094 176.600 0.286 0.000 0.961 179 K CA -1.698 54.775 56.287 0.309 0.000 0.876 179 K CB 1.628 34.226 32.500 0.164 0.000 1.077 179 K HN -0.093 nan 8.250 nan 0.000 0.440 180 P HA -0.175 nan 4.420 nan 0.000 0.217 180 P C 0.202 177.497 177.300 -0.008 0.000 1.148 180 P CA 1.392 64.416 63.100 -0.127 0.000 0.828 180 P CB 0.361 31.860 31.700 -0.334 0.000 0.783 181 E N -0.856 119.356 120.200 0.020 0.000 2.268 181 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 181 E C 1.454 178.082 176.600 0.047 0.000 0.995 181 E CA 0.825 57.237 56.400 0.020 0.000 0.836 181 E CB -1.025 28.686 29.700 0.018 0.000 0.763 181 E HN 0.293 nan 8.360 nan 0.000 0.491 182 D N 0.794 121.256 120.400 0.103 0.000 2.263 182 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 182 D C 1.753 178.081 176.300 0.047 0.000 0.971 182 D CA 1.247 55.318 54.000 0.119 0.000 0.867 182 D CB -0.228 40.726 40.800 0.256 0.000 0.929 182 D HN 0.279 nan 8.370 nan 0.000 0.492 183 A N 0.670 123.506 122.820 0.027 0.000 2.019 183 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 183 A C 1.912 179.467 177.584 -0.049 0.000 1.164 183 A CA 1.199 53.223 52.037 -0.022 0.000 0.644 183 A CB -0.248 18.758 19.000 0.010 0.000 0.805 183 A HN 0.137 nan 8.150 nan 0.000 0.449 184 K N -0.244 120.138 120.400 -0.030 0.000 2.487 184 K HA 0.038 4.358 4.320 -0.000 0.000 0.192 184 K C 0.364 176.942 176.600 -0.036 0.000 1.027 184 K CA 0.310 56.572 56.287 -0.042 0.000 1.054 184 K CB -0.118 32.364 32.500 -0.029 0.000 0.824 184 K HN 0.593 nan 8.250 nan 0.000 0.510 185 N N 0.745 119.432 118.700 -0.022 0.000 2.518 185 N HA 0.134 4.874 4.740 -0.000 0.000 0.254 185 N C -2.287 173.210 175.510 -0.021 0.000 0.979 185 N CA -2.122 50.921 53.050 -0.011 0.000 0.930 185 N CB 1.203 39.700 38.487 0.018 0.000 1.152 185 N HN -0.252 nan 8.380 nan 0.000 0.505 186 P HA -0.169 nan 4.420 nan 0.000 0.218 186 P C 0.877 178.167 177.300 -0.017 0.000 1.146 186 P CA 1.108 64.180 63.100 -0.047 0.000 0.813 186 P CB 0.338 32.010 31.700 -0.047 0.000 0.778 187 Q N -0.440 119.362 119.800 0.004 0.000 2.224 187 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 187 Q C 1.731 177.766 176.000 0.059 0.000 0.970 187 Q CA 1.204 57.021 55.803 0.024 0.000 0.865 187 Q CB -0.547 28.205 28.738 0.023 0.000 0.922 187 Q HN 0.202 nan 8.270 nan 0.000 0.445 188 K N 0.129 120.580 120.400 0.085 0.000 2.439 188 K HA -0.013 4.307 4.320 -0.000 0.000 0.197 188 K C 0.302 177.065 176.600 0.271 0.000 1.041 188 K CA 0.250 56.649 56.287 0.186 0.000 0.970 188 K CB -0.119 32.518 32.500 0.229 0.000 0.773 188 K HN 0.133 nan 8.250 nan 0.000 0.479 189 N N 2.016 120.781 118.700 0.107 0.000 2.738 189 N HA -0.124 4.616 4.740 -0.000 0.000 0.249 189 N C -0.869 174.581 175.510 -0.100 0.000 1.047 189 N CA 1.062 54.149 53.050 0.061 0.000 0.707 189 N CB -1.390 37.180 38.487 0.138 0.000 0.937 189 N HN 0.501 nan 8.380 nan 0.000 0.545 190 T N -1.776 112.544 114.554 -0.390 0.000 2.900 190 T HA 0.446 4.796 4.350 -0.000 0.000 0.307 190 T C -2.281 172.031 174.700 -0.648 0.000 1.065 190 T CA -1.218 60.299 62.100 -0.971 0.000 1.105 190 T CB 1.102 69.586 68.868 -0.641 0.000 0.979 190 T HN 0.036 nan 8.240 nan 0.000 0.544 191 P HA 0.191 nan 4.420 nan 0.000 0.264 191 P C 0.339 177.491 177.300 -0.246 0.000 1.193 191 P CA -0.288 62.489 63.100 -0.538 0.000 0.763 191 P CB 0.473 31.735 31.700 -0.730 0.000 0.810 192 K N 2.883 123.181 120.400 -0.171 0.000 2.103 192 K HA 0.074 4.394 4.320 -0.000 0.000 0.204 192 K C 0.539 177.343 176.600 0.340 0.000 1.052 192 K CA 1.283 57.667 56.287 0.163 0.000 0.945 192 K CB -0.150 32.456 32.500 0.177 0.000 0.722 192 K HN 0.613 nan 8.250 nan 0.000 0.443 193 F N -2.736 117.234 119.950 0.034 0.000 2.713 193 F HA 0.454 4.981 4.527 -0.000 0.000 0.311 193 F C -1.581 174.117 175.800 -0.171 0.000 1.141 193 F CA -1.908 56.110 58.000 0.030 0.000 0.939 193 F CB 0.717 39.776 39.000 0.098 0.000 1.325 193 F HN -0.319 nan 8.300 nan 0.000 0.453 194 L N 3.017 124.356 121.223 0.194 0.000 2.295 194 L HA 0.568 4.908 4.340 -0.000 0.000 0.285 194 L C -1.557 175.540 176.870 0.377 0.000 1.035 194 L CA -0.855 54.059 54.840 0.124 0.000 0.806 194 L CB 1.328 43.421 42.059 0.057 0.000 1.214 194 L HN 0.742 nan 8.230 nan 0.000 0.426 195 Y N 4.032 124.488 120.300 0.260 0.000 2.364 195 Y HA 0.705 5.255 4.550 -0.000 0.000 0.340 195 Y C -0.578 175.397 175.900 0.125 0.000 0.975 195 Y CA -0.168 58.059 58.100 0.211 0.000 1.089 195 Y CB 1.710 40.362 38.460 0.321 0.000 1.192 195 Y HN 0.781 nan 8.280 nan 0.000 0.454 196 T N 4.514 118.752 114.554 -0.526 0.000 2.821 196 T HA 0.517 4.867 4.350 -0.000 0.000 0.306 196 T C -2.055 172.353 174.700 -0.486 0.000 1.313 196 T CA -0.605 61.247 62.100 -0.413 0.000 1.012 196 T CB 1.153 69.990 68.868 -0.052 0.000 1.298 196 T HN 0.434 nan 8.240 nan 0.000 0.502 197 V N 5.122 124.890 119.914 -0.243 0.000 2.293 197 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 197 V C -1.776 174.309 176.094 -0.016 0.000 1.021 197 V CA -1.444 60.785 62.300 -0.117 0.000 0.815 197 V CB 1.178 32.988 31.823 -0.022 0.000 1.025 197 V HN 0.716 nan 8.190 nan 0.000 0.448 198 P HA 0.044 nan 4.420 nan 0.000 0.231 198 P C 0.159 177.467 177.300 0.014 0.000 1.168 198 P CA 0.727 63.848 63.100 0.036 0.000 0.779 198 P CB 0.327 32.055 31.700 0.046 0.000 0.844 199 N N 0.035 118.752 118.700 0.029 0.000 2.399 199 N HA 0.339 5.079 4.740 -0.000 0.000 0.280 199 N C 0.339 175.873 175.510 0.040 0.000 1.008 199 N CA -0.216 52.842 53.050 0.014 0.000 0.894 199 N CB 1.513 40.000 38.487 -0.000 0.000 1.273 199 N HN -0.023 nan 8.380 nan 0.000 0.486 200 G N 2.014 110.793 108.800 -0.034 0.000 2.338 200 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.296 200 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.296 200 G C 0.243 175.069 174.900 -0.123 0.000 1.040 200 G CA -0.008 45.022 45.100 -0.117 0.000 1.004 200 G HN 0.813 nan 8.290 nan 0.000 0.509 201 N N -0.149 118.520 118.700 -0.051 0.000 2.225 201 N HA -0.076 4.664 4.740 -0.000 0.000 0.257 201 N C 0.167 175.597 175.510 -0.135 0.000 1.252 201 N CA 0.340 53.357 53.050 -0.055 0.000 0.833 201 N CB 0.182 38.613 38.487 -0.094 0.000 1.068 201 N HN 0.389 nan 8.380 nan 0.000 0.468 202 N N 4.309 122.971 118.700 -0.062 0.000 2.414 202 N HA 0.232 4.972 4.740 -0.000 0.000 0.256 202 N C -2.015 173.241 175.510 -0.422 0.000 1.029 202 N CA -2.142 50.793 53.050 -0.191 0.000 0.948 202 N CB 1.266 39.783 38.487 0.051 0.000 1.102 202 N HN 0.431 nan 8.380 nan 0.000 0.496 203 P HA 0.100 nan 4.420 nan 0.000 0.272 203 P C 0.760 177.574 177.300 -0.810 0.000 1.276 203 P CA 0.309 62.712 63.100 -1.162 0.000 0.871 203 P CB 0.298 30.773 31.700 -2.041 0.000 1.313 204 T N -3.936 110.127 114.554 -0.817 0.000 2.904 204 T HA 0.126 4.475 4.350 -0.000 0.000 0.267 204 T C 1.794 176.463 174.700 -0.051 0.000 1.059 204 T CA 1.475 63.209 62.100 -0.610 0.000 1.137 204 T CB -1.330 67.242 68.868 -0.492 0.000 0.879 204 T HN 0.185 nan 8.240 nan 0.000 0.467 205 G N 1.513 110.293 108.800 -0.034 0.000 2.179 205 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 205 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 205 G C -0.090 174.857 174.900 0.078 0.000 0.977 205 G CA 0.111 45.262 45.100 0.084 0.000 0.641 205 G HN 0.734 nan 8.290 nan 0.000 0.533 206 N N 0.412 119.132 118.700 0.033 0.000 2.524 206 N HA 0.582 5.322 4.740 -0.000 0.000 0.283 206 N C -0.271 175.240 175.510 0.001 0.000 1.142 206 N CA 0.164 53.232 53.050 0.030 0.000 0.984 206 N CB 1.092 39.586 38.487 0.011 0.000 1.155 206 N HN 0.190 nan 8.380 nan 0.000 0.467 207 S N 0.920 116.622 115.700 0.003 0.000 2.536 207 S HA 0.391 4.861 4.470 -0.000 0.000 0.298 207 S C -0.243 174.353 174.600 -0.007 0.000 1.083 207 S CA -0.778 57.418 58.200 -0.007 0.000 0.995 207 S CB 1.207 64.396 63.200 -0.019 0.000 1.058 207 S HN 0.299 nan 8.310 nan 0.000 0.488 208 L N 2.542 123.760 121.223 -0.009 0.000 2.439 208 L HA 0.271 4.611 4.340 -0.000 0.000 0.269 208 L C 1.122 177.970 176.870 -0.038 0.000 1.179 208 L CA -0.209 54.623 54.840 -0.013 0.000 0.828 208 L CB 0.671 42.721 42.059 -0.015 0.000 1.106 208 L HN 0.798 nan 8.230 nan 0.000 0.467 209 T N -1.392 113.143 114.554 -0.031 0.000 2.874 209 T HA 0.089 4.438 4.350 -0.000 0.000 0.281 209 T C 1.105 175.762 174.700 -0.071 0.000 0.994 209 T CA -0.291 61.785 62.100 -0.039 0.000 1.015 209 T CB 1.620 70.477 68.868 -0.019 0.000 1.028 209 T HN 0.586 nan 8.240 nan 0.000 0.523 210 S N 0.782 116.438 115.700 -0.073 0.000 2.359 210 S HA -0.208 4.262 4.470 -0.000 0.000 0.223 210 S C 1.767 176.328 174.600 -0.066 0.000 1.039 210 S CA 2.159 60.305 58.200 -0.090 0.000 1.042 210 S CB -0.759 62.400 63.200 -0.069 0.000 0.915 210 S HN 0.850 nan 8.310 nan 0.000 0.439 211 E N 0.947 121.126 120.200 -0.034 0.000 2.058 211 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 211 E C 2.353 178.962 176.600 0.015 0.000 0.997 211 E CA 1.262 57.658 56.400 -0.007 0.000 0.801 211 E CB -0.286 29.415 29.700 0.001 0.000 0.746 211 E HN 0.476 nan 8.360 nan 0.000 0.450 212 R N 0.780 121.290 120.500 0.017 0.000 2.092 212 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 212 R C 2.214 178.569 176.300 0.092 0.000 1.119 212 R CA 1.275 57.410 56.100 0.057 0.000 0.970 212 R CB -0.165 30.169 30.300 0.058 0.000 0.864 212 R HN 0.098 nan 8.270 nan 0.000 0.440 213 K N 0.893 121.288 120.400 -0.008 0.000 2.032 213 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 213 K C 1.968 178.655 176.600 0.145 0.000 1.048 213 K CA 1.745 57.981 56.287 -0.085 0.000 0.927 213 K CB -0.052 32.106 32.500 -0.569 0.000 0.712 213 K HN 0.134 nan 8.250 nan 0.000 0.441 214 K N 0.950 121.390 120.400 0.067 0.000 2.063 214 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 214 K C 2.026 178.740 176.600 0.189 0.000 1.048 214 K CA 1.620 57.978 56.287 0.118 0.000 0.928 214 K CB -0.069 32.458 32.500 0.044 0.000 0.713 214 K HN 0.255 nan 8.250 nan 0.000 0.442 215 E N 0.765 121.060 120.200 0.159 0.000 2.072 215 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 215 E C 2.098 178.817 176.600 0.199 0.000 0.985 215 E CA 0.912 57.406 56.400 0.156 0.000 0.801 215 E CB -0.132 29.643 29.700 0.124 0.000 0.750 215 E HN 0.281 nan 8.360 nan 0.000 0.452 216 I N 0.353 121.082 120.570 0.266 0.000 2.226 216 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 216 I C 2.379 178.631 176.117 0.225 0.000 1.100 216 I CA 1.093 62.566 61.300 0.287 0.000 1.374 216 I CB -0.262 37.980 38.000 0.404 0.000 1.057 216 I HN 0.096 nan 8.210 nan 0.000 0.413 217 Y N 1.728 122.167 120.300 0.232 0.000 2.128 217 Y HA -0.306 4.244 4.550 -0.000 0.000 0.284 217 Y C 2.547 178.452 175.900 0.009 0.000 1.154 217 Y CA 1.909 60.079 58.100 0.117 0.000 1.149 217 Y CB -0.187 38.388 38.460 0.191 0.000 0.976 217 Y HN 0.139 nan 8.280 nan 0.000 0.505 218 E N -0.552 119.758 120.200 0.184 0.000 2.070 218 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 218 E C 1.998 178.576 176.600 -0.037 0.000 1.004 218 E CA 1.506 57.954 56.400 0.080 0.000 0.805 218 E CB -0.293 29.475 29.700 0.113 0.000 0.744 218 E HN 0.311 nan 8.360 nan 0.000 0.451 219 L N 0.473 121.706 121.223 0.017 0.000 2.042 219 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 219 L C 2.323 179.060 176.870 -0.222 0.000 1.076 219 L CA 1.949 56.834 54.840 0.074 0.000 0.749 219 L CB -1.154 41.035 42.059 0.217 0.000 0.893 219 L HN 0.095 nan 8.230 nan 0.000 0.432 220 A N -0.605 121.821 122.820 -0.657 0.000 1.933 220 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 220 A C 2.508 179.531 177.584 -0.935 0.000 1.175 220 A CA 1.834 52.924 52.037 -1.579 0.000 0.628 220 A CB -0.517 17.782 19.000 -1.169 0.000 0.814 220 A HN 0.434 nan 8.150 nan 0.000 0.444 221 R N -0.057 120.073 120.500 -0.617 0.000 2.062 221 R HA -0.090 4.249 4.340 -0.000 0.000 0.229 221 R C 2.220 178.359 176.300 -0.269 0.000 1.128 221 R CA 1.836 57.700 56.100 -0.392 0.000 0.960 221 R CB -0.367 29.776 30.300 -0.261 0.000 0.855 221 R HN 0.439 nan 8.270 nan 0.000 0.432 222 K N -0.560 119.697 120.400 -0.238 0.000 2.063 222 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 222 K C 0.879 177.234 176.600 -0.408 0.000 1.048 222 K CA 1.695 57.807 56.287 -0.292 0.000 0.928 222 K CB -0.086 32.240 32.500 -0.289 0.000 0.713 222 K HN 0.328 nan 8.250 nan 0.000 0.442 223 Y N 0.661 120.883 120.300 -0.131 0.000 2.493 223 Y HA 0.095 4.644 4.550 -0.000 0.000 0.275 223 Y C -0.250 175.626 175.900 -0.040 0.000 1.183 223 Y CA -0.084 58.002 58.100 -0.022 0.000 1.258 223 Y CB 0.139 38.698 38.460 0.164 0.000 1.108 223 Y HN 0.203 nan 8.280 nan 0.000 0.521 224 D N 1.086 121.437 120.400 -0.081 0.000 2.740 224 D HA -0.244 4.396 4.640 -0.000 0.000 0.231 224 D C -0.870 175.525 176.300 0.158 0.000 1.194 224 D CA 0.744 54.724 54.000 -0.033 0.000 0.673 224 D CB -1.218 39.598 40.800 0.027 0.000 0.995 224 D HN 0.346 nan 8.370 nan 0.000 0.411 225 F N -1.415 118.575 119.950 0.068 0.000 2.598 225 F HA 0.716 5.243 4.527 -0.000 0.000 0.327 225 F C -0.411 175.347 175.800 -0.070 0.000 1.057 225 F CA -1.728 56.328 58.000 0.094 0.000 0.957 225 F CB 0.535 39.560 39.000 0.042 0.000 1.278 225 F HN -0.177 nan 8.300 nan 0.000 0.484 226 L N 2.236 123.565 121.223 0.177 0.000 2.436 226 L HA 0.405 4.744 4.340 -0.000 0.000 0.265 226 L C -0.114 176.848 176.870 0.153 0.000 1.168 226 L CA -0.719 54.097 54.840 -0.041 0.000 0.815 226 L CB 0.789 42.762 42.059 -0.144 0.000 1.109 226 L HN 0.607 nan 8.230 nan 0.000 0.462 227 I N 3.550 124.101 120.570 -0.032 0.000 2.339 227 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 227 I C -0.094 175.959 176.117 -0.107 0.000 0.994 227 I CA -0.544 60.700 61.300 -0.093 0.000 1.191 227 I CB 1.538 39.310 38.000 -0.380 0.000 1.343 227 I HN 0.465 nan 8.210 nan 0.000 0.458 228 I N 5.070 125.601 120.570 -0.065 0.000 2.307 228 I HA 0.366 4.536 4.170 -0.000 0.000 0.289 228 I C -0.158 175.874 176.117 -0.142 0.000 1.021 228 I CA 0.006 61.242 61.300 -0.107 0.000 1.224 228 I CB 0.962 38.881 38.000 -0.135 0.000 1.376 228 I HN 0.628 nan 8.210 nan 0.000 0.470 229 E N 5.824 125.938 120.200 -0.143 0.000 2.042 229 E HA 0.127 4.477 4.350 -0.000 0.000 0.260 229 E C -1.048 175.449 176.600 -0.171 0.000 0.975 229 E CA -0.601 55.731 56.400 -0.113 0.000 0.799 229 E CB 0.490 30.178 29.700 -0.020 0.000 1.131 229 E HN 0.692 nan 8.360 nan 0.000 0.423 230 D N 3.736 123.998 120.400 -0.231 0.000 2.393 230 D HA 0.077 4.717 4.640 -0.000 0.000 0.232 230 D C -0.935 175.258 176.300 -0.178 0.000 1.192 230 D CA -0.247 53.640 54.000 -0.188 0.000 0.882 230 D CB 0.829 41.558 40.800 -0.118 0.000 1.038 230 D HN 0.250 nan 8.370 nan 0.000 0.499 231 D N 4.527 124.806 120.400 -0.201 0.000 2.943 231 D HA 0.183 4.823 4.640 -0.000 0.000 0.347 231 D C -1.782 174.389 176.300 -0.215 0.000 1.305 231 D CA -1.592 52.308 54.000 -0.168 0.000 0.870 231 D CB 1.139 41.833 40.800 -0.178 0.000 1.081 231 D HN 0.282 nan 8.370 nan 0.000 0.492 232 P HA -0.065 nan 4.420 nan 0.000 0.233 232 P C 0.345 177.295 177.300 -0.583 0.000 1.167 232 P CA 0.547 63.338 63.100 -0.514 0.000 0.770 232 P CB 0.031 31.297 31.700 -0.724 0.000 0.837 233 Y N -3.139 117.127 120.300 -0.056 0.000 2.636 233 Y HA 0.206 4.756 4.550 -0.000 0.000 0.260 233 Y C 2.022 177.855 175.900 -0.111 0.000 1.177 233 Y CA -0.962 57.079 58.100 -0.099 0.000 1.209 233 Y CB -1.030 37.334 38.460 -0.160 0.000 1.166 233 Y HN -0.162 nan 8.280 nan 0.000 0.531 234 Y N 0.048 120.259 120.300 -0.148 0.000 2.193 234 Y HA -0.257 4.293 4.550 -0.000 0.000 0.285 234 Y C 0.910 176.632 175.900 -0.296 0.000 1.166 234 Y CA 1.641 59.570 58.100 -0.285 0.000 1.181 234 Y CB -0.418 37.755 38.460 -0.478 0.000 0.976 234 Y HN 0.172 nan 8.280 nan 0.000 0.520 235 F N -0.934 119.018 119.950 0.002 0.000 2.645 235 F HA 0.188 4.715 4.527 -0.000 0.000 0.300 235 F C 0.305 176.023 175.800 -0.136 0.000 1.115 235 F CA -0.175 57.784 58.000 -0.068 0.000 1.355 235 F CB 0.372 39.456 39.000 0.139 0.000 1.026 235 F HN -0.029 nan 8.300 nan 0.000 0.536 236 L N 0.486 121.660 121.223 -0.083 0.000 3.288 236 L HA 0.264 4.604 4.340 -0.000 0.000 0.293 236 L C -0.020 176.541 176.870 -0.516 0.000 1.294 236 L CA 0.022 54.729 54.840 -0.223 0.000 1.006 236 L CB -0.036 41.891 42.059 -0.220 0.000 1.407 236 L HN 0.018 nan 8.230 nan 0.000 0.592 237 Q N -0.988 118.563 119.800 -0.416 0.000 2.286 237 Q HA 0.240 4.580 4.340 -0.000 0.000 0.257 237 Q C 0.522 176.311 176.000 -0.353 0.000 0.941 237 Q CA -0.035 55.496 55.803 -0.452 0.000 0.912 237 Q CB 0.936 29.497 28.738 -0.295 0.000 1.192 237 Q HN 0.279 nan 8.270 nan 0.000 0.410 238 F N 0.040 119.984 119.950 -0.010 0.000 2.367 238 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 238 F C 1.336 177.122 175.800 -0.023 0.000 1.094 238 F CA -0.052 57.944 58.000 -0.007 0.000 1.409 238 F CB 0.258 39.261 39.000 0.006 0.000 1.064 238 F HN 0.542 nan 8.300 nan 0.000 0.528 239 N N 2.232 120.998 118.700 0.110 0.000 2.431 239 N HA -0.024 4.716 4.740 -0.000 0.000 0.265 239 N C 0.081 175.590 175.510 -0.002 0.000 1.184 239 N CA 0.091 53.176 53.050 0.059 0.000 0.943 239 N CB 0.552 39.081 38.487 0.070 0.000 1.080 239 N HN 0.245 nan 8.380 nan 0.000 0.477 240 K N 3.298 123.661 120.400 -0.061 0.000 2.627 240 K HA 0.079 4.399 4.320 -0.000 0.000 0.212 240 K C -0.735 175.687 176.600 -0.296 0.000 1.041 240 K CA 0.162 56.355 56.287 -0.156 0.000 1.205 240 K CB 0.030 32.423 32.500 -0.178 0.000 0.936 240 K HN 0.356 nan 8.250 nan 0.000 0.489 241 F N 1.489 121.423 119.950 -0.027 0.000 2.325 241 F HA 0.280 4.807 4.527 -0.000 0.000 0.369 241 F C 0.514 176.282 175.800 -0.054 0.000 1.095 241 F CA -1.101 56.880 58.000 -0.032 0.000 1.082 241 F CB 0.737 39.725 39.000 -0.020 0.000 1.289 241 F HN -0.207 nan 8.300 nan 0.000 0.462 242 R N 1.762 122.330 120.500 0.114 0.000 2.570 242 R HA 0.229 4.569 4.340 -0.000 0.000 0.277 242 R C -0.188 176.141 176.300 0.049 0.000 1.039 242 R CA -0.385 55.706 56.100 -0.015 0.000 1.065 242 R CB 0.943 31.168 30.300 -0.126 0.000 0.964 242 R HN 0.479 nan 8.270 nan 0.000 0.428 243 V N 5.753 125.676 119.914 0.016 0.000 2.655 243 V HA 0.111 4.231 4.120 -0.000 0.000 0.300 243 V C -1.969 174.146 176.094 0.035 0.000 1.044 243 V CA -1.594 60.710 62.300 0.007 0.000 1.095 243 V CB 0.583 32.386 31.823 -0.033 0.000 0.952 243 V HN 0.637 nan 8.190 nan 0.000 0.485 244 P HA 0.097 nan 4.420 nan 0.000 0.263 244 P C -0.174 177.079 177.300 -0.079 0.000 1.175 244 P CA 0.448 63.540 63.100 -0.013 0.000 0.761 244 P CB 0.096 31.759 31.700 -0.062 0.000 0.794 245 T N -0.638 113.884 114.554 -0.053 0.000 2.874 245 T HA 0.293 4.643 4.350 -0.000 0.000 0.281 245 T C 1.008 175.576 174.700 -0.220 0.000 0.994 245 T CA -0.370 61.622 62.100 -0.180 0.000 1.015 245 T CB 0.225 68.919 68.868 -0.289 0.000 1.028 245 T HN 0.139 nan 8.240 nan 0.000 0.523 246 F N -0.062 119.826 119.950 -0.104 0.000 2.126 246 F HA -0.028 4.498 4.527 -0.000 0.000 0.299 246 F C 2.286 178.009 175.800 -0.127 0.000 1.096 246 F CA 0.803 58.762 58.000 -0.069 0.000 1.255 246 F CB -0.410 38.592 39.000 0.003 0.000 0.997 246 F HN 0.412 nan 8.300 nan 0.000 0.479 247 L N 0.494 121.703 121.223 -0.022 0.000 2.042 247 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 247 L C 2.620 179.424 176.870 -0.110 0.000 1.076 247 L CA 2.148 56.919 54.840 -0.114 0.000 0.749 247 L CB -1.003 40.884 42.059 -0.287 0.000 0.893 247 L HN 0.194 nan 8.230 nan 0.000 0.432 248 S N -0.440 115.196 115.700 -0.107 0.000 2.442 248 S HA -0.215 4.255 4.470 -0.000 0.000 0.236 248 S C 1.690 176.217 174.600 -0.121 0.000 1.007 248 S CA 1.210 59.373 58.200 -0.061 0.000 0.965 248 S CB -0.733 62.466 63.200 -0.002 0.000 0.773 248 S HN 0.677 nan 8.310 nan 0.000 0.504 249 M N -0.051 119.436 119.600 -0.189 0.000 2.404 249 M HA 0.420 4.900 4.480 -0.000 0.000 0.271 249 M C -0.203 175.775 176.300 -0.536 0.000 1.128 249 M CA -0.089 55.012 55.300 -0.332 0.000 0.982 249 M CB -0.191 32.183 32.600 -0.377 0.000 1.445 249 M HN -0.081 nan 8.290 nan 0.000 0.495 250 D N 2.270 122.499 120.400 -0.286 0.000 2.608 250 D HA 0.079 4.719 4.640 -0.000 0.000 0.224 250 D C 1.091 177.394 176.300 0.004 0.000 1.123 250 D CA -0.083 53.857 54.000 -0.101 0.000 1.030 250 D CB 0.659 41.491 40.800 0.052 0.000 1.093 250 D HN 0.181 nan 8.370 nan 0.000 0.497 251 V N 2.184 122.111 119.914 0.021 0.000 2.667 251 V HA -0.116 4.004 4.120 -0.000 0.000 0.252 251 V C 1.005 177.282 176.094 0.304 0.000 1.065 251 V CA 1.543 63.932 62.300 0.150 0.000 1.083 251 V CB 0.012 31.900 31.823 0.108 0.000 0.692 251 V HN 0.304 nan 8.190 nan 0.000 0.468 252 D N 0.690 121.284 120.400 0.323 0.000 2.323 252 D HA 0.150 4.790 4.640 -0.000 0.000 0.209 252 D C 1.605 178.066 176.300 0.269 0.000 0.973 252 D CA 1.059 55.214 54.000 0.258 0.000 0.874 252 D CB -0.064 40.827 40.800 0.151 0.000 0.930 252 D HN 0.652 nan 8.370 nan 0.000 0.521 253 G N 2.185 111.139 108.800 0.256 0.000 2.256 253 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.272 253 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.272 253 G C 0.699 175.722 174.900 0.205 0.000 1.076 253 G CA 0.420 45.656 45.100 0.227 0.000 0.882 253 G HN 0.508 nan 8.290 nan 0.000 0.497 254 R N -1.560 119.013 120.500 0.122 0.000 2.472 254 R HA 0.504 4.844 4.340 -0.000 0.000 0.279 254 R C 0.093 176.372 176.300 -0.034 0.000 0.953 254 R CA -0.250 55.848 56.100 -0.005 0.000 1.088 254 R CB 0.676 30.893 30.300 -0.138 0.000 1.197 254 R HN 0.281 nan 8.270 nan 0.000 0.536 255 V N 2.408 122.336 119.914 0.023 0.000 2.427 255 V HA 0.390 4.510 4.120 -0.000 0.000 0.286 255 V C -0.054 176.000 176.094 -0.067 0.000 1.034 255 V CA -0.653 61.638 62.300 -0.016 0.000 0.893 255 V CB 1.800 33.656 31.823 0.055 0.000 0.982 255 V HN 0.209 nan 8.190 nan 0.000 0.452 256 I N 5.539 126.046 120.570 -0.105 0.000 2.355 256 I HA 0.522 4.692 4.170 -0.000 0.000 0.288 256 I C 0.116 176.146 176.117 -0.146 0.000 0.999 256 I CA -0.418 60.804 61.300 -0.130 0.000 1.163 256 I CB 1.339 39.246 38.000 -0.155 0.000 1.316 256 I HN 0.573 nan 8.210 nan 0.000 0.454 257 R N 5.741 126.144 120.500 -0.161 0.000 2.445 257 R HA 0.802 5.142 4.340 -0.000 0.000 0.308 257 R C -1.140 175.015 176.300 -0.242 0.000 0.961 257 R CA -0.443 55.535 56.100 -0.204 0.000 0.862 257 R CB 1.654 31.807 30.300 -0.245 0.000 1.144 257 R HN 0.710 nan 8.270 nan 0.000 0.447 258 A N 4.289 126.947 122.820 -0.270 0.000 2.303 258 A HA 0.408 4.728 4.320 -0.000 0.000 0.320 258 A C -1.107 176.216 177.584 -0.435 0.000 1.192 258 A CA -0.741 51.103 52.037 -0.321 0.000 0.821 258 A CB 1.011 19.864 19.000 -0.245 0.000 1.188 258 A HN 0.836 nan 8.150 nan 0.000 0.492 259 D N 0.689 120.671 120.400 -0.696 0.000 2.350 259 D HA 0.580 5.220 4.640 -0.000 0.000 0.238 259 D C -0.849 174.998 176.300 -0.755 0.000 0.989 259 D CA -0.039 53.453 54.000 -0.847 0.000 0.921 259 D CB 2.203 42.041 40.800 -1.604 0.000 1.297 259 D HN 0.430 nan 8.370 nan 0.000 0.490 260 S N 0.530 115.976 115.700 -0.423 0.000 2.538 260 S HA 0.383 4.853 4.470 -0.000 0.000 0.288 260 S C -0.527 174.118 174.600 0.074 0.000 1.108 260 S CA -0.562 57.521 58.200 -0.196 0.000 0.971 260 S CB 0.566 63.673 63.200 -0.154 0.000 1.041 260 S HN 0.255 nan 8.310 nan 0.000 0.483 261 F N 2.355 122.422 119.950 0.194 0.000 2.660 261 F HA 0.303 4.830 4.527 -0.000 0.000 0.302 261 F C 2.158 178.047 175.800 0.150 0.000 1.103 261 F CA -0.221 57.916 58.000 0.228 0.000 1.340 261 F CB -0.408 38.730 39.000 0.230 0.000 1.048 261 F HN 0.490 nan 8.300 nan 0.000 0.551 262 S N -0.097 115.751 115.700 0.245 0.000 2.402 262 S HA -0.111 4.359 4.470 -0.000 0.000 0.229 262 S C 2.072 176.762 174.600 0.150 0.000 1.021 262 S CA 1.042 59.336 58.200 0.157 0.000 0.974 262 S CB 0.044 63.288 63.200 0.074 0.000 0.800 262 S HN 0.210 nan 8.310 nan 0.000 0.484 263 K N 1.369 121.853 120.400 0.140 0.000 2.314 263 K HA 0.223 4.543 4.320 -0.000 0.000 0.198 263 K C 1.766 178.481 176.600 0.191 0.000 1.045 263 K CA 0.550 56.914 56.287 0.130 0.000 0.988 263 K CB -0.312 32.214 32.500 0.044 0.000 0.783 263 K HN 0.607 nan 8.250 nan 0.000 0.484 264 I N -3.888 116.836 120.570 0.258 0.000 4.139 264 I HA 0.240 4.410 4.170 -0.000 0.000 0.320 264 I C 1.633 177.975 176.117 0.376 0.000 1.290 264 I CA 0.183 61.661 61.300 0.296 0.000 1.253 264 I CB 0.206 38.368 38.000 0.270 0.000 1.122 264 I HN -0.178 nan 8.210 nan 0.000 0.421 265 I N -0.668 120.055 120.570 0.255 0.000 3.873 265 I HA 0.234 4.404 4.170 -0.000 0.000 0.284 265 I C 0.393 176.563 176.117 0.089 0.000 1.186 265 I CA 0.194 61.561 61.300 0.112 0.000 1.362 265 I CB 1.093 39.032 38.000 -0.102 0.000 1.432 265 I HN 0.183 nan 8.210 nan 0.000 0.454 266 S N -0.544 115.238 115.700 0.136 0.000 2.551 266 S HA 0.112 4.582 4.470 -0.000 0.000 0.325 266 S C 0.507 175.184 174.600 0.128 0.000 0.963 266 S CA -0.065 58.200 58.200 0.107 0.000 0.876 266 S CB 0.633 63.872 63.200 0.064 0.000 1.132 266 S HN 0.237 nan 8.310 nan 0.000 0.458 267 S N 3.396 119.164 115.700 0.114 0.000 2.387 267 S HA 0.083 4.553 4.470 -0.000 0.000 0.226 267 S C 1.976 176.626 174.600 0.083 0.000 1.026 267 S CA 1.004 59.266 58.200 0.104 0.000 0.972 267 S CB -0.707 62.554 63.200 0.102 0.000 0.814 267 S HN 1.073 nan 8.310 nan 0.000 0.477 268 G N 1.634 110.475 108.800 0.069 0.000 2.511 268 G HA2 0.114 4.074 3.960 -0.000 0.000 0.217 268 G HA3 0.114 4.074 3.960 -0.000 0.000 0.217 268 G C 1.319 176.246 174.900 0.044 0.000 1.133 268 G CA 0.262 45.392 45.100 0.049 0.000 0.792 268 G HN 0.488 nan 8.290 nan 0.000 0.539 269 L N -0.781 120.477 121.223 0.058 0.000 2.275 269 L HA 0.090 4.430 4.340 -0.000 0.000 0.215 269 L C 0.766 177.679 176.870 0.072 0.000 1.119 269 L CA -0.022 54.856 54.840 0.063 0.000 0.790 269 L CB -0.175 41.931 42.059 0.079 0.000 0.919 269 L HN 0.078 nan 8.230 nan 0.000 0.443 270 R N 0.896 121.443 120.500 0.078 0.000 3.076 270 R HA -0.118 4.222 4.340 -0.000 0.000 0.261 270 R C -1.123 175.232 176.300 0.091 0.000 0.930 270 R CA 0.503 56.646 56.100 0.071 0.000 0.649 270 R CB -2.276 28.052 30.300 0.046 0.000 1.350 270 R HN 0.157 nan 8.270 nan 0.000 0.453 271 I N -0.125 120.522 120.570 0.129 0.000 2.500 271 I HA 0.562 4.732 4.170 -0.000 0.000 0.286 271 I C 1.053 177.273 176.117 0.173 0.000 1.063 271 I CA -0.376 61.022 61.300 0.163 0.000 1.062 271 I CB 1.868 39.999 38.000 0.219 0.000 1.223 271 I HN 0.381 nan 8.210 nan 0.000 0.435 272 G N 5.400 114.268 108.800 0.114 0.000 3.015 272 G HA2 0.879 4.839 3.960 -0.000 0.000 0.281 272 G HA3 0.879 4.839 3.960 -0.000 0.000 0.281 272 G C -1.566 173.434 174.900 0.167 0.000 1.386 272 G CA -0.490 44.632 45.100 0.035 0.000 0.959 272 G HN 0.380 nan 8.290 nan 0.000 0.522 273 F N -2.169 117.676 119.950 -0.175 0.000 2.645 273 F HA 0.831 5.358 4.527 -0.000 0.000 0.310 273 F C -1.612 174.112 175.800 -0.127 0.000 1.102 273 F CA -1.709 56.210 58.000 -0.135 0.000 0.952 273 F CB 1.893 40.812 39.000 -0.136 0.000 1.326 273 F HN 0.508 nan 8.300 nan 0.000 0.456 274 L N 1.594 122.847 121.223 0.049 0.000 2.381 274 L HA 0.824 5.164 4.340 -0.000 0.000 0.274 274 L C -0.976 175.888 176.870 -0.010 0.000 0.988 274 L CA -0.023 54.778 54.840 -0.066 0.000 0.824 274 L CB 2.229 44.241 42.059 -0.078 0.000 1.263 274 L HN 0.865 nan 8.230 nan 0.000 0.410 275 T N 3.394 117.915 114.554 -0.055 0.000 2.824 275 T HA 0.946 5.296 4.350 -0.000 0.000 0.282 275 T C -0.143 174.507 174.700 -0.083 0.000 0.993 275 T CA -0.236 61.842 62.100 -0.036 0.000 0.967 275 T CB 1.633 70.492 68.868 -0.014 0.000 0.960 275 T HN 0.978 nan 8.240 nan 0.000 0.441 276 G N 2.579 111.331 108.800 -0.080 0.000 2.341 276 G HA2 0.541 4.501 3.960 -0.000 0.000 0.299 276 G HA3 0.541 4.501 3.960 -0.000 0.000 0.299 276 G C -3.379 171.455 174.900 -0.110 0.000 1.274 276 G CA -0.965 44.077 45.100 -0.098 0.000 0.853 276 G HN 0.456 nan 8.290 nan 0.000 0.493 277 P HA 0.106 nan 4.420 nan 0.000 0.262 277 P C 0.821 177.973 177.300 -0.246 0.000 1.182 277 P CA -0.104 62.863 63.100 -0.221 0.000 0.761 277 P CB 0.990 32.413 31.700 -0.462 0.000 0.795 278 K N 5.526 125.824 120.400 -0.169 0.000 2.077 278 K HA -0.191 4.129 4.320 -0.000 0.000 0.213 278 K C -0.964 175.540 176.600 -0.160 0.000 1.051 278 K CA 2.494 58.706 56.287 -0.125 0.000 0.929 278 K CB -1.825 30.640 32.500 -0.060 0.000 0.715 278 K HN 0.388 nan 8.250 nan 0.000 0.451 279 P HA -0.100 nan 4.420 nan 0.000 0.221 279 P C 1.327 178.521 177.300 -0.176 0.000 1.150 279 P CA 0.722 63.705 63.100 -0.195 0.000 0.800 279 P CB 0.132 31.694 31.700 -0.230 0.000 0.787 280 L N -0.921 120.138 121.223 -0.273 0.000 2.049 280 L HA -0.065 4.275 4.340 -0.000 0.000 0.203 280 L C 2.296 179.108 176.870 -0.096 0.000 1.074 280 L CA 1.504 56.251 54.840 -0.156 0.000 0.749 280 L CB -1.649 40.297 42.059 -0.190 0.000 0.907 280 L HN -0.067 nan 8.230 nan 0.000 0.439 281 I N 0.065 120.570 120.570 -0.109 0.000 2.194 281 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 281 I C 2.525 178.618 176.117 -0.040 0.000 1.093 281 I CA 1.400 62.659 61.300 -0.069 0.000 1.355 281 I CB -1.018 36.942 38.000 -0.067 0.000 1.046 281 I HN 0.520 nan 8.210 nan 0.000 0.413 282 E N 0.878 121.051 120.200 -0.045 0.000 2.085 282 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 282 E C 2.274 178.873 176.600 -0.002 0.000 0.994 282 E CA 1.214 57.602 56.400 -0.020 0.000 0.801 282 E CB 0.101 29.788 29.700 -0.022 0.000 0.743 282 E HN 0.232 nan 8.360 nan 0.000 0.453 283 R N 0.529 121.027 120.500 -0.003 0.000 2.091 283 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 283 R C 2.495 178.825 176.300 0.049 0.000 1.136 283 R CA 1.223 57.336 56.100 0.022 0.000 0.959 283 R CB -1.693 28.625 30.300 0.030 0.000 0.856 283 R HN 0.331 nan 8.270 nan 0.000 0.437 284 V N 0.734 120.667 119.914 0.032 0.000 2.358 284 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 284 V C 2.015 178.136 176.094 0.047 0.000 1.047 284 V CA 1.479 63.803 62.300 0.041 0.000 1.035 284 V CB -0.286 31.527 31.823 -0.015 0.000 0.658 284 V HN 0.236 nan 8.190 nan 0.000 0.452 285 I N -0.100 120.487 120.570 0.029 0.000 2.208 285 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 285 I C 2.511 178.661 176.117 0.054 0.000 1.097 285 I CA 2.032 63.352 61.300 0.034 0.000 1.363 285 I CB -0.381 37.631 38.000 0.021 0.000 1.051 285 I HN 0.317 nan 8.210 nan 0.000 0.413 286 L N -0.541 120.717 121.223 0.058 0.000 2.056 286 L HA -0.238 4.102 4.340 -0.000 0.000 0.207 286 L C 2.646 179.577 176.870 0.102 0.000 1.078 286 L CA 1.514 56.388 54.840 0.057 0.000 0.749 286 L CB -0.851 41.228 42.059 0.032 0.000 0.901 286 L HN 0.362 nan 8.230 nan 0.000 0.433 287 H N 0.215 119.287 119.070 0.003 0.000 2.353 287 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 287 H C 2.454 177.784 175.328 0.004 0.000 1.090 287 H CA 1.397 57.447 56.048 0.003 0.000 1.327 287 H CB 0.229 29.991 29.762 0.001 0.000 1.383 287 H HN 0.200 nan 8.280 nan 0.000 0.508 288 I N 0.806 121.441 120.570 0.107 0.000 2.264 288 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 288 I C 2.352 178.501 176.117 0.053 0.000 1.111 288 I CA 1.339 62.655 61.300 0.027 0.000 1.382 288 I CB -0.324 37.683 38.000 0.012 0.000 1.060 288 I HN 0.472 nan 8.210 nan 0.000 0.418 289 Q N 0.008 119.849 119.800 0.068 0.000 2.234 289 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 289 Q C 2.001 178.030 176.000 0.049 0.000 0.980 289 Q CA 1.791 57.626 55.803 0.053 0.000 0.869 289 Q CB -0.069 28.694 28.738 0.041 0.000 0.912 289 Q HN 0.633 nan 8.270 nan 0.000 0.436 290 V N -2.901 117.059 119.914 0.076 0.000 3.542 290 V HA 0.142 4.262 4.120 -0.000 0.000 0.296 290 V C 1.221 177.360 176.094 0.076 0.000 1.364 290 V CA 0.656 62.996 62.300 0.068 0.000 1.118 290 V CB 0.270 32.130 31.823 0.062 0.000 0.972 290 V HN 0.228 nan 8.190 nan 0.000 0.430 291 S N 1.406 117.146 115.700 0.067 0.000 3.169 291 S HA 0.034 4.504 4.470 -0.000 0.000 0.174 291 S C 1.724 176.325 174.600 0.002 0.000 0.696 291 S CA 0.913 59.133 58.200 0.033 0.000 0.819 291 S CB -0.201 62.999 63.200 0.000 0.000 0.867 291 S HN 0.592 nan 8.310 nan 0.000 0.680 292 T N 0.233 114.775 114.554 -0.021 0.000 3.088 292 T HA 0.402 4.752 4.350 -0.000 0.000 0.259 292 T C 1.303 175.963 174.700 -0.067 0.000 1.122 292 T CA 0.631 62.704 62.100 -0.045 0.000 1.095 292 T CB -0.665 68.170 68.868 -0.055 0.000 0.930 292 T HN 0.521 nan 8.240 nan 0.000 0.508 293 L N -0.270 120.946 121.223 -0.011 0.000 2.824 293 L HA -0.248 4.092 4.340 -0.000 0.000 0.395 293 L C 0.623 177.564 176.870 0.119 0.000 1.064 293 L CA 2.081 56.943 54.840 0.036 0.000 3.242 293 L CB -1.906 40.177 42.059 0.040 0.000 0.821 293 L HN 0.875 nan 8.230 nan 0.000 0.792 294 H N -2.234 116.873 119.070 0.062 0.000 2.950 294 H HA 0.512 5.067 4.556 -0.000 0.000 0.307 294 H C -3.206 172.157 175.328 0.059 0.000 1.403 294 H CA -1.472 54.611 56.048 0.058 0.000 1.145 294 H CB 1.548 31.355 29.762 0.075 0.000 1.844 294 H HN -0.134 nan 8.280 nan 0.000 0.515 295 P HA 0.060 nan 4.420 nan 0.000 0.277 295 P C 0.098 177.530 177.300 0.219 0.000 1.240 295 P CA -0.359 62.818 63.100 0.128 0.000 0.798 295 P CB 0.735 32.510 31.700 0.124 0.000 0.979 296 S N 0.602 116.378 115.700 0.126 0.000 2.626 296 S HA -0.057 4.413 4.470 -0.000 0.000 0.303 296 S C 1.648 176.379 174.600 0.217 0.000 1.256 296 S CA 0.628 58.919 58.200 0.153 0.000 1.069 296 S CB -0.471 62.791 63.200 0.103 0.000 0.807 296 S HN 0.662 nan 8.310 nan 0.000 0.500 297 T N 4.858 119.565 114.554 0.255 0.000 2.777 297 T HA -0.140 4.209 4.350 -0.000 0.000 0.266 297 T C 1.441 176.208 174.700 0.112 0.000 1.040 297 T CA 1.619 63.804 62.100 0.140 0.000 1.141 297 T CB -0.604 68.294 68.868 0.050 0.000 0.868 297 T HN 0.700 nan 8.240 nan 0.000 0.444 298 F N 2.469 122.437 119.950 0.030 0.000 2.063 298 F HA -0.144 4.382 4.527 -0.000 0.000 0.298 298 F C 2.097 177.968 175.800 0.118 0.000 1.109 298 F CA 2.380 60.431 58.000 0.086 0.000 1.212 298 F CB -0.577 38.459 39.000 0.060 0.000 0.973 298 F HN 0.364 nan 8.300 nan 0.000 0.480 299 N N -0.980 117.925 118.700 0.342 0.000 2.300 299 N HA -0.148 4.592 4.740 -0.000 0.000 0.179 299 N C 1.738 177.319 175.510 0.118 0.000 1.016 299 N CA 0.790 53.977 53.050 0.229 0.000 0.876 299 N CB -0.200 38.389 38.487 0.170 0.000 0.979 299 N HN 0.466 nan 8.380 nan 0.000 0.432 300 Q N 0.874 120.733 119.800 0.098 0.000 2.084 300 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 300 Q C 2.118 178.113 176.000 -0.009 0.000 0.978 300 Q CA 0.966 56.799 55.803 0.050 0.000 0.844 300 Q CB -0.069 28.699 28.738 0.049 0.000 0.898 300 Q HN 0.410 nan 8.270 nan 0.000 0.426 301 L N -0.064 121.134 121.223 -0.041 0.000 2.046 301 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 301 L C 2.486 179.361 176.870 0.009 0.000 1.077 301 L CA 1.068 55.846 54.840 -0.103 0.000 0.747 301 L CB -0.321 41.526 42.059 -0.354 0.000 0.896 301 L HN 0.332 nan 8.230 nan 0.000 0.432 302 M N -0.582 119.069 119.600 0.086 0.000 2.073 302 M HA -0.284 4.196 4.480 -0.000 0.000 0.258 302 M C 2.304 178.526 176.300 -0.130 0.000 1.070 302 M CA 2.025 57.316 55.300 -0.013 0.000 1.103 302 M CB -0.463 32.119 32.600 -0.029 0.000 1.321 302 M HN 0.188 nan 8.290 nan 0.000 0.405 303 I N -1.027 119.470 120.570 -0.121 0.000 2.202 303 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 303 I C 2.734 178.674 176.117 -0.295 0.000 1.091 303 I CA 1.209 62.375 61.300 -0.223 0.000 1.368 303 I CB -0.452 37.468 38.000 -0.134 0.000 1.058 303 I HN 0.314 nan 8.210 nan 0.000 0.410 304 S N 0.237 115.827 115.700 -0.182 0.000 2.368 304 S HA -0.237 4.233 4.470 -0.000 0.000 0.225 304 S C 2.010 176.552 174.600 -0.097 0.000 1.030 304 S CA 1.556 59.673 58.200 -0.137 0.000 0.999 304 S CB -0.135 63.043 63.200 -0.036 0.000 0.844 304 S HN 0.440 nan 8.310 nan 0.000 0.459 305 Q N 0.010 119.728 119.800 -0.137 0.000 2.123 305 Q HA -0.036 4.303 4.340 -0.000 0.000 0.199 305 Q C 2.267 178.129 176.000 -0.230 0.000 0.966 305 Q CA 1.351 57.074 55.803 -0.133 0.000 0.845 305 Q CB -0.315 28.373 28.738 -0.083 0.000 0.907 305 Q HN 0.553 nan 8.270 nan 0.000 0.439 306 L N 0.363 121.362 121.223 -0.373 0.000 2.017 306 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 306 L C 1.842 178.318 176.870 -0.655 0.000 1.073 306 L CA 1.524 55.989 54.840 -0.626 0.000 0.745 306 L CB -0.300 41.297 42.059 -0.770 0.000 0.894 306 L HN 0.131 nan 8.230 nan 0.000 0.432 307 L N -0.619 120.220 121.223 -0.640 0.000 2.072 307 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 307 L C 2.672 179.206 176.870 -0.560 0.000 1.079 307 L CA 1.604 55.962 54.840 -0.802 0.000 0.752 307 L CB -1.518 39.530 42.059 -1.685 0.000 0.906 307 L HN 0.409 nan 8.230 nan 0.000 0.436 308 H N -0.981 117.822 119.070 -0.445 0.000 2.387 308 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 308 H C 2.044 177.388 175.328 0.026 0.000 1.090 308 H CA 1.355 57.356 56.048 -0.078 0.000 1.332 308 H CB 0.371 30.094 29.762 -0.066 0.000 1.386 308 H HN 0.340 nan 8.280 nan 0.000 0.516 309 E N 0.491 120.724 120.200 0.055 0.000 2.072 309 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 309 E C 2.040 178.752 176.600 0.187 0.000 0.982 309 E CA 0.446 56.885 56.400 0.065 0.000 0.803 309 E CB -0.105 29.563 29.700 -0.052 0.000 0.755 309 E HN 0.380 nan 8.360 nan 0.000 0.453 310 W N 0.835 122.133 121.300 -0.004 0.000 2.363 310 W HA 0.022 4.682 4.660 -0.000 0.000 0.296 310 W C 1.425 178.014 176.519 0.115 0.000 1.212 310 W CA 1.764 59.131 57.345 0.037 0.000 1.260 310 W CB -1.050 28.421 29.460 0.019 0.000 1.131 310 W HN 0.256 nan 8.180 nan 0.000 0.530 311 G N -0.104 108.942 108.800 0.411 0.000 2.752 311 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.234 311 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.234 311 G C 0.587 175.788 174.900 0.502 0.000 1.367 311 G CA 0.268 45.617 45.100 0.415 0.000 0.879 311 G HN 0.233 nan 8.290 nan 0.000 0.563 312 E N -0.178 120.228 120.200 0.343 0.000 2.110 312 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 312 E C 2.438 179.195 176.600 0.262 0.000 0.988 312 E CA 1.577 58.157 56.400 0.301 0.000 0.804 312 E CB -0.067 29.671 29.700 0.065 0.000 0.745 312 E HN 0.664 nan 8.360 nan 0.000 0.458 313 E N -0.120 120.175 120.200 0.158 0.000 2.077 313 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 313 E C 2.097 178.696 176.600 -0.002 0.000 0.989 313 E CA 1.392 57.835 56.400 0.071 0.000 0.800 313 E CB -0.270 29.458 29.700 0.048 0.000 0.746 313 E HN 0.244 nan 8.360 nan 0.000 0.452 314 G N 0.355 109.161 108.800 0.009 0.000 2.408 314 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 314 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 314 G C 1.336 175.915 174.900 -0.535 0.000 1.150 314 G CA 0.599 45.526 45.100 -0.288 0.000 0.776 314 G HN 0.381 nan 8.290 nan 0.000 0.542 315 F N 1.280 121.136 119.950 -0.157 0.000 2.069 315 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 315 F C 2.528 178.256 175.800 -0.120 0.000 1.113 315 F CA 1.553 59.523 58.000 -0.049 0.000 1.214 315 F CB -0.020 39.160 39.000 0.299 0.000 0.978 315 F HN 0.007 nan 8.300 nan 0.000 0.474 316 M N 0.376 119.848 119.600 -0.213 0.000 2.254 316 M HA 0.002 4.482 4.480 -0.000 0.000 0.265 316 M C 2.487 178.619 176.300 -0.280 0.000 1.066 316 M CA 1.333 56.475 55.300 -0.264 0.000 1.123 316 M CB -2.101 30.485 32.600 -0.024 0.000 1.388 316 M HN 0.318 nan 8.290 nan 0.000 0.425 317 A N -0.750 121.908 122.820 -0.271 0.000 1.902 317 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 317 A C 2.072 179.462 177.584 -0.324 0.000 1.181 317 A CA 2.235 54.112 52.037 -0.267 0.000 0.623 317 A CB -1.051 17.798 19.000 -0.251 0.000 0.818 317 A HN 0.593 nan 8.150 nan 0.000 0.443 318 H N 0.080 118.785 119.070 -0.608 0.000 2.299 318 H HA -0.097 4.459 4.556 -0.000 0.000 0.302 318 H C 2.057 177.166 175.328 -0.365 0.000 1.078 318 H CA 2.679 58.392 56.048 -0.559 0.000 1.323 318 H CB -0.425 28.802 29.762 -0.891 0.000 1.381 318 H HN 0.294 nan 8.280 nan 0.000 0.498 319 V N 0.187 119.749 119.914 -0.586 0.000 2.392 319 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 319 V C 1.734 177.663 176.094 -0.274 0.000 1.059 319 V CA 2.487 64.495 62.300 -0.487 0.000 1.051 319 V CB -0.492 31.047 31.823 -0.472 0.000 0.658 319 V HN 0.395 nan 8.190 nan 0.000 0.455 320 D N 0.316 120.578 120.400 -0.231 0.000 2.117 320 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 320 D C 2.442 178.686 176.300 -0.094 0.000 0.987 320 D CA 1.752 55.673 54.000 -0.132 0.000 0.829 320 D CB -0.317 40.409 40.800 -0.123 0.000 0.961 320 D HN 0.527 nan 8.370 nan 0.000 0.460 321 R N 0.243 120.660 120.500 -0.138 0.000 2.096 321 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 321 R C 2.370 178.659 176.300 -0.017 0.000 1.127 321 R CA 0.614 56.667 56.100 -0.077 0.000 0.968 321 R CB -0.247 29.994 30.300 -0.098 0.000 0.861 321 R HN 0.109 nan 8.270 nan 0.000 0.440 322 V N 1.356 121.205 119.914 -0.109 0.000 2.307 322 V HA -0.225 3.894 4.120 -0.000 0.000 0.245 322 V C 2.280 178.547 176.094 0.288 0.000 1.045 322 V CA 1.629 63.965 62.300 0.061 0.000 1.024 322 V CB -0.406 31.353 31.823 -0.107 0.000 0.651 322 V HN 0.252 nan 8.190 nan 0.000 0.449 323 I N 1.754 122.419 120.570 0.158 0.000 2.118 323 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 323 I C 2.317 178.607 176.117 0.288 0.000 1.070 323 I CA 2.366 63.812 61.300 0.244 0.000 1.327 323 I CB -0.628 37.446 38.000 0.122 0.000 1.034 323 I HN 0.547 nan 8.210 nan 0.000 0.405 324 D N 0.157 120.656 120.400 0.163 0.000 2.269 324 D HA -0.232 4.408 4.640 -0.000 0.000 0.208 324 D C 2.011 178.375 176.300 0.106 0.000 0.963 324 D CA 0.547 54.614 54.000 0.111 0.000 0.864 324 D CB -0.720 40.105 40.800 0.041 0.000 0.936 324 D HN 0.408 nan 8.370 nan 0.000 0.505 325 F N 0.488 120.465 119.950 0.045 0.000 2.069 325 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 325 F C 1.732 177.526 175.800 -0.009 0.000 1.113 325 F CA 1.386 59.375 58.000 -0.019 0.000 1.214 325 F CB -0.309 38.645 39.000 -0.078 0.000 0.978 325 F HN -0.127 nan 8.300 nan 0.000 0.474 326 Y N -0.488 119.868 120.300 0.093 0.000 2.352 326 Y HA -0.146 4.404 4.550 -0.000 0.000 0.292 326 Y C 2.932 178.775 175.900 -0.095 0.000 1.136 326 Y CA 1.473 59.639 58.100 0.111 0.000 1.227 326 Y CB -0.880 37.859 38.460 0.465 0.000 0.991 326 Y HN 0.120 nan 8.280 nan 0.000 0.545 327 S N 0.122 115.813 115.700 -0.015 0.000 2.368 327 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 327 S C 1.695 176.053 174.600 -0.403 0.000 1.030 327 S CA 1.876 59.827 58.200 -0.416 0.000 0.999 327 S CB -0.415 62.676 63.200 -0.181 0.000 0.844 327 S HN 0.619 nan 8.310 nan 0.000 0.459 328 N N 0.302 118.816 118.700 -0.310 0.000 2.188 328 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 328 N C 1.980 177.262 175.510 -0.380 0.000 1.018 328 N CA 0.922 53.785 53.050 -0.311 0.000 0.858 328 N CB -0.087 38.249 38.487 -0.252 0.000 0.989 328 N HN 0.295 nan 8.380 nan 0.000 0.426 329 Q N 1.327 120.839 119.800 -0.480 0.000 2.061 329 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 329 Q C 1.963 177.696 176.000 -0.446 0.000 0.984 329 Q CA 1.269 56.841 55.803 -0.384 0.000 0.846 329 Q CB -0.313 28.238 28.738 -0.313 0.000 0.902 329 Q HN 0.423 nan 8.270 nan 0.000 0.421 330 K N 0.682 120.631 120.400 -0.752 0.000 2.032 330 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 330 K C 1.421 177.619 176.600 -0.671 0.000 1.048 330 K CA 1.681 57.243 56.287 -1.209 0.000 0.927 330 K CB 0.014 31.723 32.500 -1.318 0.000 0.712 330 K HN 0.053 nan 8.250 nan 0.000 0.441 331 D N 0.492 120.598 120.400 -0.489 0.000 2.133 331 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 331 D C 1.793 177.927 176.300 -0.277 0.000 0.997 331 D CA 1.553 55.359 54.000 -0.323 0.000 0.840 331 D CB -0.312 40.334 40.800 -0.256 0.000 0.947 331 D HN 0.400 nan 8.370 nan 0.000 0.452 332 A N 0.633 123.288 122.820 -0.276 0.000 1.902 332 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 332 A C 2.315 179.761 177.584 -0.231 0.000 1.181 332 A CA 0.896 52.808 52.037 -0.209 0.000 0.623 332 A CB -0.630 18.270 19.000 -0.165 0.000 0.818 332 A HN 0.300 nan 8.150 nan 0.000 0.443 333 I N -1.141 119.256 120.570 -0.287 0.000 2.584 333 I HA -0.104 4.066 4.170 -0.000 0.000 0.255 333 I C 1.774 177.600 176.117 -0.485 0.000 1.145 333 I CA 0.566 61.673 61.300 -0.321 0.000 1.462 333 I CB 0.048 37.963 38.000 -0.141 0.000 1.102 333 I HN 0.167 nan 8.210 nan 0.000 0.433 334 L N 1.036 122.026 121.223 -0.388 0.000 2.083 334 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 334 L C 2.730 179.455 176.870 -0.240 0.000 1.083 334 L CA 2.077 56.738 54.840 -0.299 0.000 0.752 334 L CB -1.722 40.246 42.059 -0.151 0.000 0.899 334 L HN 0.259 nan 8.230 nan 0.000 0.433 335 A N -0.840 121.844 122.820 -0.226 0.000 1.930 335 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 335 A C 2.483 179.937 177.584 -0.216 0.000 1.175 335 A CA 1.556 53.489 52.037 -0.172 0.000 0.627 335 A CB -0.640 18.273 19.000 -0.146 0.000 0.815 335 A HN 0.374 nan 8.150 nan 0.000 0.443 336 A N -0.105 122.531 122.820 -0.307 0.000 1.898 336 A HA 0.221 4.541 4.320 -0.000 0.000 0.216 336 A C 2.495 179.782 177.584 -0.495 0.000 1.181 336 A CA 1.891 53.740 52.037 -0.314 0.000 0.620 336 A CB -0.978 17.837 19.000 -0.309 0.000 0.819 336 A HN 0.973 nan 8.150 nan 0.000 0.442 337 A N 0.255 122.533 122.820 -0.903 0.000 1.858 337 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 337 A C 1.805 179.261 177.584 -0.213 0.000 1.190 337 A CA 1.914 53.433 52.037 -0.864 0.000 0.617 337 A CB -0.677 17.382 19.000 -1.569 0.000 0.827 337 A HN 0.456 nan 8.150 nan 0.000 0.443 338 D N -0.504 119.899 120.400 0.005 0.000 2.123 338 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 338 D C 1.877 178.174 176.300 -0.006 0.000 0.992 338 D CA 1.652 55.752 54.000 0.168 0.000 0.833 338 D CB -0.283 40.567 40.800 0.083 0.000 0.954 338 D HN 0.589 nan 8.370 nan 0.000 0.455 339 K N -0.617 119.686 120.400 -0.162 0.000 2.044 339 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 339 K C 1.846 178.159 176.600 -0.479 0.000 1.049 339 K CA 1.528 57.568 56.287 -0.412 0.000 0.927 339 K CB -0.098 32.037 32.500 -0.608 0.000 0.713 339 K HN 0.212 nan 8.250 nan 0.000 0.443 340 W N -1.217 120.105 121.300 0.036 0.000 2.915 340 W HA 0.168 4.828 4.660 -0.000 0.000 0.276 340 W C 1.109 177.698 176.519 0.117 0.000 1.215 340 W CA -0.652 56.743 57.345 0.084 0.000 1.514 340 W CB 0.441 29.977 29.460 0.126 0.000 1.017 340 W HN 0.023 nan 8.180 nan 0.000 0.598 341 L N 0.015 121.445 121.223 0.345 0.000 2.693 341 L HA 0.247 4.587 4.340 -0.000 0.000 0.235 341 L C 0.707 177.792 176.870 0.358 0.000 1.127 341 L CA 0.698 55.750 54.840 0.353 0.000 0.914 341 L CB -0.777 41.486 42.059 0.341 0.000 1.193 341 L HN -0.344 nan 8.230 nan 0.000 0.502 342 T N 0.105 114.830 114.554 0.284 0.000 2.908 342 T HA 0.344 4.694 4.350 -0.000 0.000 0.301 342 T C 1.331 176.090 174.700 0.098 0.000 1.019 342 T CA 0.980 63.180 62.100 0.168 0.000 1.152 342 T CB 0.426 69.345 68.868 0.086 0.000 0.966 342 T HN 0.552 nan 8.240 nan 0.000 0.540 343 G N 2.503 111.330 108.800 0.046 0.000 2.245 343 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 343 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 343 G C 0.772 175.700 174.900 0.047 0.000 0.985 343 G CA 0.519 45.634 45.100 0.026 0.000 0.625 343 G HN 0.667 nan 8.290 nan 0.000 0.536 344 L N -0.285 120.996 121.223 0.097 0.000 2.556 344 L HA 0.683 5.023 4.340 -0.000 0.000 0.226 344 L C 1.253 178.185 176.870 0.103 0.000 1.089 344 L CA 0.812 55.709 54.840 0.096 0.000 0.864 344 L CB 0.192 42.325 42.059 0.123 0.000 1.067 344 L HN 0.626 nan 8.230 nan 0.000 0.477 345 A N -0.160 122.761 122.820 0.169 0.000 2.602 345 A HA 0.739 5.059 4.320 -0.000 0.000 0.290 345 A C -1.378 176.298 177.584 0.153 0.000 1.114 345 A CA -0.514 51.639 52.037 0.192 0.000 0.683 345 A CB 1.570 20.759 19.000 0.315 0.000 1.281 345 A HN 0.050 nan 8.150 nan 0.000 0.416 346 E N -0.776 119.481 120.200 0.096 0.000 2.343 346 E HA 0.642 4.992 4.350 -0.000 0.000 0.270 346 E C -1.700 174.959 176.600 0.097 0.000 0.895 346 E CA -0.419 55.896 56.400 -0.142 0.000 0.767 346 E CB 2.306 31.893 29.700 -0.188 0.000 1.248 346 E HN 0.724 nan 8.360 nan 0.000 0.440 347 W N 0.078 121.325 121.300 -0.088 0.000 3.248 347 W HA 0.425 5.085 4.660 -0.000 0.000 0.311 347 W C -1.263 175.202 176.519 -0.089 0.000 1.258 347 W CA -0.774 56.541 57.345 -0.050 0.000 1.191 347 W CB 0.385 29.886 29.460 0.068 0.000 1.389 347 W HN 0.349 nan 8.180 nan 0.000 0.561 348 H N 1.815 121.089 119.070 0.339 0.000 2.481 348 H HA 0.411 4.967 4.556 -0.000 0.000 0.339 348 H C 0.320 175.842 175.328 0.323 0.000 1.131 348 H CA -0.577 55.611 56.048 0.234 0.000 1.301 348 H CB 1.984 31.876 29.762 0.217 0.000 1.476 348 H HN 0.574 nan 8.280 nan 0.000 0.529 349 V N 1.274 121.403 119.914 0.357 0.000 2.572 349 V HA 0.229 4.348 4.120 -0.000 0.000 0.291 349 V C -2.396 173.861 176.094 0.271 0.000 1.039 349 V CA -1.553 60.916 62.300 0.281 0.000 1.055 349 V CB 0.158 32.078 31.823 0.162 0.000 0.969 349 V HN 0.517 nan 8.190 nan 0.000 0.482 350 P HA 0.294 nan 4.420 nan 0.000 0.267 350 P C 0.473 178.000 177.300 0.378 0.000 1.205 350 P CA 0.300 63.608 63.100 0.346 0.000 0.765 350 P CB 1.259 33.253 31.700 0.490 0.000 0.828 351 A N 2.629 125.610 122.820 0.268 0.000 2.072 351 A HA 0.471 4.791 4.320 -0.000 0.000 0.216 351 A C 0.907 178.516 177.584 0.041 0.000 1.156 351 A CA 1.406 53.572 52.037 0.215 0.000 0.701 351 A CB -0.253 18.799 19.000 0.085 0.000 0.816 351 A HN 0.636 nan 8.150 nan 0.000 0.458 352 A N -3.374 119.374 122.820 -0.120 0.000 2.599 352 A HA 0.680 5.000 4.320 -0.000 0.000 0.290 352 A C 0.504 177.857 177.584 -0.386 0.000 1.101 352 A CA 0.075 51.717 52.037 -0.658 0.000 0.674 352 A CB -0.054 18.720 19.000 -0.375 0.000 1.277 352 A HN 2.080 nan 8.150 nan 0.000 0.419 353 G N -0.465 108.026 108.800 -0.516 0.000 2.499 353 G HA2 0.134 4.094 3.960 -0.000 0.000 0.232 353 G HA3 0.134 4.094 3.960 -0.000 0.000 0.232 353 G C 0.400 175.058 174.900 -0.405 0.000 1.251 353 G CA 0.887 45.673 45.100 -0.523 0.000 0.917 353 G HN 2.315 nan 8.290 nan 0.000 0.580 354 M N -2.018 117.025 119.600 -0.928 0.000 2.414 354 M HA 0.652 5.132 4.480 -0.000 0.000 0.393 354 M C -0.695 174.431 176.300 -1.957 0.000 1.055 354 M CA -0.147 54.265 55.300 -1.480 0.000 0.937 354 M CB 0.700 32.707 32.600 -0.988 0.000 1.631 354 M HN 0.313 nan 8.290 nan 0.000 0.567 355 F N 1.717 121.292 119.950 -0.625 0.000 2.520 355 F HA 0.692 5.219 4.527 -0.000 0.000 0.322 355 F C -0.726 175.243 175.800 0.282 0.000 1.103 355 F CA -1.282 56.608 58.000 -0.183 0.000 0.926 355 F CB 1.770 40.681 39.000 -0.148 0.000 1.154 355 F HN -0.028 nan 8.300 nan 0.000 0.453 356 L N 3.894 125.480 121.223 0.605 0.000 2.295 356 L HA 0.409 4.749 4.340 -0.000 0.000 0.285 356 L C -1.281 175.900 176.870 0.519 0.000 1.035 356 L CA -0.607 54.547 54.840 0.522 0.000 0.806 356 L CB 1.081 43.374 42.059 0.389 0.000 1.214 356 L HN 0.757 nan 8.230 nan 0.000 0.426 357 W N 8.272 129.728 121.300 0.261 0.000 2.318 357 W HA 0.511 5.171 4.660 -0.000 0.000 0.315 357 W C -1.505 175.228 176.519 0.358 0.000 1.033 357 W CA -0.870 56.620 57.345 0.242 0.000 1.275 357 W CB 1.264 30.823 29.460 0.166 0.000 1.250 357 W HN 0.395 nan 8.180 nan 0.000 0.421 358 I N 6.082 126.726 120.570 0.123 0.000 2.362 358 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 358 I C 0.070 176.123 176.117 -0.107 0.000 0.994 358 I CA -0.673 60.703 61.300 0.127 0.000 1.158 358 I CB 1.892 39.969 38.000 0.129 0.000 1.315 358 I HN 0.237 nan 8.210 nan 0.000 0.451 359 K N 7.020 127.321 120.400 -0.165 0.000 2.267 359 K HA 0.402 4.722 4.320 -0.000 0.000 0.282 359 K C -0.491 175.945 176.600 -0.274 0.000 1.078 359 K CA -0.592 55.338 56.287 -0.595 0.000 0.903 359 K CB 1.002 33.096 32.500 -0.677 0.000 1.111 359 K HN 0.539 nan 8.250 nan 0.000 0.475 360 V N 2.137 121.896 119.914 -0.259 0.000 2.530 360 V HA 0.292 4.412 4.120 -0.000 0.000 0.282 360 V C -0.322 175.699 176.094 -0.121 0.000 1.048 360 V CA -0.636 61.595 62.300 -0.116 0.000 0.997 360 V CB 0.638 32.414 31.823 -0.078 0.000 0.987 360 V HN 0.656 nan 8.190 nan 0.000 0.477 361 K N 3.911 124.273 120.400 -0.063 0.000 2.218 361 K HA 0.551 4.871 4.320 -0.000 0.000 0.276 361 K C 1.098 177.672 176.600 -0.045 0.000 1.022 361 K CA 0.057 56.308 56.287 -0.059 0.000 0.946 361 K CB 1.070 33.549 32.500 -0.035 0.000 1.000 361 K HN 1.465 nan 8.250 nan 0.000 0.468 362 G N 1.936 110.709 108.800 -0.046 0.000 2.148 362 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 362 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 362 G C -0.030 174.850 174.900 -0.034 0.000 0.981 362 G CA -0.109 44.972 45.100 -0.032 0.000 0.670 362 G HN 0.578 nan 8.290 nan 0.000 0.528 363 I N 0.242 120.783 120.570 -0.048 0.000 2.468 363 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 363 I C 0.961 177.044 176.117 -0.055 0.000 1.038 363 I CA -0.728 60.546 61.300 -0.045 0.000 1.083 363 I CB 1.389 39.363 38.000 -0.043 0.000 1.223 363 I HN 0.086 nan 8.210 nan 0.000 0.443 364 N N 3.020 121.695 118.700 -0.041 0.000 2.270 364 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 364 N C -0.178 175.311 175.510 -0.035 0.000 1.016 364 N CA 0.728 53.754 53.050 -0.040 0.000 0.870 364 N CB 0.293 38.763 38.487 -0.028 0.000 0.979 364 N HN 0.552 nan 8.380 nan 0.000 0.431 365 D N -1.018 119.366 120.400 -0.026 0.000 2.896 365 D HA 0.162 4.801 4.640 -0.000 0.000 0.241 365 D C -0.462 175.831 176.300 -0.012 0.000 1.188 365 D CA -0.461 53.531 54.000 -0.014 0.000 0.879 365 D CB 2.193 42.990 40.800 -0.005 0.000 1.553 365 D HN -0.258 nan 8.370 nan 0.000 0.515 366 V N 4.138 124.050 119.914 -0.003 0.000 3.647 366 V HA 0.117 4.237 4.120 -0.000 0.000 0.279 366 V C 1.669 177.768 176.094 0.007 0.000 1.314 366 V CA 0.682 62.978 62.300 -0.006 0.000 1.125 366 V CB -0.432 31.384 31.823 -0.013 0.000 0.907 366 V HN 0.549 nan 8.190 nan 0.000 0.434 367 K N 0.146 120.554 120.400 0.014 0.000 2.009 367 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 367 K C 2.118 178.721 176.600 0.004 0.000 1.049 367 K CA 2.109 58.406 56.287 0.015 0.000 0.929 367 K CB -0.133 32.377 32.500 0.016 0.000 0.714 367 K HN 0.492 nan 8.250 nan 0.000 0.440 368 E N 0.694 120.893 120.200 -0.002 0.000 2.058 368 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 368 E C 2.059 178.653 176.600 -0.010 0.000 0.997 368 E CA 1.119 57.515 56.400 -0.006 0.000 0.801 368 E CB -0.051 29.644 29.700 -0.008 0.000 0.746 368 E HN 0.108 nan 8.360 nan 0.000 0.450 369 L N 1.076 122.291 121.223 -0.013 0.000 1.990 369 L HA -0.249 4.091 4.340 -0.000 0.000 0.213 369 L C 2.131 178.988 176.870 -0.023 0.000 1.072 369 L CA 1.731 56.558 54.840 -0.021 0.000 0.755 369 L CB -0.400 41.644 42.059 -0.025 0.000 0.889 369 L HN 0.195 nan 8.230 nan 0.000 0.432 370 I N -0.222 120.340 120.570 -0.014 0.000 2.296 370 I HA -0.149 4.021 4.170 -0.000 0.000 0.242 370 I C 2.444 178.556 176.117 -0.008 0.000 1.087 370 I CA 1.553 62.846 61.300 -0.013 0.000 1.393 370 I CB -1.507 36.495 38.000 0.002 0.000 1.093 370 I HN 0.519 nan 8.210 nan 0.000 0.421 371 E N 0.838 121.037 120.200 -0.001 0.000 2.435 371 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 371 E C 1.355 177.952 176.600 -0.005 0.000 1.029 371 E CA 0.637 57.036 56.400 -0.000 0.000 0.865 371 E CB 0.071 29.774 29.700 0.004 0.000 0.833 371 E HN 0.552 nan 8.360 nan 0.000 0.510 372 E N 1.231 121.425 120.200 -0.009 0.000 2.182 372 E HA 0.071 4.421 4.350 -0.000 0.000 0.195 372 E C 1.890 178.481 176.600 -0.015 0.000 0.933 372 E CA -0.008 56.386 56.400 -0.010 0.000 0.940 372 E CB 0.039 29.734 29.700 -0.010 0.000 0.945 372 E HN 0.081 nan 8.360 nan 0.000 0.477 373 K N 1.408 121.797 120.400 -0.019 0.000 2.007 373 K HA 0.044 4.364 4.320 -0.000 0.000 0.206 373 K C 2.290 178.871 176.600 -0.032 0.000 1.047 373 K CA 1.069 57.341 56.287 -0.024 0.000 0.937 373 K CB -0.153 32.332 32.500 -0.026 0.000 0.718 373 K HN 0.014 nan 8.250 nan 0.000 0.438 374 A N 1.654 124.452 122.820 -0.037 0.000 1.902 374 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 374 A C 2.450 180.010 177.584 -0.039 0.000 1.181 374 A CA 1.889 53.897 52.037 -0.048 0.000 0.623 374 A CB -1.010 17.955 19.000 -0.059 0.000 0.818 374 A HN 0.218 nan 8.150 nan 0.000 0.443 375 V N -2.033 117.865 119.914 -0.027 0.000 2.392 375 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 375 V C 2.064 178.146 176.094 -0.020 0.000 1.059 375 V CA 2.612 64.901 62.300 -0.019 0.000 1.051 375 V CB -0.889 30.928 31.823 -0.010 0.000 0.658 375 V HN 0.351 nan 8.190 nan 0.000 0.455 376 K N -0.286 120.102 120.400 -0.021 0.000 2.362 376 K HA 0.185 4.505 4.320 -0.000 0.000 0.200 376 K C 1.783 178.368 176.600 -0.025 0.000 1.046 376 K CA 0.985 57.260 56.287 -0.020 0.000 0.952 376 K CB -0.224 32.265 32.500 -0.018 0.000 0.753 376 K HN 0.440 nan 8.250 nan 0.000 0.466 377 M N -0.816 118.764 119.600 -0.033 0.000 2.431 377 M HA 0.239 4.719 4.480 -0.000 0.000 0.237 377 M C 0.632 176.907 176.300 -0.043 0.000 1.130 377 M CA 0.464 55.738 55.300 -0.042 0.000 1.002 377 M CB -0.133 32.433 32.600 -0.057 0.000 1.524 377 M HN 0.264 nan 8.290 nan 0.000 0.482 378 G N 2.050 110.831 108.800 -0.033 0.000 2.221 378 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.265 378 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.265 378 G C 0.026 174.906 174.900 -0.034 0.000 1.041 378 G CA 0.437 45.520 45.100 -0.027 0.000 0.807 378 G HN 0.569 nan 8.290 nan 0.000 0.502 379 V N -2.510 117.377 119.914 -0.046 0.000 2.588 379 V HA 0.869 4.989 4.120 -0.000 0.000 0.304 379 V C 0.039 176.104 176.094 -0.049 0.000 1.042 379 V CA -1.517 60.748 62.300 -0.059 0.000 0.877 379 V CB 2.109 33.871 31.823 -0.101 0.000 0.996 379 V HN 0.361 nan 8.190 nan 0.000 0.425 380 L N 5.669 126.873 121.223 -0.032 0.000 2.341 380 L HA 0.744 5.084 4.340 -0.000 0.000 0.278 380 L C -0.186 176.677 176.870 -0.011 0.000 1.005 380 L CA -0.512 54.321 54.840 -0.012 0.000 0.818 380 L CB 1.966 44.035 42.059 0.016 0.000 1.259 380 L HN 0.614 nan 8.230 nan 0.000 0.418 381 M N 3.132 122.728 119.600 -0.008 0.000 2.727 381 M HA 0.518 4.998 4.480 -0.000 0.000 0.300 381 M C -1.263 175.081 176.300 0.072 0.000 1.246 381 M CA -0.952 54.363 55.300 0.026 0.000 0.835 381 M CB 2.913 35.498 32.600 -0.025 0.000 1.755 381 M HN 0.307 nan 8.290 nan 0.000 0.473 382 L N 2.590 123.893 121.223 0.134 0.000 2.282 382 L HA 0.548 4.888 4.340 -0.000 0.000 0.288 382 L C -2.512 174.496 176.870 0.229 0.000 1.033 382 L CA -1.399 53.548 54.840 0.178 0.000 0.807 382 L CB 1.269 43.472 42.059 0.239 0.000 1.209 382 L HN 0.264 nan 8.230 nan 0.000 0.423 383 P HA 0.175 nan 4.420 nan 0.000 0.269 383 P C 0.436 177.944 177.300 0.347 0.000 1.209 383 P CA -0.084 63.133 63.100 0.195 0.000 0.776 383 P CB 0.772 32.542 31.700 0.118 0.000 0.876 384 G N 2.148 111.197 108.800 0.416 0.000 2.598 384 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 384 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 384 G C 0.884 176.236 174.900 0.753 0.000 1.131 384 G CA 0.262 45.825 45.100 0.771 0.000 0.785 384 G HN 0.642 nan 8.290 nan 0.000 0.539 385 N N 0.765 119.713 118.700 0.414 0.000 2.457 385 N HA 0.198 4.938 4.740 -0.000 0.000 0.180 385 N C 1.996 177.629 175.510 0.205 0.000 1.050 385 N CA 0.843 54.113 53.050 0.367 0.000 0.906 385 N CB -0.137 38.453 38.487 0.172 0.000 0.968 385 N HN 0.150 nan 8.380 nan 0.000 0.445 386 A N 0.159 122.936 122.820 -0.071 0.000 2.125 386 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 386 A C 0.791 178.028 177.584 -0.580 0.000 1.156 386 A CA 0.623 52.403 52.037 -0.428 0.000 0.671 386 A CB -0.771 17.792 19.000 -0.728 0.000 0.794 386 A HN 0.381 nan 8.150 nan 0.000 0.459 387 F N -2.047 117.898 119.950 -0.009 0.000 2.645 387 F HA 0.332 4.859 4.527 -0.000 0.000 0.300 387 F C -0.217 175.324 175.800 -0.432 0.000 1.115 387 F CA -0.348 57.505 58.000 -0.246 0.000 1.355 387 F CB -0.324 38.447 39.000 -0.381 0.000 1.026 387 F HN 0.105 nan 8.300 nan 0.000 0.536 388 Y N -1.941 118.411 120.300 0.087 0.000 2.485 388 Y HA 0.375 4.925 4.550 -0.000 0.000 0.345 388 Y C 1.015 176.912 175.900 -0.005 0.000 0.998 388 Y CA -1.177 56.960 58.100 0.062 0.000 1.059 388 Y CB 1.415 39.929 38.460 0.091 0.000 1.234 388 Y HN -0.296 nan 8.280 nan 0.000 0.461 389 V N -0.055 119.944 119.914 0.142 0.000 2.332 389 V HA -0.225 3.894 4.120 -0.000 0.000 0.248 389 V C 0.544 176.655 176.094 0.029 0.000 1.055 389 V CA 1.957 64.283 62.300 0.043 0.000 1.038 389 V CB -0.268 31.577 31.823 0.036 0.000 0.651 389 V HN 0.722 nan 8.190 nan 0.000 0.450 390 D N -0.114 120.330 120.400 0.073 0.000 2.468 390 D HA 0.135 4.774 4.640 -0.000 0.000 0.218 390 D C 1.344 177.676 176.300 0.053 0.000 1.155 390 D CA 0.518 54.538 54.000 0.034 0.000 0.924 390 D CB 0.992 41.806 40.800 0.023 0.000 1.029 390 D HN 0.350 nan 8.370 nan 0.000 0.515 391 S N 1.073 116.788 115.700 0.025 0.000 2.481 391 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 391 S C 1.758 176.366 174.600 0.014 0.000 0.996 391 S CA 0.246 58.467 58.200 0.034 0.000 0.942 391 S CB 0.089 63.276 63.200 -0.022 0.000 0.768 391 S HN 0.232 nan 8.310 nan 0.000 0.520 392 S N 1.948 117.645 115.700 -0.006 0.000 2.428 392 S HA 0.337 4.807 4.470 -0.000 0.000 0.230 392 S C 1.183 175.775 174.600 -0.012 0.000 1.014 392 S CA 0.507 58.700 58.200 -0.011 0.000 0.957 392 S CB -0.529 62.661 63.200 -0.016 0.000 0.784 392 S HN 0.834 nan 8.310 nan 0.000 0.499 393 A N 3.257 126.065 122.820 -0.021 0.000 2.483 393 A HA 0.372 4.692 4.320 -0.000 0.000 0.238 393 A C -2.081 175.477 177.584 -0.044 0.000 1.070 393 A CA -1.060 50.950 52.037 -0.044 0.000 0.770 393 A CB -0.269 18.683 19.000 -0.080 0.000 1.008 393 A HN 0.177 nan 8.150 nan 0.000 0.497 394 P HA 0.232 nan 4.420 nan 0.000 0.274 394 P C -0.515 176.766 177.300 -0.032 0.000 1.231 394 P CA -0.078 63.008 63.100 -0.024 0.000 0.790 394 P CB 1.279 32.965 31.700 -0.023 0.000 0.951 395 S N 1.911 117.621 115.700 0.017 0.000 2.614 395 S HA 0.466 4.936 4.470 -0.000 0.000 0.288 395 S C -2.153 172.477 174.600 0.049 0.000 1.137 395 S CA -1.747 56.499 58.200 0.077 0.000 0.992 395 S CB 1.506 64.832 63.200 0.210 0.000 1.026 395 S HN 0.275 nan 8.310 nan 0.000 0.486 396 P HA 0.138 nan 4.420 nan 0.000 0.249 396 P C -0.588 176.537 177.300 -0.292 0.000 1.229 396 P CA 0.098 63.093 63.100 -0.176 0.000 0.788 396 P CB -0.147 31.385 31.700 -0.280 0.000 1.072 397 Y N 0.068 120.256 120.300 -0.186 0.000 2.387 397 Y HA 0.451 5.001 4.550 -0.000 0.000 0.330 397 Y C 0.853 176.548 175.900 -0.341 0.000 1.133 397 Y CA -0.637 57.174 58.100 -0.481 0.000 1.152 397 Y CB 1.330 39.164 38.460 -1.043 0.000 1.215 397 Y HN -0.272 nan 8.280 nan 0.000 0.466 398 L N 3.226 124.341 121.223 -0.181 0.000 2.365 398 L HA 0.566 4.906 4.340 -0.000 0.000 0.273 398 L C -0.427 176.527 176.870 0.141 0.000 1.000 398 L CA -0.941 53.910 54.840 0.018 0.000 0.819 398 L CB 2.141 44.206 42.059 0.010 0.000 1.284 398 L HN 0.503 nan 8.230 nan 0.000 0.418 399 R N 2.173 122.870 120.500 0.327 0.000 2.265 399 R HA 0.731 5.071 4.340 -0.000 0.000 0.319 399 R C -0.913 175.554 176.300 0.279 0.000 1.006 399 R CA -0.346 55.981 56.100 0.377 0.000 0.880 399 R CB 1.467 31.913 30.300 0.243 0.000 1.077 399 R HN 0.734 nan 8.270 nan 0.000 0.454 400 A N 3.094 126.109 122.820 0.326 0.000 2.304 400 A HA 0.306 4.626 4.320 -0.000 0.000 0.314 400 A C -0.586 177.241 177.584 0.405 0.000 1.187 400 A CA -0.530 51.692 52.037 0.307 0.000 0.810 400 A CB 1.687 20.854 19.000 0.278 0.000 1.183 400 A HN 0.657 nan 8.150 nan 0.000 0.487 401 S N 1.586 117.504 115.700 0.363 0.000 2.545 401 S HA 0.487 4.957 4.470 -0.000 0.000 0.275 401 S C 0.252 174.964 174.600 0.186 0.000 1.299 401 S CA -0.432 57.908 58.200 0.233 0.000 1.048 401 S CB -0.152 63.184 63.200 0.227 0.000 0.938 401 S HN 1.047 nan 8.310 nan 0.000 0.496 402 F N 2.955 122.963 119.950 0.098 0.000 2.641 402 F HA 0.313 4.840 4.527 -0.000 0.000 0.302 402 F C 1.736 177.561 175.800 0.042 0.000 1.098 402 F CA -0.144 57.891 58.000 0.058 0.000 1.318 402 F CB -0.870 38.138 39.000 0.014 0.000 1.035 402 F HN 0.560 nan 8.300 nan 0.000 0.551 403 S N -0.461 115.261 115.700 0.036 0.000 2.402 403 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 403 S C 1.537 176.215 174.600 0.130 0.000 1.021 403 S CA 1.421 59.703 58.200 0.135 0.000 0.974 403 S CB -0.566 62.758 63.200 0.207 0.000 0.800 403 S HN 0.360 nan 8.310 nan 0.000 0.484 404 S N 0.436 116.217 115.700 0.136 0.000 2.663 404 S HA 0.590 5.060 4.470 -0.000 0.000 0.247 404 S C 0.645 175.319 174.600 0.123 0.000 1.074 404 S CA 0.007 58.293 58.200 0.143 0.000 0.955 404 S CB 0.328 63.599 63.200 0.119 0.000 0.901 404 S HN 0.755 nan 8.310 nan 0.000 0.505 405 A N 2.917 125.806 122.820 0.114 0.000 2.462 405 A HA 0.572 4.891 4.320 -0.000 0.000 0.243 405 A C 0.731 178.362 177.584 0.077 0.000 1.076 405 A CA -0.279 51.816 52.037 0.097 0.000 0.773 405 A CB 0.053 19.120 19.000 0.112 0.000 1.010 405 A HN 0.473 nan 8.150 nan 0.000 0.493 406 S N 2.306 118.045 115.700 0.066 0.000 2.589 406 S HA 0.266 4.736 4.470 -0.000 0.000 0.265 406 S C -1.886 172.739 174.600 0.041 0.000 1.342 406 S CA -0.561 57.668 58.200 0.048 0.000 1.005 406 S CB 0.237 63.464 63.200 0.045 0.000 0.909 406 S HN 0.456 nan 8.310 nan 0.000 0.555 407 P HA -0.171 nan 4.420 nan 0.000 0.216 407 P C 1.546 178.876 177.300 0.050 0.000 1.150 407 P CA 1.420 64.531 63.100 0.018 0.000 0.843 407 P CB -0.049 31.649 31.700 -0.003 0.000 0.787 408 E N 0.278 120.507 120.200 0.048 0.000 2.077 408 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 408 E C 1.976 178.614 176.600 0.064 0.000 0.989 408 E CA 1.314 57.748 56.400 0.057 0.000 0.800 408 E CB -1.215 28.511 29.700 0.043 0.000 0.746 408 E HN 0.399 nan 8.360 nan 0.000 0.452 409 Q N 0.143 119.979 119.800 0.060 0.000 2.124 409 Q HA -0.027 4.312 4.340 -0.000 0.000 0.202 409 Q C 2.376 178.432 176.000 0.093 0.000 0.977 409 Q CA 1.615 57.455 55.803 0.061 0.000 0.850 409 Q CB -0.205 28.569 28.738 0.060 0.000 0.901 409 Q HN 0.315 nan 8.270 nan 0.000 0.429 410 M N 0.004 119.683 119.600 0.131 0.000 2.132 410 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 410 M C 1.671 178.146 176.300 0.291 0.000 1.065 410 M CA 1.404 56.847 55.300 0.238 0.000 1.122 410 M CB -0.204 32.503 32.600 0.178 0.000 1.365 410 M HN 0.145 nan 8.290 nan 0.000 0.411 411 D N 0.223 120.742 120.400 0.200 0.000 2.092 411 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 411 D C 1.770 178.133 176.300 0.106 0.000 0.994 411 D CA 1.363 55.520 54.000 0.261 0.000 0.828 411 D CB 0.115 41.059 40.800 0.241 0.000 0.963 411 D HN 0.060 nan 8.370 nan 0.000 0.450 412 V N 0.632 120.563 119.914 0.029 0.000 2.343 412 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 412 V C 2.529 178.537 176.094 -0.143 0.000 1.051 412 V CA 1.767 64.014 62.300 -0.089 0.000 1.036 412 V CB -0.906 30.888 31.823 -0.048 0.000 0.654 412 V HN 0.361 nan 8.190 nan 0.000 0.451 413 A N -0.719 122.062 122.820 -0.065 0.000 1.902 413 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 413 A C 2.019 179.433 177.584 -0.284 0.000 1.181 413 A CA 1.733 53.678 52.037 -0.154 0.000 0.623 413 A CB -0.642 18.281 19.000 -0.128 0.000 0.818 413 A HN 0.482 nan 8.150 nan 0.000 0.443 414 F N -0.339 119.515 119.950 -0.159 0.000 2.293 414 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 414 F C 2.614 178.149 175.800 -0.443 0.000 1.089 414 F CA 1.409 59.317 58.000 -0.153 0.000 1.377 414 F CB -0.087 38.947 39.000 0.058 0.000 1.051 414 F HN 0.274 nan 8.300 nan 0.000 0.511 415 Q N 0.785 120.082 119.800 -0.838 0.000 2.061 415 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 415 Q C 2.301 177.952 176.000 -0.581 0.000 0.984 415 Q CA 2.057 57.045 55.803 -1.358 0.000 0.846 415 Q CB -0.557 27.289 28.738 -1.488 0.000 0.902 415 Q HN 0.303 nan 8.270 nan 0.000 0.421 416 V N 1.728 121.407 119.914 -0.391 0.000 2.358 416 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 416 V C 2.606 178.589 176.094 -0.185 0.000 1.047 416 V CA 1.480 63.636 62.300 -0.240 0.000 1.035 416 V CB -0.668 31.041 31.823 -0.189 0.000 0.658 416 V HN 0.396 nan 8.190 nan 0.000 0.452 417 L N 0.133 121.233 121.223 -0.205 0.000 1.989 417 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 417 L C 2.674 179.497 176.870 -0.078 0.000 1.071 417 L CA 2.207 56.953 54.840 -0.157 0.000 0.749 417 L CB -0.753 41.164 42.059 -0.237 0.000 0.890 417 L HN 0.385 nan 8.230 nan 0.000 0.431 418 A N -0.651 122.147 122.820 -0.038 0.000 1.927 418 A HA -0.341 3.979 4.320 -0.000 0.000 0.220 418 A C 2.096 179.694 177.584 0.024 0.000 1.185 418 A CA 2.226 54.300 52.037 0.062 0.000 0.639 418 A CB -0.675 18.436 19.000 0.184 0.000 0.820 418 A HN 0.558 nan 8.150 nan 0.000 0.451 419 Q N -0.268 119.511 119.800 -0.036 0.000 2.083 419 Q HA 0.017 4.357 4.340 -0.000 0.000 0.198 419 Q C 1.888 177.874 176.000 -0.024 0.000 0.969 419 Q CA 1.507 57.294 55.803 -0.027 0.000 0.838 419 Q CB -0.483 28.219 28.738 -0.061 0.000 0.900 419 Q HN 0.679 nan 8.270 nan 0.000 0.436 420 L N -0.509 120.689 121.223 -0.042 0.000 2.056 420 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 420 L C 2.286 179.143 176.870 -0.022 0.000 1.078 420 L CA 0.858 55.677 54.840 -0.036 0.000 0.749 420 L CB -0.456 41.574 42.059 -0.050 0.000 0.901 420 L HN 0.225 nan 8.230 nan 0.000 0.433 421 I N 0.013 120.573 120.570 -0.015 0.000 2.118 421 I HA -0.351 3.819 4.170 -0.000 0.000 0.241 421 I C 2.562 178.682 176.117 0.006 0.000 1.070 421 I CA 1.609 62.907 61.300 -0.002 0.000 1.327 421 I CB -0.301 37.707 38.000 0.014 0.000 1.034 421 I HN 0.209 nan 8.210 nan 0.000 0.405 422 K N 0.517 120.926 120.400 0.016 0.000 2.097 422 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 422 K C 1.791 178.396 176.600 0.008 0.000 1.049 422 K CA 1.335 57.633 56.287 0.019 0.000 0.933 422 K CB -0.181 32.338 32.500 0.032 0.000 0.717 422 K HN 0.399 nan 8.250 nan 0.000 0.442 423 E N 0.121 120.322 120.200 0.000 0.000 2.478 423 E HA -0.042 4.308 4.350 -0.000 0.000 0.198 423 E C 0.907 177.503 176.600 -0.006 0.000 1.046 423 E CA 0.481 56.878 56.400 -0.004 0.000 0.870 423 E CB 0.271 29.965 29.700 -0.010 0.000 0.818 423 E HN 0.127 nan 8.360 nan 0.000 0.527 424 S N -0.130 115.566 115.700 -0.007 0.000 2.578 424 S HA 0.179 4.648 4.470 -0.000 0.000 0.228 424 S C 0.686 175.281 174.600 -0.008 0.000 1.022 424 S CA -0.327 57.868 58.200 -0.009 0.000 0.967 424 S CB 0.678 63.869 63.200 -0.014 0.000 0.914 424 S HN 0.067 nan 8.310 nan 0.000 0.515 425 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 54.837 54.840 -0.005 0.000 0.813 425 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502