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 2f5z_1_E DATA FIRST_RESID 3 DATA SEQUENCE QPIDADVTVI GSGPGGYVAA IKAAQLGFKT VCIEKNETLG GTcLNVGcIP DATA SEQUENCE SKALLNNSHY YHMAHGTDFA SRGIEMSEVR LNLDKMMEQK STAVKALTGG DATA SEQUENCE IAHLFKQNKV VHVNGYGKIT GKNQVTATKA DGGTQVIDTK NILIATGSEV DATA SEQUENCE TPFPGITIDE DTIVSSTGAL SLKKVPEKMV VIGAGVIGVE LGSVWQRLGA DATA SEQUENCE DVTAVEFLGH VGGVGIDMEI SKNFQRILQK QGFKFKLNTK VTGATKKSDG DATA SEQUENCE KIDVSIEAAS GGKAEVITCD VLLVCIGRRP FTKNLGLEEL GIELDPRGRI DATA SEQUENCE PVNTRFQTKI PNIYAIGDVV AGPMLAHKAE DEGIICVEGM AGGAVHIDYN DATA SEQUENCE CVPSVIYTHP EVAWVGKSEE QLKEEGIEYK VGKFPFAANS RAKTNADTDG DATA SEQUENCE MVKILGQKST DRVLGAHILG PGAGEMVNEA ALALEYGASC EDIARVCHAH DATA SEQUENCE PTLSEAFREA NLAASFGKSI NF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.002 176.000 0.004 0.000 1.003 3 Q CA 0.000 55.805 55.803 0.004 0.000 1.022 3 Q CB 0.000 28.739 28.738 0.003 0.000 1.108 4 P HA 0.619 nan 4.420 nan 0.000 0.276 4 P C -0.566 176.737 177.300 0.005 0.000 1.244 4 P CA -0.517 62.586 63.100 0.006 0.000 0.801 4 P CB 1.296 33.000 31.700 0.007 0.000 1.006 5 I N 1.193 121.766 120.570 0.005 0.000 2.846 5 I HA 0.384 4.554 4.170 -0.000 0.000 0.307 5 I C -0.976 175.144 176.117 0.005 0.000 1.053 5 I CA -0.995 60.307 61.300 0.004 0.000 1.050 5 I CB 1.897 39.898 38.000 0.002 0.000 1.239 5 I HN 0.445 nan 8.210 nan 0.000 0.439 6 D N 5.859 126.263 120.400 0.005 0.000 2.342 6 D HA 0.726 5.366 4.640 -0.000 0.000 0.243 6 D C -1.373 174.930 176.300 0.006 0.000 1.019 6 D CA -0.510 53.494 54.000 0.007 0.000 0.864 6 D CB 2.186 42.992 40.800 0.010 0.000 1.315 6 D HN 0.727 nan 8.370 nan 0.000 0.468 7 A N 1.355 124.177 122.820 0.004 0.000 2.594 7 A HA 0.443 4.763 4.320 -0.000 0.000 0.291 7 A C -0.248 177.339 177.584 0.004 0.000 1.105 7 A CA -0.653 51.386 52.037 0.002 0.000 0.694 7 A CB 1.850 20.840 19.000 -0.016 0.000 1.291 7 A HN 0.471 nan 8.150 nan 0.000 0.410 8 D N -0.612 119.796 120.400 0.014 0.000 2.277 8 D HA 0.204 4.844 4.640 -0.000 0.000 0.209 8 D C -0.014 176.212 176.300 -0.123 0.000 0.970 8 D CA 1.416 55.425 54.000 0.014 0.000 0.874 8 D CB 0.644 41.549 40.800 0.175 0.000 0.982 8 D HN 0.205 nan 8.370 nan 0.000 0.504 9 V N 0.664 120.491 119.914 -0.146 0.000 2.668 9 V HA 0.290 4.410 4.120 -0.000 0.000 0.304 9 V C -0.551 175.466 176.094 -0.129 0.000 1.071 9 V CA -0.619 61.549 62.300 -0.219 0.000 0.894 9 V CB 2.305 33.891 31.823 -0.395 0.000 1.008 9 V HN -0.175 nan 8.190 nan 0.000 0.425 10 T N 4.273 118.770 114.554 -0.096 0.000 2.791 10 T HA 0.544 4.894 4.350 -0.000 0.000 0.288 10 T C -0.334 174.335 174.700 -0.051 0.000 0.999 10 T CA -0.365 61.700 62.100 -0.059 0.000 0.952 10 T CB 1.449 70.301 68.868 -0.027 0.000 0.938 10 T HN 0.349 nan 8.240 nan 0.000 0.444 11 V N 5.243 125.126 119.914 -0.053 0.000 2.439 11 V HA 0.468 4.588 4.120 -0.000 0.000 0.282 11 V C 0.078 176.174 176.094 0.003 0.000 1.039 11 V CA -0.801 61.480 62.300 -0.032 0.000 0.913 11 V CB 1.251 33.048 31.823 -0.043 0.000 0.983 11 V HN 0.802 nan 8.190 nan 0.000 0.460 12 I N 4.609 125.187 120.570 0.013 0.000 2.330 12 I HA 0.731 4.901 4.170 -0.000 0.000 0.286 12 I C 0.619 176.753 176.117 0.027 0.000 1.025 12 I CA -0.007 61.306 61.300 0.021 0.000 1.197 12 I CB 1.104 39.114 38.000 0.016 0.000 1.358 12 I HN 0.891 nan 8.210 nan 0.000 0.467 13 G N 3.652 112.476 108.800 0.040 0.000 2.841 13 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.684 13 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.684 13 G C -0.210 174.744 174.900 0.091 0.000 1.273 13 G CA -0.295 44.833 45.100 0.048 0.000 0.811 13 G HN 0.665 nan 8.290 nan 0.000 0.631 14 S N 0.675 116.433 115.700 0.098 0.000 2.711 14 S HA 0.631 5.101 4.470 -0.000 0.000 0.247 14 S C 1.130 175.826 174.600 0.160 0.000 1.079 14 S CA 0.689 58.985 58.200 0.159 0.000 1.050 14 S CB 0.597 63.854 63.200 0.096 0.000 0.885 14 S HN 1.882 nan 8.310 nan 0.000 0.498 15 G N 2.210 111.086 108.800 0.126 0.000 2.535 15 G HA2 0.480 4.440 3.960 -0.000 0.000 0.282 15 G HA3 0.480 4.440 3.960 -0.000 0.000 0.282 15 G C -1.675 173.338 174.900 0.189 0.000 1.350 15 G CA -1.779 43.399 45.100 0.129 0.000 1.039 15 G HN 0.156 nan 8.290 nan 0.000 0.509 16 P HA -0.180 nan 4.420 nan 0.000 0.217 16 P C 1.995 179.185 177.300 -0.184 0.000 1.158 16 P CA 2.188 65.274 63.100 -0.022 0.000 0.887 16 P CB -0.006 31.695 31.700 0.001 0.000 0.792 17 G N -0.880 107.863 108.800 -0.095 0.000 2.414 17 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 17 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 17 G C 1.815 176.648 174.900 -0.112 0.000 1.188 17 G CA 0.963 45.989 45.100 -0.122 0.000 0.783 17 G HN 0.381 nan 8.290 nan 0.000 0.537 18 G N 0.276 109.060 108.800 -0.028 0.000 2.404 18 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 18 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 18 G C 1.729 176.693 174.900 0.106 0.000 1.174 18 G CA 1.376 46.492 45.100 0.026 0.000 0.780 18 G HN 0.598 nan 8.290 nan 0.000 0.537 19 Y N 1.031 121.397 120.300 0.110 0.000 2.242 19 Y HA 0.033 4.583 4.550 -0.000 0.000 0.291 19 Y C 2.388 178.410 175.900 0.204 0.000 1.137 19 Y CA 1.136 59.385 58.100 0.249 0.000 1.181 19 Y CB -0.729 37.757 38.460 0.044 0.000 0.989 19 Y HN 0.011 nan 8.280 nan 0.000 0.527 20 V N 1.367 120.937 119.914 -0.574 0.000 2.358 20 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 20 V C 2.888 178.890 176.094 -0.152 0.000 1.047 20 V CA 1.751 63.788 62.300 -0.437 0.000 1.035 20 V CB -1.472 30.035 31.823 -0.527 0.000 0.658 20 V HN 0.633 nan 8.190 nan 0.000 0.452 21 A N 0.084 122.822 122.820 -0.136 0.000 1.902 21 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 21 A C 2.433 179.978 177.584 -0.065 0.000 1.181 21 A CA 2.123 54.097 52.037 -0.106 0.000 0.623 21 A CB -0.781 18.144 19.000 -0.125 0.000 0.818 21 A HN 0.558 nan 8.150 nan 0.000 0.443 22 A N -0.004 122.796 122.820 -0.034 0.000 1.877 22 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 22 A C 2.146 179.704 177.584 -0.044 0.000 1.186 22 A CA 1.597 53.587 52.037 -0.079 0.000 0.620 22 A CB -0.643 18.252 19.000 -0.175 0.000 0.822 22 A HN 0.496 nan 8.150 nan 0.000 0.443 23 I N -0.833 119.778 120.570 0.069 0.000 2.179 23 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 23 I C 2.559 178.702 176.117 0.045 0.000 1.088 23 I CA 1.916 63.274 61.300 0.097 0.000 1.357 23 I CB -0.197 37.922 38.000 0.199 0.000 1.051 23 I HN 0.255 nan 8.210 nan 0.000 0.409 24 K N 1.415 121.829 120.400 0.023 0.000 2.057 24 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 24 K C 2.030 178.663 176.600 0.055 0.000 1.049 24 K CA 1.644 57.942 56.287 0.019 0.000 0.931 24 K CB -0.390 32.105 32.500 -0.008 0.000 0.714 24 K HN 0.297 nan 8.250 nan 0.000 0.440 25 A N 0.509 123.368 122.820 0.065 0.000 1.877 25 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 25 A C 2.384 180.091 177.584 0.204 0.000 1.186 25 A CA 2.136 54.290 52.037 0.196 0.000 0.620 25 A CB -1.154 17.876 19.000 0.050 0.000 0.822 25 A HN 0.413 nan 8.150 nan 0.000 0.443 26 A N -0.718 122.150 122.820 0.080 0.000 1.902 26 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 26 A C 2.113 179.711 177.584 0.023 0.000 1.181 26 A CA 1.698 53.762 52.037 0.045 0.000 0.623 26 A CB -0.606 18.391 19.000 -0.005 0.000 0.818 26 A HN 0.670 nan 8.150 nan 0.000 0.443 27 Q N -0.545 119.267 119.800 0.021 0.000 2.167 27 Q HA -0.003 4.337 4.340 -0.000 0.000 0.202 27 Q C 1.678 177.660 176.000 -0.030 0.000 0.970 27 Q CA 1.048 56.851 55.803 0.000 0.000 0.855 27 Q CB -0.273 28.470 28.738 0.009 0.000 0.911 27 Q HN 0.658 nan 8.270 nan 0.000 0.438 28 L N -0.647 120.558 121.223 -0.031 0.000 2.610 28 L HA 0.044 4.384 4.340 -0.000 0.000 0.232 28 L C 1.083 177.794 176.870 -0.265 0.000 1.149 28 L CA 0.554 55.322 54.840 -0.120 0.000 0.872 28 L CB -0.117 41.894 42.059 -0.080 0.000 0.992 28 L HN 0.460 nan 8.230 nan 0.000 0.447 29 G N -0.977 107.717 108.800 -0.177 0.000 2.159 29 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.227 29 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.227 29 G C -0.012 174.774 174.900 -0.189 0.000 0.986 29 G CA -0.656 44.325 45.100 -0.199 0.000 0.651 29 G HN 0.110 nan 8.290 nan 0.000 0.523 30 F N 1.375 121.302 119.950 -0.038 0.000 2.410 30 F HA 0.483 5.010 4.527 -0.000 0.000 0.348 30 F C 0.982 176.754 175.800 -0.047 0.000 1.106 30 F CA -0.816 57.158 58.000 -0.042 0.000 1.163 30 F CB 1.326 40.294 39.000 -0.054 0.000 1.129 30 F HN -0.006 nan 8.300 nan 0.000 0.516 31 K N 2.858 123.362 120.400 0.173 0.000 2.382 31 K HA 0.171 4.491 4.320 -0.000 0.000 0.286 31 K C -0.716 175.911 176.600 0.046 0.000 1.062 31 K CA 0.199 56.528 56.287 0.071 0.000 1.000 31 K CB 0.056 32.586 32.500 0.050 0.000 0.954 31 K HN 0.678 nan 8.250 nan 0.000 0.470 32 T N 3.023 117.578 114.554 0.001 0.000 2.829 32 T HA 0.379 4.729 4.350 -0.000 0.000 0.280 32 T C -0.895 173.742 174.700 -0.104 0.000 0.999 32 T CA -0.692 61.373 62.100 -0.058 0.000 0.983 32 T CB 1.704 70.529 68.868 -0.072 0.000 0.968 32 T HN 0.251 nan 8.240 nan 0.000 0.446 33 V N 1.909 121.760 119.914 -0.104 0.000 2.604 33 V HA 0.586 4.706 4.120 -0.000 0.000 0.305 33 V C -0.459 175.571 176.094 -0.106 0.000 1.043 33 V CA -0.821 61.422 62.300 -0.095 0.000 0.888 33 V CB 1.907 33.705 31.823 -0.042 0.000 0.995 33 V HN 1.092 nan 8.190 nan 0.000 0.429 34 C N 6.699 125.937 119.300 -0.103 0.000 2.396 34 C HA 0.724 5.184 4.460 -0.000 0.000 0.321 34 C C -0.461 174.598 174.990 0.114 0.000 1.233 34 C CA -0.488 58.509 59.018 -0.035 0.000 1.440 34 C CB -0.214 27.442 27.740 -0.140 0.000 2.110 34 C HN 0.811 nan 8.230 nan 0.000 0.473 35 I N 4.704 125.336 120.570 0.102 0.000 2.377 35 I HA 0.523 4.693 4.170 -0.000 0.000 0.293 35 I C -0.441 175.750 176.117 0.123 0.000 0.987 35 I CA 0.085 61.457 61.300 0.120 0.000 1.185 35 I CB 1.637 39.673 38.000 0.060 0.000 1.341 35 I HN 0.620 nan 8.210 nan 0.000 0.455 36 E N 5.530 125.828 120.200 0.163 0.000 2.275 36 E HA 0.274 4.624 4.350 -0.000 0.000 0.270 36 E C -0.057 176.593 176.600 0.084 0.000 0.882 36 E CA -0.799 55.672 56.400 0.118 0.000 0.758 36 E CB 1.559 31.359 29.700 0.165 0.000 1.195 36 E HN 0.561 nan 8.360 nan 0.000 0.419 37 K N 2.427 122.834 120.400 0.012 0.000 2.186 37 K HA 0.155 4.475 4.320 -0.000 0.000 0.202 37 K C 0.128 176.756 176.600 0.046 0.000 1.052 37 K CA 0.169 56.470 56.287 0.022 0.000 0.965 37 K CB -0.040 32.429 32.500 -0.052 0.000 0.746 37 K HN 0.218 nan 8.250 nan 0.000 0.457 38 N N 1.981 120.697 118.700 0.027 0.000 2.381 38 N HA 0.018 4.758 4.740 -0.000 0.000 0.254 38 N C 0.464 176.000 175.510 0.043 0.000 1.264 38 N CA -0.183 52.881 53.050 0.023 0.000 0.942 38 N CB 0.729 39.213 38.487 -0.006 0.000 1.190 38 N HN 0.183 nan 8.380 nan 0.000 0.495 39 E N -0.806 119.412 120.200 0.029 0.000 2.274 39 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 39 E C 0.144 176.767 176.600 0.037 0.000 0.996 39 E CA 0.801 57.222 56.400 0.035 0.000 0.840 39 E CB 0.062 29.773 29.700 0.019 0.000 0.772 39 E HN 0.713 nan 8.360 nan 0.000 0.491 40 T N -1.953 112.608 114.554 0.011 0.000 2.916 40 T HA 0.578 4.928 4.350 -0.000 0.000 0.292 40 T C -0.070 174.596 174.700 -0.056 0.000 1.064 40 T CA -0.962 61.124 62.100 -0.023 0.000 1.011 40 T CB 1.550 70.388 68.868 -0.051 0.000 1.152 40 T HN -0.120 nan 8.240 nan 0.000 0.510 41 L N 0.610 121.746 121.223 -0.144 0.000 2.469 41 L HA 0.650 4.990 4.340 -0.000 0.000 0.253 41 L C 1.713 178.453 176.870 -0.217 0.000 1.143 41 L CA -0.022 54.684 54.840 -0.222 0.000 0.804 41 L CB 0.478 42.263 42.059 -0.456 0.000 1.214 41 L HN 1.177 nan 8.230 nan 0.000 0.476 42 G N -0.758 107.924 108.800 -0.197 0.000 2.218 42 G HA2 0.008 3.968 3.960 -0.000 0.000 0.216 42 G HA3 0.008 3.968 3.960 -0.000 0.000 0.216 42 G C 0.628 175.516 174.900 -0.020 0.000 0.994 42 G CA -0.082 44.932 45.100 -0.143 0.000 0.637 42 G HN 1.406 nan 8.290 nan 0.000 0.505 43 G N -0.684 108.105 108.800 -0.019 0.000 2.578 43 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.275 43 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.275 43 G C 1.063 175.951 174.900 -0.020 0.000 1.271 43 G CA 1.398 46.493 45.100 -0.008 0.000 0.941 43 G HN 1.292 nan 8.290 nan 0.000 0.564 44 T N -0.449 114.096 114.554 -0.015 0.000 2.737 44 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 44 T C 2.442 177.138 174.700 -0.007 0.000 1.038 44 T CA 2.345 64.435 62.100 -0.017 0.000 1.144 44 T CB -0.670 68.191 68.868 -0.012 0.000 0.866 44 T HN 0.921 nan 8.240 nan 0.000 0.434 45 c N 1.251 119.855 118.600 0.006 0.000 2.388 45 c HA -0.071 4.499 4.570 -0.000 0.000 0.277 45 c C 2.552 176.636 174.090 -0.010 0.000 1.210 45 c CA 0.875 57.209 56.329 0.008 0.000 1.743 45 c CB -1.339 41.189 42.510 0.030 0.000 2.047 45 c HN 0.472 nan 8.230 nan 0.000 0.458 46 L N 1.937 123.151 121.223 -0.015 0.000 2.005 46 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 46 L C 2.262 179.105 176.870 -0.046 0.000 1.072 46 L CA 2.143 56.958 54.840 -0.043 0.000 0.744 46 L CB -1.326 40.688 42.059 -0.075 0.000 0.895 46 L HN 0.436 nan 8.230 nan 0.000 0.433 47 N N -0.587 118.088 118.700 -0.043 0.000 2.250 47 N HA -0.049 4.691 4.740 -0.000 0.000 0.181 47 N C 1.165 176.659 175.510 -0.025 0.000 1.017 47 N CA 1.875 54.902 53.050 -0.038 0.000 0.866 47 N CB 0.384 38.847 38.487 -0.040 0.000 0.985 47 N HN 0.462 nan 8.380 nan 0.000 0.429 48 V N -4.250 115.652 119.914 -0.020 0.000 3.355 48 V HA 0.583 4.703 4.120 -0.000 0.000 0.330 48 V C 0.612 176.707 176.094 0.001 0.000 1.479 48 V CA -0.098 62.198 62.300 -0.008 0.000 1.150 48 V CB 0.537 32.355 31.823 -0.009 0.000 1.044 48 V HN 0.115 nan 8.190 nan 0.000 0.501 49 G N 0.242 109.039 108.800 -0.005 0.000 3.069 49 G HA2 0.173 4.133 3.960 -0.000 0.000 0.205 49 G HA3 0.173 4.133 3.960 -0.000 0.000 0.205 49 G C 1.111 176.005 174.900 -0.009 0.000 1.771 49 G CA 0.755 45.857 45.100 0.003 0.000 0.739 49 G HN 0.326 nan 8.290 nan 0.000 0.784 50 c N 1.227 119.818 118.600 -0.016 0.000 2.393 50 c HA -0.048 4.522 4.570 -0.000 0.000 0.276 50 c C 2.798 176.828 174.090 -0.101 0.000 1.215 50 c CA 0.455 56.749 56.329 -0.058 0.000 1.743 50 c CB -1.327 41.153 42.510 -0.050 0.000 2.044 50 c HN 0.398 nan 8.230 nan 0.000 0.464 51 I N 2.410 122.935 120.570 -0.076 0.000 2.076 51 I HA -0.098 4.072 4.170 -0.000 0.000 0.237 51 I C -0.063 176.008 176.117 -0.076 0.000 1.059 51 I CA 1.681 62.931 61.300 -0.083 0.000 1.317 51 I CB -2.930 35.032 38.000 -0.063 0.000 1.037 51 I HN 0.180 nan 8.210 nan 0.000 0.398 52 P HA -0.112 nan 4.420 nan 0.000 0.215 52 P C 2.028 179.297 177.300 -0.052 0.000 1.153 52 P CA 2.195 65.269 63.100 -0.043 0.000 0.853 52 P CB -0.189 31.498 31.700 -0.021 0.000 0.788 53 S N -0.613 115.058 115.700 -0.048 0.000 2.368 53 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 53 S C 1.925 176.474 174.600 -0.085 0.000 1.029 53 S CA 1.154 59.325 58.200 -0.048 0.000 0.988 53 S CB -0.943 62.250 63.200 -0.011 0.000 0.838 53 S HN -0.015 nan 8.310 nan 0.000 0.462 54 K N 2.065 122.384 120.400 -0.135 0.000 2.097 54 K HA 0.262 4.582 4.320 -0.000 0.000 0.205 54 K C 2.335 178.863 176.600 -0.120 0.000 1.050 54 K CA 1.101 57.275 56.287 -0.187 0.000 0.938 54 K CB -0.883 31.423 32.500 -0.324 0.000 0.718 54 K HN 0.476 nan 8.250 nan 0.000 0.442 55 A N 0.642 123.404 122.820 -0.096 0.000 1.877 55 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 55 A C 2.071 179.611 177.584 -0.075 0.000 1.186 55 A CA 1.426 53.423 52.037 -0.067 0.000 0.620 55 A CB -0.709 18.258 19.000 -0.055 0.000 0.822 55 A HN 0.217 nan 8.150 nan 0.000 0.443 56 L N -0.913 120.249 121.223 -0.103 0.000 2.141 56 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 56 L C 2.529 179.308 176.870 -0.152 0.000 1.094 56 L CA 0.738 55.483 54.840 -0.158 0.000 0.763 56 L CB -0.490 41.436 42.059 -0.223 0.000 0.908 56 L HN 0.366 nan 8.230 nan 0.000 0.437 57 L N -0.295 120.864 121.223 -0.106 0.000 2.056 57 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 57 L C 2.376 179.210 176.870 -0.060 0.000 1.078 57 L CA 1.178 55.980 54.840 -0.064 0.000 0.749 57 L CB -0.469 41.584 42.059 -0.010 0.000 0.901 57 L HN 0.308 nan 8.230 nan 0.000 0.433 58 N N 0.180 118.833 118.700 -0.077 0.000 2.084 58 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 58 N C 1.615 177.039 175.510 -0.143 0.000 1.030 58 N CA 1.593 54.566 53.050 -0.128 0.000 0.849 58 N CB -0.084 38.367 38.487 -0.059 0.000 1.012 58 N HN 0.185 nan 8.380 nan 0.000 0.423 59 N N -0.206 118.476 118.700 -0.029 0.000 2.084 59 N HA -0.116 4.624 4.740 -0.000 0.000 0.190 59 N C 1.777 177.304 175.510 0.029 0.000 1.030 59 N CA 1.554 54.633 53.050 0.048 0.000 0.849 59 N CB -0.774 37.718 38.487 0.009 0.000 1.012 59 N HN 0.457 nan 8.380 nan 0.000 0.423 60 S N -0.085 115.587 115.700 -0.046 0.000 2.402 60 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 60 S C 1.892 176.538 174.600 0.077 0.000 1.021 60 S CA 1.079 59.267 58.200 -0.021 0.000 0.974 60 S CB -0.525 62.587 63.200 -0.147 0.000 0.800 60 S HN 0.459 nan 8.310 nan 0.000 0.484 61 H N 0.812 119.826 119.070 -0.093 0.000 2.326 61 H HA -0.037 4.519 4.556 0.000 0.000 0.301 61 H C 1.649 176.917 175.328 -0.100 0.000 1.081 61 H CA 1.871 57.844 56.048 -0.125 0.000 1.334 61 H CB -0.718 28.876 29.762 -0.279 0.000 1.385 61 H HN 0.420 nan 8.280 nan 0.000 0.504 62 Y N -0.753 119.438 120.300 -0.181 0.000 2.224 62 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 62 Y C 2.483 178.205 175.900 -0.297 0.000 1.146 62 Y CA 1.345 59.270 58.100 -0.292 0.000 1.182 62 Y CB -1.252 37.141 38.460 -0.111 0.000 0.983 62 Y HN 0.360 nan 8.280 nan 0.000 0.524 63 Y N -0.092 120.167 120.300 -0.068 0.000 2.181 63 Y HA -0.295 4.255 4.550 -0.000 0.000 0.288 63 Y C 2.802 178.635 175.900 -0.112 0.000 1.146 63 Y CA 2.211 60.256 58.100 -0.091 0.000 1.164 63 Y CB -0.687 37.734 38.460 -0.065 0.000 0.982 63 Y HN 0.245 nan 8.280 nan 0.000 0.515 64 H N -0.273 118.695 119.070 -0.170 0.000 2.389 64 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 64 H C 1.966 177.111 175.328 -0.306 0.000 1.081 64 H CA 2.378 58.302 56.048 -0.205 0.000 1.345 64 H CB -0.259 29.471 29.762 -0.053 0.000 1.393 64 H HN 0.387 nan 8.280 nan 0.000 0.520 65 M N -0.603 118.642 119.600 -0.591 0.000 2.175 65 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 65 M C 2.593 178.362 176.300 -0.884 0.000 1.063 65 M CA 1.412 56.300 55.300 -0.687 0.000 1.119 65 M CB -0.166 32.049 32.600 -0.641 0.000 1.377 65 M HN 0.451 nan 8.290 nan 0.000 0.415 66 A N -0.745 121.460 122.820 -1.024 0.000 1.872 66 A HA -0.196 4.124 4.320 -0.000 0.000 0.214 66 A C 1.833 179.133 177.584 -0.473 0.000 1.187 66 A CA 1.795 53.319 52.037 -0.855 0.000 0.614 66 A CB -0.988 17.631 19.000 -0.635 0.000 0.826 66 A HN 0.546 nan 8.150 nan 0.000 0.442 67 H N -0.682 118.000 119.070 -0.647 0.000 2.428 67 H HA 0.204 4.760 4.556 -0.000 0.000 0.296 67 H C 1.570 176.678 175.328 -0.368 0.000 1.062 67 H CA 0.903 56.626 56.048 -0.542 0.000 1.350 67 H CB -0.198 29.046 29.762 -0.864 0.000 1.403 67 H HN 0.468 nan 8.280 nan 0.000 0.533 68 G N -1.184 107.412 108.800 -0.339 0.000 2.624 68 G HA2 0.037 3.997 3.960 -0.000 0.000 0.217 68 G HA3 0.037 3.997 3.960 -0.000 0.000 0.217 68 G C 1.051 175.823 174.900 -0.212 0.000 1.506 68 G CA 0.347 45.274 45.100 -0.287 0.000 1.072 68 G HN 0.444 nan 8.290 nan 0.000 0.568 69 T N -2.865 111.601 114.554 -0.147 0.000 3.044 69 T HA 0.066 4.416 4.350 -0.000 0.000 0.250 69 T C 1.498 176.179 174.700 -0.031 0.000 1.081 69 T CA 1.140 63.199 62.100 -0.069 0.000 1.040 69 T CB 0.140 68.993 68.868 -0.026 0.000 0.962 69 T HN 0.445 nan 8.240 nan 0.000 0.506 70 D N 0.863 121.232 120.400 -0.052 0.000 2.108 70 D HA -0.170 4.470 4.640 -0.000 0.000 0.190 70 D C 1.526 177.935 176.300 0.182 0.000 0.995 70 D CA 1.289 55.319 54.000 0.049 0.000 0.834 70 D CB -0.169 40.648 40.800 0.027 0.000 0.967 70 D HN 0.295 nan 8.370 nan 0.000 0.446 71 F N 1.451 121.337 119.950 -0.106 0.000 2.126 71 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 71 F C 2.655 178.412 175.800 -0.071 0.000 1.096 71 F CA 0.871 58.820 58.000 -0.086 0.000 1.255 71 F CB -1.284 37.655 39.000 -0.102 0.000 0.997 71 F HN 0.028 nan 8.300 nan 0.000 0.479 72 A N -0.208 122.677 122.820 0.109 0.000 1.940 72 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 72 A C 2.339 179.932 177.584 0.014 0.000 1.176 72 A CA 2.097 54.153 52.037 0.031 0.000 0.631 72 A CB -1.168 17.831 19.000 -0.000 0.000 0.814 72 A HN 0.414 nan 8.150 nan 0.000 0.446 73 S N -0.729 114.986 115.700 0.025 0.000 2.507 73 S HA -0.050 4.420 4.470 -0.000 0.000 0.235 73 S C 1.552 176.152 174.600 0.001 0.000 0.988 73 S CA 0.940 59.150 58.200 0.016 0.000 0.944 73 S CB -0.284 62.933 63.200 0.028 0.000 0.762 73 S HN 0.616 nan 8.310 nan 0.000 0.526 74 R N 0.275 120.764 120.500 -0.018 0.000 2.362 74 R HA 0.325 4.665 4.340 -0.000 0.000 0.227 74 R C 1.298 177.550 176.300 -0.080 0.000 0.905 74 R CA 0.371 56.435 56.100 -0.061 0.000 1.067 74 R CB 0.208 30.434 30.300 -0.123 0.000 1.078 74 R HN 0.526 nan 8.270 nan 0.000 0.516 75 G N 1.575 110.341 108.800 -0.057 0.000 2.136 75 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 75 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 75 G C 0.083 174.936 174.900 -0.078 0.000 0.989 75 G CA -0.302 44.764 45.100 -0.057 0.000 0.682 75 G HN 0.257 nan 8.290 nan 0.000 0.522 76 I N 1.758 122.270 120.570 -0.098 0.000 2.310 76 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 76 I C -0.309 175.798 176.117 -0.016 0.000 1.073 76 I CA -0.627 60.607 61.300 -0.111 0.000 1.216 76 I CB 0.805 38.631 38.000 -0.290 0.000 1.415 76 I HN -0.026 nan 8.210 nan 0.000 0.480 77 E N 7.443 127.632 120.200 -0.017 0.000 2.174 77 E HA 0.550 4.900 4.350 -0.000 0.000 0.282 77 E C -0.695 175.906 176.600 0.001 0.000 0.992 77 E CA -0.467 55.930 56.400 -0.005 0.000 0.803 77 E CB 2.076 31.767 29.700 -0.015 0.000 1.090 77 E HN 0.435 nan 8.360 nan 0.000 0.396 78 M N 0.876 120.477 119.600 0.001 0.000 2.530 78 M HA 0.233 4.713 4.480 -0.000 0.000 0.307 78 M C 1.129 177.417 176.300 -0.021 0.000 1.161 78 M CA -0.447 54.851 55.300 -0.003 0.000 0.903 78 M CB 2.139 34.742 32.600 0.006 0.000 1.711 78 M HN 0.234 nan 8.290 nan 0.000 0.451 79 S N 0.230 115.920 115.700 -0.016 0.000 2.338 79 S HA -0.019 4.451 4.470 -0.000 0.000 0.218 79 S C 0.297 174.879 174.600 -0.029 0.000 1.032 79 S CA 1.004 59.192 58.200 -0.020 0.000 0.999 79 S CB 0.040 63.234 63.200 -0.010 0.000 0.905 79 S HN 0.735 nan 8.310 nan 0.000 0.439 80 E N 0.252 120.440 120.200 -0.020 0.000 2.308 80 E HA 0.469 4.819 4.350 -0.000 0.000 0.275 80 E C -1.984 174.616 176.600 -0.001 0.000 0.890 80 E CA -0.412 55.976 56.400 -0.019 0.000 0.754 80 E CB 1.951 31.655 29.700 0.006 0.000 1.207 80 E HN -0.037 nan 8.360 nan 0.000 0.426 81 V N 4.639 124.551 119.914 -0.003 0.000 2.384 81 V HA 0.525 4.645 4.120 -0.000 0.000 0.287 81 V C -0.103 176.110 176.094 0.198 0.000 1.020 81 V CA -0.535 61.797 62.300 0.054 0.000 0.850 81 V CB 1.363 33.160 31.823 -0.044 0.000 0.987 81 V HN 0.608 nan 8.190 nan 0.000 0.436 82 R N 3.458 124.079 120.500 0.202 0.000 2.803 82 R HA 0.667 5.007 4.340 -0.000 0.000 0.276 82 R C -1.314 175.139 176.300 0.254 0.000 0.978 82 R CA -1.044 55.191 56.100 0.225 0.000 0.939 82 R CB 2.498 32.870 30.300 0.120 0.000 1.179 82 R HN 0.528 nan 8.270 nan 0.000 0.472 83 L N 1.964 123.285 121.223 0.163 0.000 2.289 83 L HA 0.366 4.706 4.340 -0.000 0.000 0.285 83 L C -0.576 176.275 176.870 -0.032 0.000 1.049 83 L CA -0.170 54.644 54.840 -0.044 0.000 0.804 83 L CB 1.117 42.943 42.059 -0.388 0.000 1.195 83 L HN 0.504 nan 8.230 nan 0.000 0.428 84 N N 4.468 123.149 118.700 -0.030 0.000 2.898 84 N HA 0.068 4.808 4.740 -0.000 0.000 0.245 84 N C 0.670 176.160 175.510 -0.035 0.000 1.185 84 N CA -0.398 52.643 53.050 -0.016 0.000 0.879 84 N CB 0.364 38.853 38.487 0.003 0.000 1.157 84 N HN 0.777 nan 8.380 nan 0.000 0.503 85 L N 2.596 123.794 121.223 -0.042 0.000 2.051 85 L HA -0.157 4.183 4.340 -0.000 0.000 0.214 85 L C 1.606 178.472 176.870 -0.006 0.000 1.076 85 L CA 2.034 56.857 54.840 -0.029 0.000 0.758 85 L CB -0.589 41.483 42.059 0.023 0.000 0.890 85 L HN 0.554 nan 8.230 nan 0.000 0.433 86 D N -1.368 119.033 120.400 0.001 0.000 2.178 86 D HA -0.245 4.395 4.640 -0.000 0.000 0.201 86 D C 2.144 178.443 176.300 -0.002 0.000 0.980 86 D CA 1.017 55.019 54.000 0.005 0.000 0.842 86 D CB 0.035 40.837 40.800 0.004 0.000 0.948 86 D HN 0.176 nan 8.370 nan 0.000 0.472 87 K N 0.039 120.434 120.400 -0.007 0.000 2.062 87 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 87 K C 2.008 178.601 176.600 -0.012 0.000 1.051 87 K CA 0.936 57.219 56.287 -0.006 0.000 0.941 87 K CB -0.431 32.068 32.500 -0.002 0.000 0.719 87 K HN 0.206 nan 8.250 nan 0.000 0.440 88 M N -0.423 119.162 119.600 -0.025 0.000 2.108 88 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 88 M C 1.543 177.821 176.300 -0.037 0.000 1.066 88 M CA 1.509 56.785 55.300 -0.040 0.000 1.107 88 M CB -0.001 32.548 32.600 -0.084 0.000 1.356 88 M HN 0.145 nan 8.290 nan 0.000 0.406 89 M N -0.547 119.038 119.600 -0.023 0.000 2.229 89 M HA -0.166 4.314 4.480 -0.000 0.000 0.264 89 M C 1.927 178.221 176.300 -0.010 0.000 1.063 89 M CA 1.488 56.782 55.300 -0.010 0.000 1.114 89 M CB -1.296 31.313 32.600 0.015 0.000 1.387 89 M HN 0.437 nan 8.290 nan 0.000 0.420 90 E N 0.098 120.293 120.200 -0.009 0.000 2.077 90 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 90 E C 2.097 178.691 176.600 -0.011 0.000 0.989 90 E CA 1.009 57.404 56.400 -0.008 0.000 0.800 90 E CB 0.053 29.750 29.700 -0.006 0.000 0.746 90 E HN 0.354 nan 8.360 nan 0.000 0.452 91 Q N 1.485 121.279 119.800 -0.011 0.000 2.061 91 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 91 Q C 2.088 178.079 176.000 -0.016 0.000 0.984 91 Q CA 1.801 57.599 55.803 -0.009 0.000 0.846 91 Q CB -0.242 28.495 28.738 -0.002 0.000 0.902 91 Q HN 0.206 nan 8.270 nan 0.000 0.421 92 K N -0.269 120.118 120.400 -0.022 0.000 1.991 92 K HA -0.115 4.205 4.320 -0.000 0.000 0.212 92 K C 2.166 178.751 176.600 -0.025 0.000 1.049 92 K CA 1.793 58.063 56.287 -0.028 0.000 0.932 92 K CB -0.126 32.354 32.500 -0.032 0.000 0.717 92 K HN 0.088 nan 8.250 nan 0.000 0.441 93 S N 0.302 115.990 115.700 -0.020 0.000 2.383 93 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 93 S C 1.874 176.459 174.600 -0.024 0.000 1.030 93 S CA 1.801 59.989 58.200 -0.019 0.000 1.002 93 S CB -0.370 62.822 63.200 -0.013 0.000 0.829 93 S HN 0.478 nan 8.310 nan 0.000 0.467 94 T N 2.194 116.735 114.554 -0.022 0.000 2.746 94 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 94 T C 2.162 176.844 174.700 -0.030 0.000 1.039 94 T CA 1.222 63.308 62.100 -0.024 0.000 1.142 94 T CB -0.464 68.392 68.868 -0.019 0.000 0.866 94 T HN 0.471 nan 8.240 nan 0.000 0.444 95 A N 0.924 123.726 122.820 -0.030 0.000 1.902 95 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 95 A C 2.585 180.141 177.584 -0.046 0.000 1.181 95 A CA 1.312 53.327 52.037 -0.036 0.000 0.623 95 A CB -1.039 17.941 19.000 -0.034 0.000 0.818 95 A HN 0.339 nan 8.150 nan 0.000 0.443 96 V N 0.366 120.253 119.914 -0.045 0.000 2.295 96 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 96 V C 2.580 178.638 176.094 -0.059 0.000 1.049 96 V CA 2.488 64.757 62.300 -0.053 0.000 1.024 96 V CB -0.659 31.138 31.823 -0.044 0.000 0.648 96 V HN 0.723 nan 8.190 nan 0.000 0.447 97 K N 0.187 120.558 120.400 -0.049 0.000 2.057 97 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 97 K C 2.181 178.745 176.600 -0.059 0.000 1.049 97 K CA 1.597 57.854 56.287 -0.050 0.000 0.931 97 K CB -0.359 32.119 32.500 -0.037 0.000 0.714 97 K HN 0.415 nan 8.250 nan 0.000 0.440 98 A N 1.311 124.097 122.820 -0.056 0.000 1.883 98 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 98 A C 2.127 179.662 177.584 -0.081 0.000 1.186 98 A CA 1.446 53.446 52.037 -0.062 0.000 0.624 98 A CB -0.630 18.338 19.000 -0.053 0.000 0.822 98 A HN 0.338 nan 8.150 nan 0.000 0.444 99 L N -0.138 121.032 121.223 -0.088 0.000 2.093 99 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 99 L C 3.020 179.790 176.870 -0.167 0.000 1.085 99 L CA 1.722 56.492 54.840 -0.117 0.000 0.755 99 L CB -0.873 41.124 42.059 -0.104 0.000 0.904 99 L HN 0.671 nan 8.230 nan 0.000 0.435 100 T N -3.156 111.308 114.554 -0.151 0.000 2.821 100 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 100 T C 1.958 176.549 174.700 -0.181 0.000 1.046 100 T CA 1.040 63.029 62.100 -0.186 0.000 1.139 100 T CB -0.905 67.884 68.868 -0.132 0.000 0.871 100 T HN 0.369 nan 8.240 nan 0.000 0.454 101 G N 1.153 109.881 108.800 -0.121 0.000 2.422 101 G HA2 0.094 4.054 3.960 -0.000 0.000 0.218 101 G HA3 0.094 4.054 3.960 -0.000 0.000 0.218 101 G C 1.713 176.558 174.900 -0.093 0.000 1.146 101 G CA 0.626 45.673 45.100 -0.088 0.000 0.769 101 G HN 0.664 nan 8.290 nan 0.000 0.547 102 G N 1.096 109.825 108.800 -0.118 0.000 2.418 102 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 102 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 102 G C 1.750 176.556 174.900 -0.156 0.000 1.158 102 G CA 0.811 45.849 45.100 -0.103 0.000 0.771 102 G HN 0.452 nan 8.290 nan 0.000 0.545 103 I N 1.298 121.667 120.570 -0.334 0.000 2.252 103 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 103 I C 3.303 179.091 176.117 -0.549 0.000 1.102 103 I CA 0.868 61.816 61.300 -0.585 0.000 1.385 103 I CB -0.279 37.170 38.000 -0.918 0.000 1.064 103 I HN 0.244 nan 8.210 nan 0.000 0.414 104 A N 0.216 122.815 122.820 -0.370 0.000 1.908 104 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 104 A C 2.367 179.924 177.584 -0.045 0.000 1.181 104 A CA 1.895 53.809 52.037 -0.204 0.000 0.627 104 A CB -1.119 17.833 19.000 -0.079 0.000 0.818 104 A HN 0.519 nan 8.150 nan 0.000 0.445 105 H N -0.109 118.908 119.070 -0.088 0.000 2.353 105 H HA -0.025 4.531 4.556 -0.000 0.000 0.300 105 H C 1.932 177.268 175.328 0.015 0.000 1.090 105 H CA 1.779 57.814 56.048 -0.023 0.000 1.327 105 H CB -0.137 29.605 29.762 -0.034 0.000 1.383 105 H HN 0.430 nan 8.280 nan 0.000 0.508 106 L N -0.217 121.019 121.223 0.022 0.000 2.083 106 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 106 L C 2.605 179.572 176.870 0.162 0.000 1.083 106 L CA 0.651 55.529 54.840 0.064 0.000 0.752 106 L CB -0.498 41.614 42.059 0.089 0.000 0.899 106 L HN 0.173 nan 8.230 nan 0.000 0.433 107 F N 0.752 120.666 119.950 -0.059 0.000 2.102 107 F HA -0.228 4.299 4.527 0.000 0.000 0.298 107 F C 2.634 178.396 175.800 -0.063 0.000 1.105 107 F CA 1.389 59.361 58.000 -0.046 0.000 1.239 107 F CB -0.773 38.191 39.000 -0.061 0.000 0.991 107 F HN 0.069 nan 8.300 nan 0.000 0.474 108 K N 0.418 120.877 120.400 0.097 0.000 2.057 108 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 108 K C 2.139 178.693 176.600 -0.076 0.000 1.049 108 K CA 1.523 57.802 56.287 -0.013 0.000 0.931 108 K CB -0.304 32.155 32.500 -0.068 0.000 0.714 108 K HN 0.311 nan 8.250 nan 0.000 0.440 109 Q N 0.271 119.976 119.800 -0.159 0.000 2.124 109 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 109 Q C 0.970 176.952 176.000 -0.030 0.000 0.977 109 Q CA 1.471 57.198 55.803 -0.126 0.000 0.850 109 Q CB 0.098 28.753 28.738 -0.137 0.000 0.901 109 Q HN 0.372 nan 8.270 nan 0.000 0.429 110 N N 0.137 118.843 118.700 0.009 0.000 2.270 110 N HA 0.025 4.765 4.740 -0.000 0.000 0.198 110 N C -0.575 174.933 175.510 -0.003 0.000 1.117 110 N CA 0.201 53.263 53.050 0.019 0.000 0.845 110 N CB 0.633 39.153 38.487 0.055 0.000 0.980 110 N HN 0.107 nan 8.380 nan 0.000 0.486 111 K N -0.077 120.318 120.400 -0.009 0.000 3.071 111 K HA -0.117 4.203 4.320 -0.000 0.000 0.265 111 K C -0.836 175.732 176.600 -0.053 0.000 1.060 111 K CA 0.180 56.455 56.287 -0.020 0.000 0.767 111 K CB -1.721 30.770 32.500 -0.015 0.000 1.241 111 K HN -0.040 nan 8.250 nan 0.000 0.486 112 V N 1.260 121.112 119.914 -0.104 0.000 2.488 112 V HA 0.133 4.253 4.120 -0.000 0.000 0.277 112 V C 0.628 176.600 176.094 -0.204 0.000 1.046 112 V CA -0.691 61.445 62.300 -0.273 0.000 0.986 112 V CB 1.525 32.916 31.823 -0.720 0.000 0.989 112 V HN 0.088 nan 8.190 nan 0.000 0.475 113 V N 5.940 125.766 119.914 -0.147 0.000 2.455 113 V HA 0.153 4.273 4.120 -0.000 0.000 0.273 113 V C 0.340 176.435 176.094 0.001 0.000 1.045 113 V CA -0.306 61.968 62.300 -0.043 0.000 0.976 113 V CB 0.457 32.264 31.823 -0.026 0.000 0.993 113 V HN 0.874 nan 8.190 nan 0.000 0.475 114 H N 4.557 123.615 119.070 -0.020 0.000 2.552 114 H HA 0.585 5.141 4.556 -0.000 0.000 0.311 114 H C -1.202 174.154 175.328 0.046 0.000 1.071 114 H CA -0.716 55.367 56.048 0.059 0.000 1.307 114 H CB 1.466 31.341 29.762 0.188 0.000 1.416 114 H HN 0.471 nan 8.280 nan 0.000 0.464 115 V N 6.445 126.439 119.914 0.132 0.000 2.448 115 V HA 0.103 4.223 4.120 -0.000 0.000 0.295 115 V C 0.129 176.190 176.094 -0.054 0.000 1.025 115 V CA -0.888 61.392 62.300 -0.033 0.000 0.859 115 V CB 1.450 33.286 31.823 0.022 0.000 0.988 115 V HN 0.820 nan 8.190 nan 0.000 0.431 116 N N 3.067 121.666 118.700 -0.168 0.000 2.438 116 N HA 0.679 5.419 4.740 -0.000 0.000 0.282 116 N C -0.073 175.440 175.510 0.005 0.000 1.037 116 N CA 0.493 53.498 53.050 -0.076 0.000 0.942 116 N CB 1.711 40.123 38.487 -0.126 0.000 1.136 116 N HN 1.004 nan 8.380 nan 0.000 0.481 117 G N 1.715 110.546 108.800 0.053 0.000 2.352 117 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.302 117 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.302 117 G C -2.267 172.704 174.900 0.118 0.000 1.370 117 G CA -0.869 44.283 45.100 0.088 0.000 0.918 117 G HN 0.484 nan 8.290 nan 0.000 0.610 118 Y N 1.461 121.792 120.300 0.052 0.000 2.436 118 Y HA 0.513 5.063 4.550 -0.000 0.000 0.343 118 Y C 0.984 176.919 175.900 0.058 0.000 1.008 118 Y CA 0.602 58.742 58.100 0.067 0.000 1.241 118 Y CB 1.001 39.501 38.460 0.066 0.000 1.153 118 Y HN 0.780 nan 8.280 nan 0.000 0.521 119 G N 5.319 114.166 108.800 0.077 0.000 2.353 119 G HA2 0.407 4.367 3.960 -0.000 0.000 0.284 119 G HA3 0.407 4.367 3.960 -0.000 0.000 0.284 119 G C -1.307 173.703 174.900 0.183 0.000 1.172 119 G CA -0.719 44.448 45.100 0.111 0.000 0.854 119 G HN 0.607 nan 8.290 nan 0.000 0.485 120 K N 2.560 123.052 120.400 0.154 0.000 2.471 120 K HA 0.424 4.744 4.320 -0.000 0.000 0.252 120 K C -0.282 176.362 176.600 0.073 0.000 0.938 120 K CA -0.743 55.622 56.287 0.129 0.000 0.796 120 K CB 1.165 33.738 32.500 0.121 0.000 1.161 120 K HN 0.358 nan 8.250 nan 0.000 0.425 121 I N 5.467 126.070 120.570 0.055 0.000 2.483 121 I HA 0.005 4.175 4.170 -0.000 0.000 0.291 121 I C 1.011 177.145 176.117 0.029 0.000 1.112 121 I CA 0.006 61.328 61.300 0.036 0.000 1.350 121 I CB 0.679 38.697 38.000 0.028 0.000 1.419 121 I HN 0.865 nan 8.210 nan 0.000 0.523 122 T N 1.287 115.856 114.554 0.026 0.000 3.065 122 T HA 0.263 4.613 4.350 -0.000 0.000 0.252 122 T C 0.742 175.450 174.700 0.014 0.000 1.099 122 T CA 0.091 62.203 62.100 0.019 0.000 1.063 122 T CB 0.425 69.305 68.868 0.020 0.000 0.948 122 T HN 0.668 nan 8.240 nan 0.000 0.506 123 G N -0.044 108.764 108.800 0.014 0.000 2.682 123 G HA2 0.473 4.433 3.960 -0.000 0.000 0.290 123 G HA3 0.473 4.433 3.960 -0.000 0.000 0.290 123 G C -0.141 174.765 174.900 0.010 0.000 1.425 123 G CA -0.924 44.182 45.100 0.010 0.000 0.807 123 G HN -0.014 nan 8.290 nan 0.000 0.482 124 K N -0.713 119.692 120.400 0.007 0.000 2.362 124 K HA -0.011 4.309 4.320 -0.000 0.000 0.200 124 K C 0.342 176.949 176.600 0.011 0.000 1.046 124 K CA 1.114 57.405 56.287 0.006 0.000 0.952 124 K CB 0.051 32.552 32.500 0.002 0.000 0.753 124 K HN 0.349 nan 8.250 nan 0.000 0.466 125 N N 0.600 119.308 118.700 0.012 0.000 2.588 125 N HA 0.060 4.800 4.740 -0.000 0.000 0.298 125 N C -1.506 174.011 175.510 0.013 0.000 1.718 125 N CA -0.187 52.872 53.050 0.014 0.000 0.888 125 N CB 1.091 39.586 38.487 0.013 0.000 1.389 125 N HN 0.037 nan 8.380 nan 0.000 0.491 126 Q N 0.421 120.229 119.800 0.014 0.000 2.352 126 Q HA 0.497 4.837 4.340 -0.000 0.000 0.270 126 Q C -2.077 173.934 176.000 0.019 0.000 1.006 126 Q CA -0.606 55.205 55.803 0.015 0.000 0.880 126 Q CB 1.860 30.606 28.738 0.014 0.000 1.392 126 Q HN -0.016 nan 8.270 nan 0.000 0.401 127 V N 2.138 122.064 119.914 0.021 0.000 2.656 127 V HA 0.614 4.734 4.120 -0.000 0.000 0.307 127 V C -0.649 175.464 176.094 0.032 0.000 1.051 127 V CA -0.542 61.776 62.300 0.029 0.000 0.893 127 V CB 2.220 34.060 31.823 0.028 0.000 0.999 127 V HN 0.863 nan 8.190 nan 0.000 0.426 128 T N 3.561 118.141 114.554 0.043 0.000 2.792 128 T HA 0.728 5.078 4.350 -0.000 0.000 0.280 128 T C -0.189 174.550 174.700 0.065 0.000 0.990 128 T CA -0.305 61.822 62.100 0.044 0.000 0.960 128 T CB 1.588 70.479 68.868 0.038 0.000 0.939 128 T HN 0.959 nan 8.240 nan 0.000 0.439 129 A N 2.877 125.733 122.820 0.059 0.000 2.303 129 A HA 0.705 5.025 4.320 -0.000 0.000 0.320 129 A C 0.111 177.739 177.584 0.074 0.000 1.192 129 A CA -0.708 51.376 52.037 0.079 0.000 0.821 129 A CB 0.590 19.625 19.000 0.059 0.000 1.188 129 A HN 0.696 nan 8.150 nan 0.000 0.492 130 T N 3.321 117.937 114.554 0.104 0.000 2.770 130 T HA 0.408 4.758 4.350 -0.000 0.000 0.283 130 T C 0.110 174.863 174.700 0.087 0.000 0.988 130 T CA -0.437 61.711 62.100 0.080 0.000 0.957 130 T CB 0.976 69.883 68.868 0.066 0.000 0.930 130 T HN 0.626 nan 8.240 nan 0.000 0.443 131 K N 1.268 121.701 120.400 0.055 0.000 2.140 131 K HA 0.594 4.914 4.320 -0.000 0.000 0.237 131 K C 1.602 178.230 176.600 0.048 0.000 1.045 131 K CA -0.240 56.077 56.287 0.050 0.000 0.896 131 K CB 0.048 32.563 32.500 0.026 0.000 1.122 131 K HN 0.542 nan 8.250 nan 0.000 0.503 132 A N 1.050 123.895 122.820 0.043 0.000 1.902 132 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 132 A C 1.225 178.822 177.584 0.022 0.000 1.181 132 A CA 2.061 54.119 52.037 0.036 0.000 0.623 132 A CB -0.782 18.238 19.000 0.033 0.000 0.818 132 A HN 0.850 nan 8.150 nan 0.000 0.443 133 D N -1.222 119.188 120.400 0.018 0.000 2.332 133 D HA 0.228 4.868 4.640 -0.000 0.000 0.244 133 D C 1.113 177.420 176.300 0.010 0.000 1.136 133 D CA 0.904 54.911 54.000 0.012 0.000 0.884 133 D CB -0.906 39.899 40.800 0.009 0.000 0.906 133 D HN 0.822 nan 8.370 nan 0.000 0.520 134 G N -0.723 108.085 108.800 0.013 0.000 2.184 134 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.264 134 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.264 134 G C 0.717 175.625 174.900 0.013 0.000 0.975 134 G CA 0.161 45.268 45.100 0.011 0.000 0.642 134 G HN 0.820 nan 8.290 nan 0.000 0.536 135 G N -0.821 107.987 108.800 0.014 0.000 2.559 135 G HA2 0.477 4.437 3.960 -0.000 0.000 0.235 135 G HA3 0.477 4.437 3.960 -0.000 0.000 0.235 135 G C -0.077 174.833 174.900 0.017 0.000 1.266 135 G CA 1.065 46.173 45.100 0.012 0.000 0.847 135 G HN 0.676 nan 8.290 nan 0.000 0.583 136 T N 0.710 115.272 114.554 0.014 0.000 2.881 136 T HA 0.475 4.825 4.350 -0.000 0.000 0.290 136 T C -0.730 173.979 174.700 0.015 0.000 1.000 136 T CA -0.292 61.819 62.100 0.018 0.000 0.978 136 T CB 1.739 70.616 68.868 0.016 0.000 0.997 136 T HN 0.575 nan 8.240 nan 0.000 0.443 137 Q N 3.125 122.937 119.800 0.019 0.000 2.310 137 Q HA 0.628 4.968 4.340 -0.000 0.000 0.270 137 Q C -1.595 174.416 176.000 0.019 0.000 1.025 137 Q CA -0.533 55.279 55.803 0.015 0.000 0.772 137 Q CB 1.372 30.116 28.738 0.011 0.000 1.253 137 Q HN 0.456 nan 8.270 nan 0.000 0.450 138 V N 5.408 125.331 119.914 0.015 0.000 2.472 138 V HA 0.575 4.695 4.120 -0.000 0.000 0.290 138 V C -0.480 175.621 176.094 0.013 0.000 1.037 138 V CA -0.631 61.678 62.300 0.016 0.000 0.908 138 V CB 1.454 33.285 31.823 0.014 0.000 0.985 138 V HN 0.722 nan 8.190 nan 0.000 0.454 139 I N 3.697 124.276 120.570 0.014 0.000 2.439 139 I HA 0.386 4.556 4.170 -0.000 0.000 0.285 139 I C -0.413 175.710 176.117 0.009 0.000 1.021 139 I CA -0.237 61.068 61.300 0.009 0.000 1.091 139 I CB 1.698 39.702 38.000 0.007 0.000 1.242 139 I HN 0.462 nan 8.210 nan 0.000 0.439 140 D N 4.644 125.049 120.400 0.008 0.000 2.313 140 D HA 0.322 4.962 4.640 -0.000 0.000 0.239 140 D C -0.102 176.202 176.300 0.007 0.000 1.142 140 D CA 0.144 54.149 54.000 0.009 0.000 0.847 140 D CB 1.947 42.753 40.800 0.010 0.000 1.082 140 D HN 0.441 nan 8.370 nan 0.000 0.480 141 T N 0.855 115.412 114.554 0.006 0.000 2.906 141 T HA 0.217 4.567 4.350 -0.000 0.000 0.295 141 T C 0.937 175.640 174.700 0.005 0.000 1.061 141 T CA -0.645 61.455 62.100 0.000 0.000 1.000 141 T CB 1.679 70.541 68.868 -0.010 0.000 1.103 141 T HN 0.133 nan 8.240 nan 0.000 0.486 142 K N 1.668 122.069 120.400 0.002 0.000 2.062 142 K HA 0.136 4.456 4.320 -0.000 0.000 0.205 142 K C 0.566 177.175 176.600 0.014 0.000 1.051 142 K CA 0.782 57.077 56.287 0.013 0.000 0.941 142 K CB 0.086 32.600 32.500 0.022 0.000 0.719 142 K HN 0.466 nan 8.250 nan 0.000 0.440 143 N N 0.170 118.860 118.700 -0.018 0.000 2.312 143 N HA 0.396 5.136 4.740 -0.000 0.000 0.296 143 N C -0.985 174.526 175.510 0.003 0.000 1.193 143 N CA -0.488 52.571 53.050 0.016 0.000 0.773 143 N CB 2.306 40.762 38.487 -0.053 0.000 1.435 143 N HN -0.089 nan 8.380 nan 0.000 0.484 144 I N 1.470 122.085 120.570 0.074 0.000 2.498 144 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 144 I C -1.045 175.128 176.117 0.095 0.000 1.032 144 I CA -0.853 60.478 61.300 0.051 0.000 1.073 144 I CB 2.230 40.260 38.000 0.051 0.000 1.251 144 I HN 0.169 nan 8.210 nan 0.000 0.426 145 L N 8.138 129.377 121.223 0.027 0.000 2.319 145 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 145 L C -0.734 176.158 176.870 0.036 0.000 1.005 145 L CA -0.141 54.720 54.840 0.035 0.000 0.828 145 L CB 1.092 43.112 42.059 -0.065 0.000 1.227 145 L HN 0.389 nan 8.230 nan 0.000 0.415 146 I N 5.542 126.152 120.570 0.066 0.000 2.352 146 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 146 I C 0.479 176.622 176.117 0.044 0.000 1.036 146 I CA 0.007 61.337 61.300 0.052 0.000 1.336 146 I CB 1.362 39.397 38.000 0.058 0.000 1.407 146 I HN 0.832 nan 8.210 nan 0.000 0.497 147 A N 3.563 126.404 122.820 0.035 0.000 3.234 147 A HA 0.221 4.541 4.320 -0.000 0.000 0.247 147 A C 0.841 178.453 177.584 0.047 0.000 0.938 147 A CA -0.345 51.710 52.037 0.030 0.000 1.039 147 A CB -0.353 18.653 19.000 0.010 0.000 1.197 147 A HN 0.734 nan 8.150 nan 0.000 0.498 148 T N -2.821 111.775 114.554 0.070 0.000 3.160 148 T HA 0.403 4.753 4.350 -0.000 0.000 0.257 148 T C 1.472 176.266 174.700 0.156 0.000 1.147 148 T CA 1.117 63.288 62.100 0.118 0.000 1.064 148 T CB -0.368 68.590 68.868 0.149 0.000 0.949 148 T HN 1.992 nan 8.240 nan 0.000 0.526 149 G N 1.881 110.742 108.800 0.102 0.000 2.596 149 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.295 149 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.295 149 G C 0.123 175.100 174.900 0.128 0.000 1.240 149 G CA 0.620 45.772 45.100 0.086 0.000 0.985 149 G HN 1.584 nan 8.290 nan 0.000 0.555 150 S N -0.630 115.120 115.700 0.083 0.000 2.806 150 S HA 0.840 5.310 4.470 -0.000 0.000 0.306 150 S C -0.643 173.969 174.600 0.019 0.000 1.167 150 S CA 0.394 58.653 58.200 0.098 0.000 0.847 150 S CB 2.469 65.709 63.200 0.068 0.000 1.216 150 S HN 1.802 nan 8.310 nan 0.000 0.532 151 E N -0.756 119.474 120.200 0.050 0.000 2.430 151 E HA 0.601 4.951 4.350 -0.000 0.000 0.279 151 E C -1.471 175.155 176.600 0.044 0.000 1.003 151 E CA -1.288 55.111 56.400 -0.001 0.000 0.801 151 E CB 1.239 30.942 29.700 0.006 0.000 1.313 151 E HN 0.405 nan 8.360 nan 0.000 0.459 152 V N 1.278 121.211 119.914 0.033 0.000 2.763 152 V HA 0.095 4.215 4.120 -0.000 0.000 0.306 152 V C 0.129 176.264 176.094 0.069 0.000 1.059 152 V CA 0.299 62.630 62.300 0.052 0.000 1.138 152 V CB 1.058 32.909 31.823 0.046 0.000 0.940 152 V HN 0.709 nan 8.190 nan 0.000 0.489 153 T N 7.286 121.884 114.554 0.073 0.000 2.728 153 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 153 T C -2.269 172.481 174.700 0.083 0.000 0.940 153 T CA -0.774 61.367 62.100 0.069 0.000 1.013 153 T CB 1.109 70.011 68.868 0.056 0.000 0.912 153 T HN 0.522 nan 8.240 nan 0.000 0.484 154 P HA 0.204 nan 4.420 nan 0.000 0.269 154 P C -0.893 176.483 177.300 0.127 0.000 1.215 154 P CA -0.520 62.641 63.100 0.101 0.000 0.780 154 P CB 0.380 32.126 31.700 0.075 0.000 0.898 155 F N 3.893 123.851 119.950 0.014 0.000 2.361 155 F HA 0.372 4.899 4.527 0.000 0.000 0.364 155 F C -2.080 173.723 175.800 0.006 0.000 1.117 155 F CA -3.035 54.970 58.000 0.008 0.000 1.071 155 F CB 0.764 39.771 39.000 0.012 0.000 1.188 155 F HN 0.181 nan 8.300 nan 0.000 0.464 156 P HA 0.119 nan 4.420 nan 0.000 0.258 156 P C 0.616 178.011 177.300 0.158 0.000 1.172 156 P CA 1.341 64.447 63.100 0.009 0.000 0.762 156 P CB 0.611 32.238 31.700 -0.122 0.000 0.764 157 G N 2.991 111.876 108.800 0.141 0.000 2.194 157 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 157 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 157 G C 0.001 174.987 174.900 0.143 0.000 0.987 157 G CA -0.197 44.987 45.100 0.140 0.000 0.635 157 G HN 0.545 nan 8.290 nan 0.000 0.520 158 I N 1.945 122.626 120.570 0.185 0.000 2.439 158 I HA 0.354 4.524 4.170 -0.000 0.000 0.285 158 I C -0.315 175.849 176.117 0.078 0.000 1.021 158 I CA -0.606 60.747 61.300 0.088 0.000 1.091 158 I CB 2.133 40.127 38.000 -0.010 0.000 1.242 158 I HN -0.027 nan 8.210 nan 0.000 0.439 159 T N 7.030 121.609 114.554 0.041 0.000 2.733 159 T HA 0.473 4.823 4.350 -0.000 0.000 0.294 159 T C 0.280 174.991 174.700 0.018 0.000 0.956 159 T CA -0.269 61.852 62.100 0.035 0.000 0.987 159 T CB 0.503 69.387 68.868 0.026 0.000 0.920 159 T HN 0.273 nan 8.240 nan 0.000 0.470 160 I N 4.010 124.594 120.570 0.024 0.000 2.533 160 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 160 I C 0.854 176.973 176.117 0.004 0.000 1.109 160 I CA -0.068 61.238 61.300 0.010 0.000 1.412 160 I CB 0.760 38.773 38.000 0.020 0.000 1.396 160 I HN 0.732 nan 8.210 nan 0.000 0.543 161 D N 4.142 124.537 120.400 -0.009 0.000 2.469 161 D HA -0.026 4.614 4.640 -0.000 0.000 0.213 161 D C 0.336 176.628 176.300 -0.015 0.000 1.135 161 D CA -0.124 53.870 54.000 -0.010 0.000 0.834 161 D CB 0.219 41.010 40.800 -0.015 0.000 1.009 161 D HN 0.388 nan 8.370 nan 0.000 0.507 162 E N -0.267 119.922 120.200 -0.018 0.000 2.637 162 E HA -0.242 4.108 4.350 -0.000 0.000 0.265 162 E C -0.220 176.359 176.600 -0.035 0.000 1.073 162 E CA 1.302 57.688 56.400 -0.022 0.000 0.778 162 E CB -1.693 28.000 29.700 -0.012 0.000 1.362 162 E HN 0.628 nan 8.360 nan 0.000 0.413 163 D N -1.375 118.999 120.400 -0.045 0.000 3.054 163 D HA 0.092 4.732 4.640 -0.000 0.000 0.209 163 D C 1.631 177.884 176.300 -0.077 0.000 1.527 163 D CA 1.546 55.513 54.000 -0.055 0.000 1.427 163 D CB -0.109 40.665 40.800 -0.044 0.000 1.059 163 D HN 0.078 nan 8.370 nan 0.000 0.243 164 T N -1.454 113.057 114.554 -0.071 0.000 3.037 164 T HA 0.336 4.686 4.350 -0.000 0.000 0.251 164 T C 0.839 175.488 174.700 -0.086 0.000 1.079 164 T CA -0.033 62.016 62.100 -0.087 0.000 1.067 164 T CB 0.264 69.088 68.868 -0.074 0.000 0.948 164 T HN 0.136 nan 8.240 nan 0.000 0.496 165 I N 3.323 123.852 120.570 -0.067 0.000 2.420 165 I HA 0.488 4.658 4.170 -0.000 0.000 0.282 165 I C -0.577 175.510 176.117 -0.049 0.000 1.019 165 I CA -1.289 59.974 61.300 -0.062 0.000 1.130 165 I CB 1.859 39.828 38.000 -0.051 0.000 1.262 165 I HN 0.097 nan 8.210 nan 0.000 0.454 166 V N 2.646 122.528 119.914 -0.053 0.000 2.919 166 V HA 0.769 4.889 4.120 -0.000 0.000 0.316 166 V C 0.216 176.305 176.094 -0.009 0.000 1.077 166 V CA -0.469 61.810 62.300 -0.034 0.000 0.977 166 V CB 1.724 33.516 31.823 -0.052 0.000 1.039 166 V HN 0.703 nan 8.190 nan 0.000 0.441 167 S N 1.440 117.145 115.700 0.008 0.000 2.694 167 S HA 0.347 4.817 4.470 -0.000 0.000 0.278 167 S C 1.460 176.082 174.600 0.038 0.000 1.152 167 S CA 0.149 58.366 58.200 0.028 0.000 1.010 167 S CB 1.034 64.252 63.200 0.030 0.000 1.104 167 S HN 1.900 nan 8.310 nan 0.000 0.547 168 S N 0.008 115.741 115.700 0.054 0.000 2.400 168 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 168 S C 1.691 176.328 174.600 0.063 0.000 1.025 168 S CA 1.661 59.904 58.200 0.071 0.000 0.993 168 S CB -1.658 61.586 63.200 0.074 0.000 0.808 168 S HN 0.776 nan 8.310 nan 0.000 0.478 169 T N 1.970 116.549 114.554 0.040 0.000 2.708 169 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 169 T C 2.017 176.739 174.700 0.036 0.000 1.037 169 T CA 1.525 63.644 62.100 0.031 0.000 1.146 169 T CB -1.079 67.797 68.868 0.014 0.000 0.865 169 T HN 0.657 nan 8.240 nan 0.000 0.435 170 G N 0.782 109.597 108.800 0.025 0.000 2.403 170 G HA2 0.043 4.003 3.960 -0.000 0.000 0.216 170 G HA3 0.043 4.003 3.960 -0.000 0.000 0.216 170 G C 1.777 176.690 174.900 0.022 0.000 1.154 170 G CA 0.753 45.859 45.100 0.010 0.000 0.784 170 G HN 0.570 nan 8.290 nan 0.000 0.538 171 A N 0.384 123.234 122.820 0.051 0.000 2.015 171 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 171 A C 2.204 179.991 177.584 0.339 0.000 1.163 171 A CA 0.718 52.824 52.037 0.114 0.000 0.646 171 A CB -0.245 18.843 19.000 0.147 0.000 0.806 171 A HN 0.356 nan 8.150 nan 0.000 0.448 172 L N -0.784 120.571 121.223 0.220 0.000 2.599 172 L HA 0.079 4.419 4.340 -0.000 0.000 0.230 172 L C 0.910 177.894 176.870 0.189 0.000 1.141 172 L CA 0.452 55.413 54.840 0.201 0.000 0.877 172 L CB 0.241 42.357 42.059 0.096 0.000 1.009 172 L HN 0.217 nan 8.230 nan 0.000 0.447 173 S N -0.327 115.477 115.700 0.172 0.000 3.021 173 S HA 0.328 4.798 4.470 -0.000 0.000 0.252 173 S C 0.311 174.967 174.600 0.092 0.000 0.996 173 S CA -0.509 57.764 58.200 0.120 0.000 1.084 173 S CB 0.347 63.581 63.200 0.057 0.000 1.021 173 S HN 0.082 nan 8.310 nan 0.000 0.566 174 L N 1.867 123.152 121.223 0.103 0.000 2.506 174 L HA 0.155 4.495 4.340 -0.000 0.000 0.281 174 L C 1.398 178.266 176.870 -0.002 0.000 1.228 174 L CA -0.073 54.711 54.840 -0.092 0.000 0.850 174 L CB 0.406 42.146 42.059 -0.531 0.000 1.110 174 L HN 0.032 nan 8.230 nan 0.000 0.496 175 K N 2.181 122.549 120.400 -0.054 0.000 2.426 175 K HA 0.086 4.406 4.320 -0.000 0.000 0.193 175 K C -0.125 176.462 176.600 -0.020 0.000 1.028 175 K CA 0.550 56.826 56.287 -0.019 0.000 1.047 175 K CB 0.033 32.514 32.500 -0.030 0.000 0.821 175 K HN 0.622 nan 8.250 nan 0.000 0.513 176 K N -1.682 118.681 120.400 -0.063 0.000 2.607 176 K HA 0.310 4.630 4.320 -0.000 0.000 0.287 176 K C -0.842 175.694 176.600 -0.107 0.000 0.996 176 K CA -0.863 55.396 56.287 -0.048 0.000 0.876 176 K CB 1.346 33.811 32.500 -0.059 0.000 1.496 176 K HN -0.317 nan 8.250 nan 0.000 0.415 177 V N 3.140 123.040 119.914 -0.023 0.000 2.439 177 V HA 0.191 4.311 4.120 -0.000 0.000 0.271 177 V C -1.694 174.325 176.094 -0.125 0.000 1.040 177 V CA -1.009 61.282 62.300 -0.015 0.000 1.002 177 V CB 0.253 32.129 31.823 0.088 0.000 1.000 177 V HN 0.718 nan 8.190 nan 0.000 0.477 178 P HA 0.122 nan 4.420 nan 0.000 0.275 178 P C 0.536 177.764 177.300 -0.121 0.000 1.227 178 P CA -0.196 62.780 63.100 -0.206 0.000 0.781 178 P CB 1.390 32.910 31.700 -0.301 0.000 0.906 179 E N 2.118 122.262 120.200 -0.093 0.000 2.072 179 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 179 E C 0.247 176.807 176.600 -0.067 0.000 0.985 179 E CA 0.961 57.323 56.400 -0.063 0.000 0.801 179 E CB 0.208 29.878 29.700 -0.051 0.000 0.750 179 E HN 0.347 nan 8.360 nan 0.000 0.452 180 K N 0.348 120.698 120.400 -0.084 0.000 2.482 180 K HA 0.344 4.664 4.320 -0.000 0.000 0.251 180 K C -1.453 175.083 176.600 -0.107 0.000 0.936 180 K CA -0.531 55.706 56.287 -0.083 0.000 0.791 180 K CB 1.640 34.102 32.500 -0.064 0.000 1.213 180 K HN 0.026 nan 8.250 nan 0.000 0.428 181 M N 4.689 124.222 119.600 -0.111 0.000 2.386 181 M HA 0.441 4.921 4.480 -0.000 0.000 0.293 181 M C -1.804 174.438 176.300 -0.096 0.000 1.120 181 M CA -0.870 54.355 55.300 -0.125 0.000 0.909 181 M CB 1.985 34.488 32.600 -0.163 0.000 1.661 181 M HN 0.402 nan 8.290 nan 0.000 0.452 182 V N 4.698 124.564 119.914 -0.079 0.000 2.495 182 V HA 0.566 4.686 4.120 -0.000 0.000 0.298 182 V C -0.738 175.337 176.094 -0.031 0.000 1.031 182 V CA -0.666 61.605 62.300 -0.049 0.000 0.871 182 V CB 2.023 33.816 31.823 -0.049 0.000 0.988 182 V HN 0.694 nan 8.190 nan 0.000 0.432 183 V N 6.142 126.066 119.914 0.017 0.000 2.417 183 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 183 V C -0.068 176.067 176.094 0.067 0.000 1.024 183 V CA -0.468 61.866 62.300 0.056 0.000 0.861 183 V CB 1.752 33.658 31.823 0.138 0.000 0.985 183 V HN 0.659 nan 8.190 nan 0.000 0.436 184 I N 4.746 125.340 120.570 0.040 0.000 2.291 184 I HA 0.650 4.820 4.170 -0.000 0.000 0.292 184 I C 0.773 176.960 176.117 0.116 0.000 1.064 184 I CA 0.123 61.454 61.300 0.052 0.000 1.269 184 I CB 0.841 38.816 38.000 -0.042 0.000 1.418 184 I HN 0.888 nan 8.210 nan 0.000 0.485 185 G N 4.516 113.402 108.800 0.143 0.000 3.438 185 G HA2 0.127 4.087 3.960 -0.000 0.000 0.684 185 G HA3 0.127 4.087 3.960 -0.000 0.000 0.684 185 G C -0.344 174.651 174.900 0.159 0.000 1.192 185 G CA -0.356 44.833 45.100 0.148 0.000 1.013 185 G HN 0.867 nan 8.290 nan 0.000 0.530 186 A N 1.702 124.602 122.820 0.132 0.000 2.827 186 A HA 0.778 5.098 4.320 -0.000 0.000 0.300 186 A C 1.416 179.050 177.584 0.084 0.000 1.237 186 A CA 1.096 53.215 52.037 0.136 0.000 0.964 186 A CB -0.178 18.880 19.000 0.096 0.000 1.143 186 A HN 2.057 nan 8.150 nan 0.000 0.554 187 G N -1.030 107.838 108.800 0.113 0.000 2.516 187 G HA2 0.345 4.305 3.960 -0.000 0.000 0.276 187 G HA3 0.345 4.305 3.960 -0.000 0.000 0.276 187 G C 1.121 176.134 174.900 0.187 0.000 1.390 187 G CA 0.298 45.475 45.100 0.129 0.000 1.050 187 G HN 0.156 nan 8.290 nan 0.000 0.519 188 V N 0.118 120.156 119.914 0.208 0.000 2.255 188 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 188 V C 2.845 179.070 176.094 0.219 0.000 1.051 188 V CA 1.788 64.227 62.300 0.232 0.000 1.018 188 V CB -0.780 31.168 31.823 0.207 0.000 0.641 188 V HN 0.559 nan 8.190 nan 0.000 0.445 189 I N 0.754 121.433 120.570 0.182 0.000 2.127 189 I HA -0.193 3.977 4.170 -0.000 0.000 0.241 189 I C 2.647 178.880 176.117 0.192 0.000 1.075 189 I CA 1.873 63.274 61.300 0.168 0.000 1.334 189 I CB -1.032 37.048 38.000 0.134 0.000 1.040 189 I HN 0.422 nan 8.210 nan 0.000 0.405 190 G N 0.326 109.246 108.800 0.200 0.000 2.440 190 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 190 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 190 G C 1.702 176.803 174.900 0.336 0.000 1.154 190 G CA 0.890 46.131 45.100 0.235 0.000 0.767 190 G HN 0.257 nan 8.290 nan 0.000 0.552 191 V N 0.453 120.572 119.914 0.341 0.000 2.453 191 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 191 V C 2.649 179.022 176.094 0.465 0.000 1.048 191 V CA 2.012 64.577 62.300 0.442 0.000 1.049 191 V CB -0.325 31.684 31.823 0.311 0.000 0.672 191 V HN 0.457 nan 8.190 nan 0.000 0.457 192 E N 0.063 120.460 120.200 0.329 0.000 2.028 192 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 192 E C 2.264 178.970 176.600 0.178 0.000 0.988 192 E CA 1.223 57.775 56.400 0.253 0.000 0.799 192 E CB -0.161 29.666 29.700 0.211 0.000 0.755 192 E HN 0.477 nan 8.360 nan 0.000 0.447 193 L N 0.233 121.564 121.223 0.180 0.000 2.093 193 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 193 L C 2.579 179.552 176.870 0.171 0.000 1.085 193 L CA 1.140 56.076 54.840 0.160 0.000 0.755 193 L CB -0.684 41.498 42.059 0.205 0.000 0.904 193 L HN 0.249 nan 8.230 nan 0.000 0.435 194 G N -1.186 107.713 108.800 0.165 0.000 2.422 194 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.218 194 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.218 194 G C 1.818 176.485 174.900 -0.389 0.000 1.146 194 G CA 0.984 46.028 45.100 -0.093 0.000 0.769 194 G HN 0.318 nan 8.290 nan 0.000 0.547 195 S N -0.563 115.081 115.700 -0.093 0.000 2.368 195 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 195 S C 2.540 177.065 174.600 -0.125 0.000 1.029 195 S CA 1.212 59.365 58.200 -0.078 0.000 0.988 195 S CB -0.286 63.038 63.200 0.206 0.000 0.838 195 S HN 0.124 nan 8.310 nan 0.000 0.462 196 V N 0.379 120.207 119.914 -0.142 0.000 2.231 196 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 196 V C 1.987 177.830 176.094 -0.419 0.000 1.054 196 V CA 2.250 64.354 62.300 -0.325 0.000 1.015 196 V CB -0.865 30.652 31.823 -0.510 0.000 0.638 196 V HN 0.685 nan 8.190 nan 0.000 0.444 197 W N -0.760 120.460 121.300 -0.134 0.000 2.402 197 W HA -0.130 4.530 4.660 -0.000 0.000 0.286 197 W C 2.659 179.065 176.519 -0.188 0.000 1.221 197 W CA 1.063 58.314 57.345 -0.157 0.000 1.257 197 W CB -0.292 29.075 29.460 -0.154 0.000 1.120 197 W HN 0.185 nan 8.180 nan 0.000 0.551 198 Q N 1.272 121.021 119.800 -0.085 0.000 2.119 198 Q HA -0.170 4.170 4.340 -0.000 0.000 0.201 198 Q C 2.007 177.952 176.000 -0.091 0.000 0.972 198 Q CA 1.494 57.203 55.803 -0.157 0.000 0.847 198 Q CB -0.242 28.282 28.738 -0.356 0.000 0.903 198 Q HN 0.324 nan 8.270 nan 0.000 0.433 199 R N -0.173 120.267 120.500 -0.100 0.000 2.096 199 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 199 R C 2.359 178.693 176.300 0.055 0.000 1.127 199 R CA 1.081 57.156 56.100 -0.042 0.000 0.968 199 R CB -0.185 30.093 30.300 -0.036 0.000 0.861 199 R HN 0.258 nan 8.270 nan 0.000 0.440 200 L N -0.730 120.461 121.223 -0.052 0.000 2.610 200 L HA 0.079 4.419 4.340 -0.000 0.000 0.232 200 L C 1.205 178.049 176.870 -0.044 0.000 1.149 200 L CA 0.740 55.492 54.840 -0.146 0.000 0.872 200 L CB 0.118 42.045 42.059 -0.221 0.000 0.992 200 L HN 0.574 nan 8.230 nan 0.000 0.447 201 G N -0.884 107.925 108.800 0.014 0.000 2.260 201 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.179 201 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.179 201 G C 0.337 175.243 174.900 0.009 0.000 1.002 201 G CA -0.193 44.914 45.100 0.012 0.000 0.677 201 G HN 0.391 nan 8.290 nan 0.000 0.486 202 A N 0.466 123.299 122.820 0.020 0.000 2.371 202 A HA 0.528 4.848 4.320 -0.000 0.000 0.257 202 A C 0.088 177.639 177.584 -0.056 0.000 1.089 202 A CA 0.469 52.497 52.037 -0.014 0.000 0.794 202 A CB 0.498 19.501 19.000 0.005 0.000 1.029 202 A HN 0.329 nan 8.150 nan 0.000 0.488 203 D N 2.061 122.423 120.400 -0.064 0.000 2.365 203 D HA 0.386 5.026 4.640 -0.000 0.000 0.237 203 D C -0.793 175.443 176.300 -0.107 0.000 1.190 203 D CA 0.147 54.103 54.000 -0.072 0.000 0.867 203 D CB 0.646 41.416 40.800 -0.050 0.000 1.050 203 D HN 0.112 nan 8.370 nan 0.000 0.491 204 V N 3.464 123.281 119.914 -0.162 0.000 2.513 204 V HA 0.515 4.635 4.120 -0.000 0.000 0.299 204 V C 0.370 176.365 176.094 -0.165 0.000 1.035 204 V CA -0.625 61.539 62.300 -0.226 0.000 0.889 204 V CB 2.089 33.633 31.823 -0.465 0.000 0.988 204 V HN 0.546 nan 8.190 nan 0.000 0.440 205 T N 3.443 117.943 114.554 -0.091 0.000 2.928 205 T HA 0.685 5.035 4.350 -0.000 0.000 0.296 205 T C -0.299 174.421 174.700 0.034 0.000 1.000 205 T CA -0.295 61.785 62.100 -0.033 0.000 0.989 205 T CB 1.617 70.469 68.868 -0.027 0.000 1.005 205 T HN 0.958 nan 8.240 nan 0.000 0.442 206 A N 2.947 125.798 122.820 0.052 0.000 2.292 206 A HA 0.769 5.089 4.320 -0.000 0.000 0.319 206 A C -0.349 177.325 177.584 0.149 0.000 1.206 206 A CA -0.563 51.565 52.037 0.151 0.000 0.835 206 A CB 0.676 19.821 19.000 0.243 0.000 1.164 206 A HN 0.672 nan 8.150 nan 0.000 0.505 207 V N 2.597 122.588 119.914 0.130 0.000 2.384 207 V HA 0.487 4.607 4.120 -0.000 0.000 0.287 207 V C -0.292 175.888 176.094 0.143 0.000 1.020 207 V CA -0.327 62.044 62.300 0.119 0.000 0.850 207 V CB 1.219 33.090 31.823 0.080 0.000 0.987 207 V HN 0.993 nan 8.190 nan 0.000 0.436 208 E N 3.102 123.384 120.200 0.136 0.000 2.234 208 E HA 0.384 4.734 4.350 -0.000 0.000 0.266 208 E C -0.012 176.673 176.600 0.141 0.000 0.877 208 E CA -0.639 55.840 56.400 0.131 0.000 0.758 208 E CB 1.486 31.223 29.700 0.062 0.000 1.170 208 E HN 0.375 nan 8.360 nan 0.000 0.415 209 F N 3.951 123.927 119.950 0.043 0.000 2.075 209 F HA 0.052 4.579 4.527 -0.000 0.000 0.297 209 F C 0.356 176.164 175.800 0.014 0.000 1.113 209 F CA 0.929 58.952 58.000 0.038 0.000 1.218 209 F CB 0.055 39.082 39.000 0.045 0.000 0.984 209 F HN 0.464 nan 8.300 nan 0.000 0.472 210 L N -0.309 121.002 121.223 0.148 0.000 2.468 210 L HA 0.166 4.506 4.340 -0.000 0.000 0.253 210 L C 1.912 178.753 176.870 -0.048 0.000 1.237 210 L CA 0.942 55.805 54.840 0.038 0.000 0.823 210 L CB -0.354 41.713 42.059 0.013 0.000 1.124 210 L HN 0.136 nan 8.230 nan 0.000 0.504 211 G N -1.211 107.591 108.800 0.004 0.000 3.284 211 G HA2 0.120 4.080 3.960 -0.000 0.000 0.236 211 G HA3 0.120 4.080 3.960 -0.000 0.000 0.236 211 G C 0.106 175.027 174.900 0.033 0.000 1.158 211 G CA 0.198 45.297 45.100 -0.000 0.000 0.774 211 G HN 0.731 nan 8.290 nan 0.000 0.545 212 H N -1.885 117.140 119.070 -0.075 0.000 3.016 212 H HA 0.564 5.120 4.556 -0.000 0.000 0.362 212 H C -1.228 174.025 175.328 -0.125 0.000 1.233 212 H CA -0.863 55.116 56.048 -0.115 0.000 1.124 212 H CB 1.357 31.063 29.762 -0.093 0.000 1.850 212 H HN 0.139 nan 8.280 nan 0.000 0.549 213 V N -1.174 118.604 119.914 -0.227 0.000 2.713 213 V HA 0.745 4.865 4.120 -0.000 0.000 0.307 213 V C 0.974 177.075 176.094 0.012 0.000 1.052 213 V CA 0.390 62.532 62.300 -0.264 0.000 0.967 213 V CB 0.783 32.270 31.823 -0.561 0.000 1.019 213 V HN 1.437 nan 8.190 nan 0.000 0.459 214 G N 0.862 109.712 108.800 0.084 0.000 2.211 214 G HA2 0.338 4.298 3.960 -0.000 0.000 0.201 214 G HA3 0.338 4.298 3.960 -0.000 0.000 0.201 214 G C 1.498 176.555 174.900 0.261 0.000 0.997 214 G CA 0.325 45.576 45.100 0.252 0.000 0.652 214 G HN 2.950 nan 8.290 nan 0.000 0.500 215 G N -1.652 107.242 108.800 0.155 0.000 2.681 215 G HA2 0.207 4.167 3.960 -0.000 0.000 0.220 215 G HA3 0.207 4.167 3.960 -0.000 0.000 0.220 215 G C 0.380 175.478 174.900 0.330 0.000 1.353 215 G CA 0.389 45.610 45.100 0.202 0.000 0.872 215 G HN 1.828 nan 8.290 nan 0.000 0.557 216 V N 1.086 121.160 119.914 0.268 0.000 2.614 216 V HA 0.553 4.673 4.120 -0.000 0.000 0.291 216 V C 1.754 177.990 176.094 0.237 0.000 1.049 216 V CA 2.319 64.761 62.300 0.236 0.000 1.038 216 V CB 0.679 32.605 31.823 0.171 0.000 0.980 216 V HN 3.001 nan 8.190 nan 0.000 0.481 217 G N 5.032 113.905 108.800 0.121 0.000 2.241 217 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 217 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 217 G C 0.380 175.176 174.900 -0.172 0.000 0.998 217 G CA 0.224 45.385 45.100 0.102 0.000 0.621 217 G HN 1.100 nan 8.290 nan 0.000 0.519 218 I N 2.009 122.361 120.570 -0.362 0.000 2.692 218 I HA 0.361 4.531 4.170 -0.000 0.000 0.284 218 I C 0.555 176.271 176.117 -0.668 0.000 1.159 218 I CA -0.122 60.584 61.300 -0.990 0.000 1.423 218 I CB 0.559 38.113 38.000 -0.743 0.000 1.380 218 I HN 0.269 nan 8.210 nan 0.000 0.580 219 D N 6.197 126.155 120.400 -0.736 0.000 2.424 219 D HA -0.013 4.627 4.640 -0.000 0.000 0.244 219 D C 1.067 177.117 176.300 -0.418 0.000 1.134 219 D CA -0.189 53.462 54.000 -0.582 0.000 0.881 219 D CB 0.943 41.253 40.800 -0.817 0.000 1.191 219 D HN 0.432 nan 8.370 nan 0.000 0.445 220 M N 2.346 121.744 119.600 -0.337 0.000 2.117 220 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 220 M C 1.815 178.011 176.300 -0.173 0.000 1.065 220 M CA 1.430 56.580 55.300 -0.250 0.000 1.114 220 M CB -0.982 31.491 32.600 -0.212 0.000 1.361 220 M HN 0.707 nan 8.290 nan 0.000 0.408 221 E N 0.367 120.465 120.200 -0.171 0.000 2.110 221 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 221 E C 1.928 178.472 176.600 -0.094 0.000 0.988 221 E CA 0.945 57.278 56.400 -0.113 0.000 0.804 221 E CB 0.211 29.849 29.700 -0.103 0.000 0.745 221 E HN 0.289 nan 8.360 nan 0.000 0.458 222 I N 0.804 121.289 120.570 -0.141 0.000 2.202 222 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 222 I C 2.629 178.731 176.117 -0.026 0.000 1.091 222 I CA 1.067 62.311 61.300 -0.093 0.000 1.368 222 I CB -1.436 36.467 38.000 -0.162 0.000 1.058 222 I HN 0.176 nan 8.210 nan 0.000 0.410 223 S N 0.767 116.426 115.700 -0.067 0.000 2.359 223 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 223 S C 2.002 176.622 174.600 0.032 0.000 1.035 223 S CA 1.406 59.626 58.200 0.034 0.000 1.018 223 S CB -0.000 63.196 63.200 -0.006 0.000 0.876 223 S HN 0.261 nan 8.310 nan 0.000 0.448 224 K N 1.320 121.707 120.400 -0.023 0.000 2.148 224 K HA 0.099 4.419 4.320 -0.000 0.000 0.204 224 K C 1.820 178.416 176.600 -0.007 0.000 1.050 224 K CA 0.977 57.241 56.287 -0.038 0.000 0.942 224 K CB -0.891 31.583 32.500 -0.044 0.000 0.724 224 K HN 0.371 nan 8.250 nan 0.000 0.446 225 N N 0.663 119.381 118.700 0.030 0.000 2.216 225 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 225 N C 1.491 177.076 175.510 0.125 0.000 1.017 225 N CA 0.536 53.621 53.050 0.058 0.000 0.861 225 N CB -0.385 38.135 38.487 0.054 0.000 0.986 225 N HN 0.072 nan 8.380 nan 0.000 0.428 226 F N 2.123 122.047 119.950 -0.044 0.000 2.051 226 F HA -0.158 4.369 4.527 0.000 0.000 0.296 226 F C 2.451 178.217 175.800 -0.057 0.000 1.122 226 F CA 1.605 59.583 58.000 -0.036 0.000 1.201 226 F CB -0.920 38.055 39.000 -0.042 0.000 0.978 226 F HN 0.098 nan 8.300 nan 0.000 0.472 227 Q N 0.310 119.966 119.800 -0.240 0.000 2.112 227 Q HA -0.281 4.059 4.340 -0.000 0.000 0.206 227 Q C 2.589 178.482 176.000 -0.179 0.000 0.987 227 Q CA 2.061 57.600 55.803 -0.440 0.000 0.858 227 Q CB -0.404 28.060 28.738 -0.457 0.000 0.905 227 Q HN 0.452 nan 8.270 nan 0.000 0.420 228 R N 0.024 120.480 120.500 -0.074 0.000 2.083 228 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 228 R C 2.320 178.636 176.300 0.026 0.000 1.137 228 R CA 1.736 57.833 56.100 -0.006 0.000 0.951 228 R CB -0.314 29.993 30.300 0.012 0.000 0.851 228 R HN 0.383 nan 8.270 nan 0.000 0.434 229 I N 0.827 121.421 120.570 0.040 0.000 2.226 229 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 229 I C 2.215 178.374 176.117 0.070 0.000 1.100 229 I CA 1.160 62.506 61.300 0.077 0.000 1.374 229 I CB -0.185 37.895 38.000 0.133 0.000 1.057 229 I HN 0.233 nan 8.210 nan 0.000 0.413 230 L N -0.078 121.146 121.223 0.002 0.000 2.131 230 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 230 L C 2.542 179.504 176.870 0.153 0.000 1.092 230 L CA 1.332 56.205 54.840 0.055 0.000 0.759 230 L CB -0.523 41.476 42.059 -0.099 0.000 0.903 230 L HN 0.347 nan 8.230 nan 0.000 0.435 231 Q N -0.228 119.652 119.800 0.133 0.000 2.123 231 Q HA -0.167 4.173 4.340 -0.000 0.000 0.199 231 Q C 2.143 178.205 176.000 0.103 0.000 0.966 231 Q CA 1.063 56.951 55.803 0.142 0.000 0.845 231 Q CB 0.077 28.895 28.738 0.132 0.000 0.907 231 Q HN 0.392 nan 8.270 nan 0.000 0.439 232 K N 0.506 120.960 120.400 0.090 0.000 2.209 232 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 232 K C 1.846 178.499 176.600 0.089 0.000 1.048 232 K CA 0.991 57.327 56.287 0.083 0.000 0.940 232 K CB 0.111 32.659 32.500 0.081 0.000 0.729 232 K HN 0.288 nan 8.250 nan 0.000 0.451 233 Q N -1.069 118.788 119.800 0.095 0.000 2.378 233 Q HA 0.008 4.348 4.340 -0.000 0.000 0.205 233 Q C 1.034 177.068 176.000 0.056 0.000 0.954 233 Q CA 0.833 56.679 55.803 0.073 0.000 0.901 233 Q CB 0.633 29.405 28.738 0.058 0.000 0.981 233 Q HN 0.522 nan 8.270 nan 0.000 0.483 234 G N 0.381 109.228 108.800 0.078 0.000 2.205 234 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.180 234 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.180 234 G C -0.311 174.623 174.900 0.058 0.000 1.004 234 G CA -0.569 44.562 45.100 0.052 0.000 0.670 234 G HN 0.273 nan 8.290 nan 0.000 0.496 235 F N 3.302 123.192 119.950 -0.102 0.000 2.506 235 F HA 0.593 5.120 4.527 0.000 0.000 0.371 235 F C 0.737 176.321 175.800 -0.359 0.000 1.078 235 F CA -0.681 57.174 58.000 -0.242 0.000 1.195 235 F CB 0.483 39.349 39.000 -0.223 0.000 1.099 235 F HN 0.048 nan 8.300 nan 0.000 0.548 236 K N 5.632 126.041 120.400 0.016 0.000 2.123 236 K HA 0.548 4.868 4.320 -0.000 0.000 0.259 236 K C -1.440 174.892 176.600 -0.447 0.000 0.960 236 K CA -0.490 55.718 56.287 -0.132 0.000 0.872 236 K CB 1.429 33.906 32.500 -0.039 0.000 1.079 236 K HN 0.359 nan 8.250 nan 0.000 0.440 237 F N 1.064 121.029 119.950 0.025 0.000 2.556 237 F HA 0.369 4.896 4.527 0.000 0.000 0.314 237 F C -0.162 175.630 175.800 -0.014 0.000 1.106 237 F CA -0.836 57.147 58.000 -0.028 0.000 0.911 237 F CB 1.961 40.886 39.000 -0.126 0.000 1.190 237 F HN 0.137 nan 8.300 nan 0.000 0.448 238 K N 4.795 125.306 120.400 0.184 0.000 2.473 238 K HA 0.523 4.843 4.320 -0.000 0.000 0.246 238 K C -0.995 175.659 176.600 0.091 0.000 1.011 238 K CA -0.295 56.054 56.287 0.104 0.000 0.984 238 K CB 1.167 33.708 32.500 0.068 0.000 1.250 238 K HN 0.517 nan 8.250 nan 0.000 0.454 239 L N 1.735 122.991 121.223 0.054 0.000 2.416 239 L HA 0.288 4.628 4.340 -0.000 0.000 0.262 239 L C 0.602 177.447 176.870 -0.041 0.000 1.093 239 L CA -0.800 54.041 54.840 0.001 0.000 0.801 239 L CB 0.485 42.522 42.059 -0.038 0.000 1.191 239 L HN 0.684 nan 8.230 nan 0.000 0.459 240 N N 0.017 118.659 118.700 -0.096 0.000 2.735 240 N HA -0.146 4.594 4.740 -0.000 0.000 0.248 240 N C -0.676 174.720 175.510 -0.190 0.000 1.083 240 N CA 0.904 53.833 53.050 -0.202 0.000 0.703 240 N CB -1.228 37.170 38.487 -0.149 0.000 1.005 240 N HN 0.702 nan 8.380 nan 0.000 0.550 241 T N 0.268 114.760 114.554 -0.102 0.000 2.893 241 T HA 0.502 4.851 4.350 -0.000 0.000 0.293 241 T C 0.287 175.062 174.700 0.124 0.000 1.027 241 T CA -0.917 61.179 62.100 -0.007 0.000 0.988 241 T CB 2.616 71.505 68.868 0.035 0.000 1.043 241 T HN 0.258 nan 8.240 nan 0.000 0.461 242 K N 0.494 121.007 120.400 0.188 0.000 2.267 242 K HA 0.813 5.133 4.320 -0.000 0.000 0.246 242 K C -1.236 175.509 176.600 0.241 0.000 0.954 242 K CA -0.937 55.558 56.287 0.348 0.000 0.824 242 K CB 1.562 34.337 32.500 0.459 0.000 1.167 242 K HN 0.255 nan 8.250 nan 0.000 0.431 243 V N 2.506 122.597 119.914 0.295 0.000 2.370 243 V HA 0.103 4.223 4.120 -0.000 0.000 0.279 243 V C 1.054 177.319 176.094 0.285 0.000 1.029 243 V CA -0.322 62.099 62.300 0.200 0.000 0.870 243 V CB 1.104 32.936 31.823 0.016 0.000 0.984 243 V HN 1.113 nan 8.190 nan 0.000 0.451 244 T N 0.795 115.450 114.554 0.169 0.000 3.065 244 T HA 0.465 4.815 4.350 -0.000 0.000 0.252 244 T C 0.696 175.481 174.700 0.143 0.000 1.099 244 T CA 0.470 62.667 62.100 0.161 0.000 1.063 244 T CB 0.397 69.328 68.868 0.104 0.000 0.948 244 T HN 1.164 nan 8.240 nan 0.000 0.506 245 G N -0.266 108.586 108.800 0.086 0.000 2.325 245 G HA2 0.577 4.537 3.960 -0.000 0.000 0.297 245 G HA3 0.577 4.537 3.960 -0.000 0.000 0.297 245 G C -2.009 172.877 174.900 -0.025 0.000 1.448 245 G CA -0.429 44.699 45.100 0.046 0.000 0.838 245 G HN 0.781 nan 8.290 nan 0.000 0.579 246 A N -0.315 122.485 122.820 -0.033 0.000 2.517 246 A HA 1.012 5.332 4.320 -0.000 0.000 0.297 246 A C -0.239 177.327 177.584 -0.030 0.000 1.050 246 A CA 0.209 52.215 52.037 -0.052 0.000 0.694 246 A CB 1.826 20.765 19.000 -0.101 0.000 1.277 246 A HN 2.227 nan 8.150 nan 0.000 0.400 247 T N -0.515 114.023 114.554 -0.028 0.000 2.912 247 T HA 0.637 4.987 4.350 -0.000 0.000 0.299 247 T C -0.648 174.037 174.700 -0.025 0.000 1.052 247 T CA -0.851 61.237 62.100 -0.020 0.000 0.996 247 T CB 1.312 70.173 68.868 -0.011 0.000 1.070 247 T HN 0.607 nan 8.240 nan 0.000 0.465 248 K N 1.962 122.348 120.400 -0.023 0.000 2.350 248 K HA 0.365 4.685 4.320 -0.000 0.000 0.279 248 K C 0.257 176.844 176.600 -0.022 0.000 1.027 248 K CA -0.477 55.795 56.287 -0.026 0.000 0.969 248 K CB 0.769 33.255 32.500 -0.024 0.000 0.954 248 K HN 0.490 nan 8.250 nan 0.000 0.474 249 K N 0.271 120.657 120.400 -0.024 0.000 2.245 249 K HA 0.127 4.447 4.320 -0.000 0.000 0.234 249 K C 1.343 177.931 176.600 -0.020 0.000 1.021 249 K CA -0.444 55.830 56.287 -0.021 0.000 0.898 249 K CB 1.399 33.886 32.500 -0.022 0.000 1.163 249 K HN 0.645 nan 8.250 nan 0.000 0.459 250 S N 0.330 116.020 115.700 -0.017 0.000 2.383 250 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 250 S C 1.066 175.655 174.600 -0.018 0.000 1.030 250 S CA 1.819 60.010 58.200 -0.015 0.000 1.002 250 S CB -0.468 62.724 63.200 -0.013 0.000 0.829 250 S HN 0.774 nan 8.310 nan 0.000 0.467 251 D N 0.371 120.759 120.400 -0.020 0.000 2.370 251 D HA 0.335 4.975 4.640 -0.000 0.000 0.230 251 D C 1.297 177.581 176.300 -0.028 0.000 1.143 251 D CA 0.335 54.322 54.000 -0.022 0.000 0.834 251 D CB -0.575 40.212 40.800 -0.022 0.000 0.944 251 D HN 0.561 nan 8.370 nan 0.000 0.504 252 G N 0.193 108.976 108.800 -0.029 0.000 2.212 252 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.266 252 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.266 252 G C 0.484 175.359 174.900 -0.042 0.000 0.978 252 G CA 0.517 45.597 45.100 -0.035 0.000 0.632 252 G HN 0.498 nan 8.290 nan 0.000 0.537 253 K N -0.319 120.057 120.400 -0.040 0.000 2.136 253 K HA 0.649 4.969 4.320 -0.000 0.000 0.237 253 K C 0.313 176.886 176.600 -0.045 0.000 1.048 253 K CA -0.042 56.217 56.287 -0.046 0.000 0.880 253 K CB 0.635 33.110 32.500 -0.041 0.000 1.105 253 K HN 0.266 nan 8.250 nan 0.000 0.507 254 I N 1.002 121.543 120.570 -0.050 0.000 2.466 254 I HA 0.134 4.304 4.170 -0.000 0.000 0.289 254 I C -1.103 174.987 176.117 -0.045 0.000 1.026 254 I CA -0.833 60.437 61.300 -0.049 0.000 1.078 254 I CB 2.044 40.007 38.000 -0.061 0.000 1.249 254 I HN 0.387 nan 8.210 nan 0.000 0.429 255 D N 5.584 125.962 120.400 -0.037 0.000 2.274 255 D HA 0.388 5.028 4.640 -0.000 0.000 0.239 255 D C -0.633 175.646 176.300 -0.036 0.000 1.104 255 D CA 0.019 54.001 54.000 -0.031 0.000 0.840 255 D CB 2.017 42.804 40.800 -0.021 0.000 1.100 255 D HN 0.024 nan 8.370 nan 0.000 0.477 256 V N 2.375 122.266 119.914 -0.038 0.000 2.384 256 V HA 0.340 4.460 4.120 -0.000 0.000 0.287 256 V C 0.237 176.317 176.094 -0.023 0.000 1.020 256 V CA -0.726 61.547 62.300 -0.045 0.000 0.850 256 V CB 1.692 33.479 31.823 -0.061 0.000 0.987 256 V HN 0.427 nan 8.190 nan 0.000 0.436 257 S N 6.308 122.001 115.700 -0.012 0.000 2.499 257 S HA 0.759 5.229 4.470 -0.000 0.000 0.279 257 S C -0.157 174.459 174.600 0.027 0.000 1.219 257 S CA -0.384 57.822 58.200 0.011 0.000 1.062 257 S CB 0.671 63.884 63.200 0.021 0.000 0.978 257 S HN 0.706 nan 8.310 nan 0.000 0.489 258 I N 0.153 120.743 120.570 0.033 0.000 3.174 258 I HA 0.892 5.062 4.170 -0.000 0.000 0.313 258 I C -1.079 175.067 176.117 0.048 0.000 1.155 258 I CA -1.174 60.157 61.300 0.051 0.000 0.977 258 I CB 2.490 40.515 38.000 0.042 0.000 1.248 258 I HN 0.692 nan 8.210 nan 0.000 0.453 259 E N 1.950 122.184 120.200 0.057 0.000 2.409 259 E HA 0.595 4.945 4.350 -0.000 0.000 0.280 259 E C -1.322 175.298 176.600 0.034 0.000 1.079 259 E CA -1.230 55.195 56.400 0.042 0.000 0.840 259 E CB 1.278 31.006 29.700 0.046 0.000 1.309 259 E HN 0.966 nan 8.360 nan 0.000 0.447 260 A N 0.840 123.666 122.820 0.009 0.000 2.586 260 A HA 0.351 4.671 4.320 -0.000 0.000 0.231 260 A C 1.384 178.945 177.584 -0.039 0.000 1.055 260 A CA 0.662 52.683 52.037 -0.027 0.000 0.756 260 A CB 0.080 19.062 19.000 -0.030 0.000 0.988 260 A HN 0.956 nan 8.150 nan 0.000 0.509 261 A N 1.903 124.629 122.820 -0.156 0.000 1.948 261 A HA 0.064 4.384 4.320 -0.000 0.000 0.220 261 A C 1.420 178.957 177.584 -0.079 0.000 1.177 261 A CA 1.963 53.830 52.037 -0.284 0.000 0.636 261 A CB -0.614 17.776 19.000 -1.017 0.000 0.815 261 A HN 1.945 nan 8.150 nan 0.000 0.449 262 S N -1.841 113.808 115.700 -0.084 0.000 2.653 262 S HA 0.637 5.107 4.470 -0.000 0.000 0.272 262 S C -0.036 174.558 174.600 -0.010 0.000 1.221 262 S CA 0.228 58.419 58.200 -0.015 0.000 1.149 262 S CB 0.512 63.697 63.200 -0.026 0.000 1.029 262 S HN 1.881 nan 8.310 nan 0.000 0.481 263 G N 1.788 110.595 108.800 0.012 0.000 2.291 263 G HA2 0.450 4.410 3.960 -0.000 0.000 0.249 263 G HA3 0.450 4.410 3.960 -0.000 0.000 0.249 263 G C -0.025 174.885 174.900 0.018 0.000 1.340 263 G CA -0.063 45.042 45.100 0.010 0.000 1.017 263 G HN 1.152 nan 8.290 nan 0.000 0.470 264 G N -1.083 107.725 108.800 0.013 0.000 2.930 264 G HA2 0.510 4.470 3.960 -0.000 0.000 0.209 264 G HA3 0.510 4.470 3.960 -0.000 0.000 0.209 264 G C 0.676 175.585 174.900 0.015 0.000 2.018 264 G CA 0.980 46.090 45.100 0.017 0.000 0.751 264 G HN 1.587 nan 8.290 nan 0.000 0.770 265 K N 0.009 120.416 120.400 0.011 0.000 3.077 265 K HA -0.119 4.201 4.320 -0.000 0.000 0.264 265 K C 0.416 177.025 176.600 0.015 0.000 1.008 265 K CA 0.071 56.364 56.287 0.010 0.000 0.740 265 K CB -1.576 30.927 32.500 0.006 0.000 1.273 265 K HN 0.748 nan 8.250 nan 0.000 0.477 266 A N 1.352 124.183 122.820 0.018 0.000 2.498 266 A HA 0.280 4.600 4.320 -0.000 0.000 0.239 266 A C 0.212 177.806 177.584 0.017 0.000 1.068 266 A CA 0.709 52.759 52.037 0.022 0.000 0.766 266 A CB 0.415 19.428 19.000 0.022 0.000 1.003 266 A HN 0.547 nan 8.150 nan 0.000 0.497 267 E N 0.867 121.077 120.200 0.018 0.000 2.416 267 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 267 E C -2.065 174.542 176.600 0.011 0.000 1.055 267 E CA -0.628 55.780 56.400 0.013 0.000 0.825 267 E CB 1.929 31.636 29.700 0.012 0.000 1.312 267 E HN 0.464 nan 8.360 nan 0.000 0.452 268 V N 3.420 123.337 119.914 0.005 0.000 2.656 268 V HA 0.531 4.651 4.120 -0.000 0.000 0.307 268 V C -0.262 175.829 176.094 -0.005 0.000 1.051 268 V CA -0.660 61.640 62.300 -0.000 0.000 0.893 268 V CB 1.515 33.337 31.823 -0.002 0.000 0.999 268 V HN 0.545 nan 8.190 nan 0.000 0.426 269 I N 0.890 121.454 120.570 -0.011 0.000 2.498 269 I HA 0.742 4.912 4.170 -0.000 0.000 0.290 269 I C -0.374 175.728 176.117 -0.025 0.000 1.032 269 I CA -0.318 60.972 61.300 -0.016 0.000 1.073 269 I CB 2.356 40.347 38.000 -0.015 0.000 1.251 269 I HN 0.431 nan 8.210 nan 0.000 0.426 270 T N 5.089 119.627 114.554 -0.027 0.000 2.867 270 T HA 0.632 4.982 4.350 -0.000 0.000 0.282 270 T C -0.205 174.469 174.700 -0.043 0.000 1.000 270 T CA -0.417 61.663 62.100 -0.034 0.000 1.042 270 T CB 1.282 70.132 68.868 -0.029 0.000 0.973 270 T HN 0.933 nan 8.240 nan 0.000 0.465 271 C N 0.896 120.165 119.300 -0.053 0.000 3.291 271 C HA 0.609 5.069 4.460 -0.000 0.000 0.316 271 C C 0.677 175.623 174.990 -0.074 0.000 1.391 271 C CA -0.791 58.187 59.018 -0.066 0.000 1.394 271 C CB 1.127 28.822 27.740 -0.074 0.000 1.744 271 C HN 0.840 nan 8.230 nan 0.000 0.461 272 D N 0.066 120.412 120.400 -0.090 0.000 2.301 272 D HA 0.145 4.785 4.640 -0.000 0.000 0.206 272 D C 0.143 176.371 176.300 -0.119 0.000 0.979 272 D CA 1.295 55.236 54.000 -0.098 0.000 0.874 272 D CB 0.828 41.565 40.800 -0.106 0.000 0.968 272 D HN 0.431 nan 8.370 nan 0.000 0.510 273 V N 1.626 121.457 119.914 -0.140 0.000 2.760 273 V HA 0.293 4.413 4.120 -0.000 0.000 0.309 273 V C -1.057 174.956 176.094 -0.135 0.000 1.077 273 V CA -0.919 61.286 62.300 -0.159 0.000 0.910 273 V CB 2.923 34.601 31.823 -0.241 0.000 1.008 273 V HN -0.061 nan 8.190 nan 0.000 0.424 274 L N 5.659 126.812 121.223 -0.117 0.000 2.319 274 L HA 0.700 5.040 4.340 -0.000 0.000 0.281 274 L C -0.995 175.823 176.870 -0.088 0.000 1.005 274 L CA -0.400 54.379 54.840 -0.100 0.000 0.828 274 L CB 1.394 43.392 42.059 -0.101 0.000 1.227 274 L HN 0.645 nan 8.230 nan 0.000 0.415 275 L N 6.794 127.976 121.223 -0.067 0.000 2.264 275 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 275 L C -1.000 175.863 176.870 -0.012 0.000 1.044 275 L CA -0.110 54.712 54.840 -0.030 0.000 0.807 275 L CB 1.482 43.541 42.059 0.001 0.000 1.192 275 L HN 0.393 nan 8.230 nan 0.000 0.425 276 V N 5.397 125.310 119.914 -0.001 0.000 2.294 276 V HA 0.297 4.417 4.120 -0.000 0.000 0.272 276 V C -0.148 175.989 176.094 0.071 0.000 1.027 276 V CA -0.390 61.921 62.300 0.019 0.000 0.823 276 V CB 0.546 32.379 31.823 0.016 0.000 1.030 276 V HN 0.984 nan 8.190 nan 0.000 0.457 277 C N 4.113 123.470 119.300 0.095 0.000 3.418 277 C HA 0.501 4.961 4.460 -0.000 0.000 0.238 277 C C 1.228 176.294 174.990 0.128 0.000 1.205 277 C CA -0.832 58.252 59.018 0.109 0.000 1.376 277 C CB -1.113 26.692 27.740 0.109 0.000 1.826 277 C HN 0.844 nan 8.230 nan 0.000 0.513 278 I N 0.020 120.679 120.570 0.147 0.000 3.030 278 I HA 0.573 4.743 4.170 -0.000 0.000 0.270 278 I C 0.892 177.072 176.117 0.105 0.000 1.211 278 I CA 0.913 62.302 61.300 0.148 0.000 1.479 278 I CB -0.025 38.090 38.000 0.192 0.000 1.105 278 I HN 0.743 nan 8.210 nan 0.000 0.447 279 G N 0.958 109.816 108.800 0.097 0.000 2.315 279 G HA2 0.457 4.417 3.960 -0.000 0.000 0.294 279 G HA3 0.457 4.417 3.960 -0.000 0.000 0.294 279 G C -1.507 173.437 174.900 0.073 0.000 1.300 279 G CA -1.047 44.101 45.100 0.079 0.000 0.843 279 G HN 0.148 nan 8.290 nan 0.000 0.527 280 R N -0.656 119.884 120.500 0.066 0.000 2.837 280 R HA 0.788 5.128 4.340 -0.000 0.000 0.271 280 R C -0.311 176.026 176.300 0.062 0.000 0.993 280 R CA -1.027 55.111 56.100 0.064 0.000 0.931 280 R CB 2.658 32.994 30.300 0.060 0.000 1.206 280 R HN 0.858 nan 8.270 nan 0.000 0.474 281 R N 0.290 120.834 120.500 0.074 0.000 2.774 281 R HA 0.520 4.860 4.340 -0.000 0.000 0.272 281 R C -2.965 173.398 176.300 0.105 0.000 1.000 281 R CA -2.159 53.987 56.100 0.076 0.000 0.906 281 R CB 1.908 32.250 30.300 0.071 0.000 1.227 281 R HN 0.303 nan 8.270 nan 0.000 0.468 282 P HA -0.031 nan 4.420 nan 0.000 0.266 282 P C -1.194 176.205 177.300 0.166 0.000 1.195 282 P CA 0.129 63.294 63.100 0.109 0.000 0.768 282 P CB 0.345 32.082 31.700 0.062 0.000 0.838 283 F N 3.399 123.362 119.950 0.023 0.000 2.426 283 F HA 0.384 4.911 4.527 -0.000 0.000 0.348 283 F C 0.662 176.480 175.800 0.030 0.000 1.124 283 F CA -0.078 57.940 58.000 0.029 0.000 1.008 283 F CB 1.410 40.425 39.000 0.026 0.000 1.139 283 F HN 0.330 nan 8.300 nan 0.000 0.452 284 T N 0.969 115.233 114.554 -0.482 0.000 3.130 284 T HA 0.151 4.501 4.350 -0.000 0.000 0.288 284 T C 0.388 174.850 174.700 -0.397 0.000 0.936 284 T CA -0.524 61.383 62.100 -0.321 0.000 0.897 284 T CB -0.304 68.482 68.868 -0.137 0.000 1.178 284 T HN 0.520 nan 8.240 nan 0.000 0.543 285 K N 2.731 122.687 120.400 -0.740 0.000 2.511 285 K HA -0.097 4.223 4.320 -0.000 0.000 0.277 285 K C -0.065 176.483 176.600 -0.087 0.000 1.025 285 K CA 0.623 56.659 56.287 -0.417 0.000 1.112 285 K CB -0.117 32.083 32.500 -0.501 0.000 0.859 285 K HN 0.242 nan 8.250 nan 0.000 0.485 286 N N 2.217 120.893 118.700 -0.040 0.000 2.708 286 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 286 N C 0.267 175.847 175.510 0.118 0.000 1.097 286 N CA 0.883 53.944 53.050 0.019 0.000 0.710 286 N CB -0.935 37.510 38.487 -0.070 0.000 1.032 286 N HN 0.530 nan 8.380 nan 0.000 0.551 287 L N -0.509 120.753 121.223 0.065 0.000 2.341 287 L HA 0.208 4.548 4.340 -0.000 0.000 0.214 287 L C 1.695 178.594 176.870 0.048 0.000 1.115 287 L CA 2.114 56.998 54.840 0.073 0.000 0.820 287 L CB -0.266 41.804 42.059 0.019 0.000 0.944 287 L HN 0.531 nan 8.230 nan 0.000 0.452 288 G N -1.801 107.012 108.800 0.021 0.000 2.144 288 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 288 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 288 G C 0.973 175.874 174.900 0.002 0.000 0.988 288 G CA 0.375 45.482 45.100 0.012 0.000 0.659 288 G HN 0.320 nan 8.290 nan 0.000 0.522 289 L N -0.259 120.961 121.223 -0.005 0.000 2.046 289 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 289 L C 2.617 179.479 176.870 -0.013 0.000 1.077 289 L CA 2.193 57.028 54.840 -0.010 0.000 0.747 289 L CB -0.467 41.582 42.059 -0.016 0.000 0.896 289 L HN 0.450 nan 8.230 nan 0.000 0.432 290 E N 1.395 121.585 120.200 -0.016 0.000 2.026 290 E HA -0.286 4.064 4.350 -0.000 0.000 0.206 290 E C 1.721 178.313 176.600 -0.013 0.000 1.028 290 E CA 2.018 58.408 56.400 -0.016 0.000 0.845 290 E CB -0.095 29.594 29.700 -0.018 0.000 0.772 290 E HN 0.412 nan 8.360 nan 0.000 0.462 291 E N -0.513 119.681 120.200 -0.010 0.000 2.510 291 E HA -0.060 4.290 4.350 -0.000 0.000 0.202 291 E C 1.334 177.930 176.600 -0.007 0.000 1.072 291 E CA 0.443 56.838 56.400 -0.008 0.000 0.883 291 E CB -0.009 29.688 29.700 -0.005 0.000 0.818 291 E HN 0.356 nan 8.360 nan 0.000 0.548 292 L N -1.704 119.514 121.223 -0.008 0.000 2.672 292 L HA 0.276 4.616 4.340 -0.000 0.000 0.236 292 L C 1.309 178.172 176.870 -0.012 0.000 1.092 292 L CA 0.274 55.109 54.840 -0.009 0.000 0.887 292 L CB 0.587 42.642 42.059 -0.007 0.000 1.168 292 L HN 0.319 nan 8.230 nan 0.000 0.502 293 G N 1.052 109.844 108.800 -0.013 0.000 2.141 293 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 293 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 293 G C 0.191 175.080 174.900 -0.018 0.000 0.982 293 G CA -0.293 44.798 45.100 -0.016 0.000 0.662 293 G HN 0.224 nan 8.290 nan 0.000 0.527 294 I N 1.873 122.432 120.570 -0.018 0.000 2.308 294 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 294 I C 0.430 176.536 176.117 -0.018 0.000 1.078 294 I CA -0.189 61.099 61.300 -0.019 0.000 1.292 294 I CB 0.578 38.568 38.000 -0.017 0.000 1.423 294 I HN 0.170 nan 8.210 nan 0.000 0.493 295 E N 6.881 127.069 120.200 -0.019 0.000 2.249 295 E HA 0.432 4.782 4.350 -0.000 0.000 0.280 295 E C -0.711 175.878 176.600 -0.018 0.000 1.016 295 E CA -0.683 55.706 56.400 -0.019 0.000 0.830 295 E CB 1.711 31.400 29.700 -0.018 0.000 1.081 295 E HN 0.476 nan 8.360 nan 0.000 0.395 296 L N 2.996 124.208 121.223 -0.018 0.000 2.418 296 L HA 0.136 4.476 4.340 -0.000 0.000 0.265 296 L C 0.699 177.560 176.870 -0.015 0.000 1.143 296 L CA -0.740 54.091 54.840 -0.016 0.000 0.809 296 L CB 0.264 42.312 42.059 -0.018 0.000 1.124 296 L HN 0.652 nan 8.230 nan 0.000 0.456 297 D N 1.888 122.280 120.400 -0.013 0.000 2.393 297 D HA 0.108 4.748 4.640 -0.000 0.000 0.246 297 D C -1.965 174.328 176.300 -0.013 0.000 1.275 297 D CA -1.738 52.253 54.000 -0.014 0.000 0.979 297 D CB -0.018 40.773 40.800 -0.015 0.000 1.101 297 D HN 0.165 nan 8.370 nan 0.000 0.505 298 P HA -0.130 nan 4.420 nan 0.000 0.216 298 P C 0.764 178.057 177.300 -0.012 0.000 1.153 298 P CA 1.608 64.701 63.100 -0.013 0.000 0.858 298 P CB 0.005 31.697 31.700 -0.013 0.000 0.789 299 R N -1.345 119.150 120.500 -0.009 0.000 2.449 299 R HA 0.400 4.740 4.340 -0.000 0.000 0.262 299 R C 1.016 177.317 176.300 0.001 0.000 1.006 299 R CA 0.620 56.717 56.100 -0.005 0.000 1.104 299 R CB -0.887 29.412 30.300 -0.002 0.000 1.206 299 R HN 0.114 nan 8.270 nan 0.000 0.538 300 G N 1.697 110.495 108.800 -0.003 0.000 2.159 300 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.256 300 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.256 300 G C 0.057 174.958 174.900 0.002 0.000 0.977 300 G CA 0.010 45.109 45.100 -0.002 0.000 0.652 300 G HN 0.404 nan 8.290 nan 0.000 0.531 301 R N -0.395 120.107 120.500 0.004 0.000 2.560 301 R HA 0.631 4.971 4.340 -0.000 0.000 0.270 301 R C 0.640 176.944 176.300 0.006 0.000 1.074 301 R CA -0.612 55.494 56.100 0.011 0.000 1.140 301 R CB 0.911 31.216 30.300 0.010 0.000 1.073 301 R HN 0.267 nan 8.270 nan 0.000 0.527 302 I N 4.216 124.795 120.570 0.016 0.000 2.352 302 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 302 I C -1.775 174.350 176.117 0.012 0.000 1.036 302 I CA -2.062 59.246 61.300 0.013 0.000 1.336 302 I CB 1.102 39.117 38.000 0.026 0.000 1.407 302 I HN 0.285 nan 8.210 nan 0.000 0.497 303 P HA 0.228 nan 4.420 nan 0.000 0.280 303 P C -0.836 176.452 177.300 -0.019 0.000 1.244 303 P CA -0.097 62.993 63.100 -0.016 0.000 0.784 303 P CB 1.563 33.248 31.700 -0.025 0.000 0.913 304 V N 0.075 119.971 119.914 -0.030 0.000 3.159 304 V HA 0.616 4.736 4.120 -0.000 0.000 0.308 304 V C -0.277 175.750 176.094 -0.111 0.000 1.190 304 V CA -1.147 61.123 62.300 -0.050 0.000 1.037 304 V CB 1.748 33.582 31.823 0.019 0.000 1.060 304 V HN 0.624 nan 8.190 nan 0.000 0.437 305 N N 0.061 118.677 118.700 -0.141 0.000 2.514 305 N HA 0.291 5.031 4.740 -0.000 0.000 0.299 305 N C 1.108 176.444 175.510 -0.290 0.000 1.292 305 N CA 0.281 53.234 53.050 -0.162 0.000 0.963 305 N CB -0.299 38.119 38.487 -0.115 0.000 1.124 305 N HN 0.972 nan 8.380 nan 0.000 0.580 306 T N -3.473 110.939 114.554 -0.237 0.000 3.051 306 T HA 0.012 4.362 4.350 -0.000 0.000 0.269 306 T C 1.040 175.529 174.700 -0.351 0.000 1.127 306 T CA 0.741 62.654 62.100 -0.311 0.000 1.107 306 T CB -0.304 68.493 68.868 -0.118 0.000 0.898 306 T HN 0.482 nan 8.240 nan 0.000 0.517 307 R N -0.295 120.093 120.500 -0.187 0.000 2.427 307 R HA 0.371 4.711 4.340 -0.000 0.000 0.262 307 R C -0.244 176.202 176.300 0.244 0.000 0.943 307 R CA -0.290 55.845 56.100 0.057 0.000 1.081 307 R CB -0.246 30.137 30.300 0.138 0.000 1.166 307 R HN 0.332 nan 8.270 nan 0.000 0.534 308 F N 0.001 120.038 119.950 0.145 0.000 2.953 308 F HA -0.296 4.231 4.527 -0.000 0.000 0.292 308 F C 0.027 175.897 175.800 0.115 0.000 0.747 308 F CA 0.647 58.745 58.000 0.163 0.000 1.222 308 F CB -2.022 37.100 39.000 0.204 0.000 1.457 308 F HN 0.172 nan 8.300 nan 0.000 0.383 309 Q N 0.339 120.113 119.800 -0.043 0.000 2.293 309 Q HA 0.470 4.810 4.340 -0.000 0.000 0.251 309 Q C 1.005 176.893 176.000 -0.187 0.000 0.930 309 Q CA 0.236 55.817 55.803 -0.371 0.000 0.893 309 Q CB 1.371 29.846 28.738 -0.438 0.000 1.215 309 Q HN 0.380 nan 8.270 nan 0.000 0.425 310 T N -1.241 113.203 114.554 -0.183 0.000 2.833 310 T HA 0.184 4.534 4.350 -0.000 0.000 0.292 310 T C 1.045 175.679 174.700 -0.110 0.000 1.031 310 T CA -0.789 61.252 62.100 -0.097 0.000 0.937 310 T CB 0.547 69.378 68.868 -0.062 0.000 1.256 310 T HN 0.353 nan 8.240 nan 0.000 0.551 311 K N -0.166 120.189 120.400 -0.074 0.000 2.280 311 K HA 0.140 4.460 4.320 -0.000 0.000 0.202 311 K C 0.597 177.153 176.600 -0.073 0.000 1.047 311 K CA 0.665 56.912 56.287 -0.066 0.000 0.942 311 K CB -0.556 31.916 32.500 -0.046 0.000 0.739 311 K HN 0.604 nan 8.250 nan 0.000 0.457 312 I N 3.701 124.223 120.570 -0.080 0.000 2.291 312 I HA 0.041 4.211 4.170 -0.000 0.000 0.290 312 I C -1.241 174.798 176.117 -0.130 0.000 1.050 312 I CA -1.858 59.396 61.300 -0.077 0.000 1.245 312 I CB 1.447 39.416 38.000 -0.052 0.000 1.405 312 I HN -0.137 nan 8.210 nan 0.000 0.478 313 P HA -0.254 nan 4.420 nan 0.000 0.219 313 P C 0.604 177.758 177.300 -0.244 0.000 1.151 313 P CA 1.760 64.753 63.100 -0.178 0.000 0.850 313 P CB -0.023 31.623 31.700 -0.089 0.000 0.784 314 N N -0.848 117.775 118.700 -0.128 0.000 2.236 314 N HA 0.065 4.805 4.740 -0.000 0.000 0.196 314 N C 0.312 175.847 175.510 0.040 0.000 1.114 314 N CA -0.155 52.891 53.050 -0.006 0.000 0.859 314 N CB -0.011 38.502 38.487 0.044 0.000 0.982 314 N HN 0.229 nan 8.380 nan 0.000 0.493 315 I N 1.658 122.165 120.570 -0.106 0.000 2.355 315 I HA 0.302 4.472 4.170 -0.000 0.000 0.288 315 I C -0.855 175.212 176.117 -0.083 0.000 0.999 315 I CA -0.822 60.480 61.300 0.003 0.000 1.163 315 I CB 0.689 38.682 38.000 -0.011 0.000 1.316 315 I HN -0.154 nan 8.210 nan 0.000 0.454 316 Y N 4.438 124.746 120.300 0.014 0.000 2.602 316 Y HA 0.828 5.378 4.550 -0.000 0.000 0.330 316 Y C 0.295 176.225 175.900 0.050 0.000 1.114 316 Y CA -1.037 57.092 58.100 0.048 0.000 1.182 316 Y CB 1.752 40.245 38.460 0.054 0.000 1.305 316 Y HN 0.536 nan 8.280 nan 0.000 0.502 317 A N 1.578 124.561 122.820 0.272 0.000 2.547 317 A HA 0.848 5.168 4.320 -0.000 0.000 0.297 317 A C -1.299 176.398 177.584 0.189 0.000 1.056 317 A CA -0.557 51.584 52.037 0.173 0.000 0.688 317 A CB 1.027 20.101 19.000 0.122 0.000 1.282 317 A HN 0.764 nan 8.150 nan 0.000 0.400 318 I N -1.315 119.301 120.570 0.076 0.000 3.279 318 I HA 0.953 5.123 4.170 -0.000 0.000 0.315 318 I C 0.511 176.624 176.117 -0.007 0.000 1.225 318 I CA -0.373 60.917 61.300 -0.015 0.000 0.947 318 I CB 1.828 39.708 38.000 -0.201 0.000 1.293 318 I HN 2.110 nan 8.210 nan 0.000 0.468 319 G N 2.078 110.859 108.800 -0.031 0.000 2.542 319 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.235 319 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.235 319 G C -0.055 174.858 174.900 0.021 0.000 1.286 319 G CA 0.604 45.696 45.100 -0.013 0.000 0.904 319 G HN 0.832 nan 8.290 nan 0.000 0.577 320 D N -0.502 119.911 120.400 0.022 0.000 2.309 320 D HA 0.039 4.679 4.640 -0.000 0.000 0.212 320 D C 2.306 178.637 176.300 0.051 0.000 0.968 320 D CA 1.182 55.203 54.000 0.035 0.000 0.882 320 D CB 0.085 40.908 40.800 0.039 0.000 0.918 320 D HN 0.478 nan 8.370 nan 0.000 0.503 321 V N 0.349 120.298 119.914 0.058 0.000 3.573 321 V HA 0.021 4.141 4.120 -0.000 0.000 0.270 321 V C 0.602 176.730 176.094 0.056 0.000 1.221 321 V CA 0.274 62.612 62.300 0.063 0.000 1.163 321 V CB -0.146 31.718 31.823 0.069 0.000 0.847 321 V HN 0.007 nan 8.190 nan 0.000 0.468 322 V N -2.185 117.766 119.914 0.062 0.000 3.158 322 V HA 0.952 5.072 4.120 -0.000 0.000 0.315 322 V C 0.273 176.389 176.094 0.035 0.000 1.148 322 V CA -0.737 61.603 62.300 0.065 0.000 1.042 322 V CB 1.118 33.020 31.823 0.132 0.000 1.101 322 V HN 0.163 nan 8.190 nan 0.000 0.448 323 A N -0.020 122.802 122.820 0.004 0.000 2.366 323 A HA 0.808 5.128 4.320 -0.000 0.000 0.250 323 A C 0.864 178.390 177.584 -0.096 0.000 1.099 323 A CA 0.502 52.511 52.037 -0.048 0.000 0.794 323 A CB -0.426 18.525 19.000 -0.082 0.000 1.056 323 A HN 3.004 nan 8.150 nan 0.000 0.499 324 G N -0.688 108.034 108.800 -0.130 0.000 2.555 324 G HA2 0.141 4.101 3.960 -0.000 0.000 0.686 324 G HA3 0.141 4.101 3.960 -0.000 0.000 0.686 324 G C -2.934 171.951 174.900 -0.025 0.000 1.275 324 G CA -0.435 44.564 45.100 -0.168 0.000 0.871 324 G HN 0.958 nan 8.290 nan 0.000 0.603 325 P HA 0.215 nan 4.420 nan 0.000 0.264 325 P C 0.251 177.553 177.300 0.004 0.000 1.193 325 P CA 0.226 63.345 63.100 0.031 0.000 0.763 325 P CB 0.302 32.028 31.700 0.043 0.000 0.810 326 M N 4.010 123.615 119.600 0.008 0.000 3.213 326 M HA 0.226 4.706 4.480 -0.000 0.000 0.275 326 M C -0.095 176.188 176.300 -0.028 0.000 1.424 326 M CA 0.318 55.617 55.300 -0.001 0.000 1.561 326 M CB -0.595 32.020 32.600 0.024 0.000 1.109 326 M HN 0.203 nan 8.290 nan 0.000 0.552 327 L N -0.352 120.810 121.223 -0.102 0.000 2.341 327 L HA 0.652 4.992 4.340 -0.000 0.000 0.267 327 L C 1.127 177.873 176.870 -0.206 0.000 1.009 327 L CA -0.607 54.119 54.840 -0.189 0.000 0.819 327 L CB 1.813 43.610 42.059 -0.437 0.000 1.323 327 L HN 0.518 nan 8.230 nan 0.000 0.425 328 A N 0.298 123.061 122.820 -0.095 0.000 1.873 328 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 328 A C 2.008 179.571 177.584 -0.034 0.000 1.186 328 A CA 1.611 53.638 52.037 -0.017 0.000 0.616 328 A CB -0.810 18.235 19.000 0.076 0.000 0.823 328 A HN 0.937 nan 8.150 nan 0.000 0.442 329 H N -0.653 118.399 119.070 -0.030 0.000 2.423 329 H HA -0.061 4.495 4.556 -0.000 0.000 0.297 329 H C 1.761 177.052 175.328 -0.061 0.000 1.075 329 H CA 1.400 57.418 56.048 -0.051 0.000 1.342 329 H CB -0.504 29.228 29.762 -0.049 0.000 1.395 329 H HN 0.405 nan 8.280 nan 0.000 0.530 330 K N 1.894 122.079 120.400 -0.357 0.000 2.009 330 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 330 K C 2.366 178.892 176.600 -0.123 0.000 1.049 330 K CA 1.481 57.651 56.287 -0.195 0.000 0.929 330 K CB -0.478 31.917 32.500 -0.175 0.000 0.714 330 K HN 0.313 nan 8.250 nan 0.000 0.440 331 A N 1.557 124.303 122.820 -0.123 0.000 1.908 331 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 331 A C 2.019 179.515 177.584 -0.147 0.000 1.181 331 A CA 1.850 53.820 52.037 -0.111 0.000 0.627 331 A CB -0.453 18.500 19.000 -0.079 0.000 0.818 331 A HN 0.558 nan 8.150 nan 0.000 0.445 332 E N -0.339 119.782 120.200 -0.132 0.000 2.072 332 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 332 E C 1.496 178.002 176.600 -0.157 0.000 0.985 332 E CA 1.166 57.471 56.400 -0.158 0.000 0.801 332 E CB -0.254 29.367 29.700 -0.131 0.000 0.750 332 E HN 0.532 nan 8.360 nan 0.000 0.452 333 D N 0.893 121.213 120.400 -0.133 0.000 2.117 333 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 333 D C 1.734 177.908 176.300 -0.210 0.000 0.987 333 D CA 0.959 54.875 54.000 -0.140 0.000 0.829 333 D CB -0.130 40.598 40.800 -0.120 0.000 0.961 333 D HN 0.221 nan 8.370 nan 0.000 0.460 334 E N 0.023 120.046 120.200 -0.296 0.000 2.077 334 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 334 E C 2.187 178.452 176.600 -0.559 0.000 0.989 334 E CA 0.954 56.986 56.400 -0.612 0.000 0.800 334 E CB -0.203 29.066 29.700 -0.718 0.000 0.746 334 E HN 0.284 nan 8.360 nan 0.000 0.452 335 G N 1.252 109.844 108.800 -0.346 0.000 2.418 335 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 335 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 335 G C 1.587 176.363 174.900 -0.208 0.000 1.158 335 G CA 0.576 45.520 45.100 -0.261 0.000 0.771 335 G HN 0.115 nan 8.290 nan 0.000 0.545 336 I N 1.422 121.886 120.570 -0.176 0.000 2.233 336 I HA -0.074 4.096 4.170 -0.000 0.000 0.243 336 I C 2.757 178.824 176.117 -0.083 0.000 1.093 336 I CA 1.021 62.253 61.300 -0.113 0.000 1.380 336 I CB -0.251 37.694 38.000 -0.091 0.000 1.067 336 I HN 0.288 nan 8.210 nan 0.000 0.413 337 I N -1.236 119.281 120.570 -0.088 0.000 2.394 337 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 337 I C 2.811 178.952 176.117 0.039 0.000 1.136 337 I CA 1.202 62.502 61.300 -0.001 0.000 1.425 337 I CB -0.925 37.110 38.000 0.058 0.000 1.079 337 I HN 0.341 nan 8.210 nan 0.000 0.425 338 C N 1.284 120.551 119.300 -0.055 0.000 2.432 338 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 338 C C 2.837 177.758 174.990 -0.114 0.000 1.249 338 C CA 1.074 60.090 59.018 -0.003 0.000 1.725 338 C CB -0.871 26.787 27.740 -0.137 0.000 2.028 338 C HN 0.481 nan 8.230 nan 0.000 0.477 339 V N 0.761 120.592 119.914 -0.140 0.000 2.427 339 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 339 V C 2.476 178.589 176.094 0.031 0.000 1.051 339 V CA 2.375 64.605 62.300 -0.117 0.000 1.048 339 V CB -0.753 31.024 31.823 -0.078 0.000 0.666 339 V HN 0.609 nan 8.190 nan 0.000 0.456 340 E N 0.026 120.246 120.200 0.034 0.000 2.150 340 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 340 E C 2.302 178.952 176.600 0.084 0.000 0.985 340 E CA 1.031 57.471 56.400 0.066 0.000 0.814 340 E CB -0.418 29.306 29.700 0.040 0.000 0.752 340 E HN 0.655 nan 8.360 nan 0.000 0.466 341 G N 1.153 110.001 108.800 0.079 0.000 2.421 341 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 341 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 341 G C 1.537 176.505 174.900 0.113 0.000 1.171 341 G CA 0.709 45.875 45.100 0.110 0.000 0.775 341 G HN 0.119 nan 8.290 nan 0.000 0.543 342 M N 0.814 120.447 119.600 0.055 0.000 2.267 342 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 342 M C 2.561 179.033 176.300 0.286 0.000 1.063 342 M CA 1.268 56.616 55.300 0.079 0.000 1.090 342 M CB -0.053 32.431 32.600 -0.192 0.000 1.392 342 M HN 0.306 nan 8.290 nan 0.000 0.422 343 A N -0.549 122.440 122.820 0.282 0.000 2.337 343 A HA 0.456 4.776 4.320 -0.000 0.000 0.227 343 A C 1.536 179.172 177.584 0.087 0.000 1.259 343 A CA 0.616 52.761 52.037 0.179 0.000 0.870 343 A CB -0.566 18.466 19.000 0.052 0.000 0.927 343 A HN 0.639 nan 8.150 nan 0.000 0.497 344 G N -1.886 106.976 108.800 0.102 0.000 2.176 344 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.232 344 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.232 344 G C 0.717 175.653 174.900 0.060 0.000 0.986 344 G CA 0.145 45.288 45.100 0.072 0.000 0.643 344 G HN 1.338 nan 8.290 nan 0.000 0.522 345 G N 0.030 108.868 108.800 0.064 0.000 2.562 345 G HA2 0.745 4.705 3.960 -0.000 0.000 0.275 345 G HA3 0.745 4.705 3.960 -0.000 0.000 0.275 345 G C 0.639 175.578 174.900 0.066 0.000 1.196 345 G CA 0.505 45.637 45.100 0.053 0.000 0.908 345 G HN 1.482 nan 8.290 nan 0.000 0.524 346 A N -0.838 122.016 122.820 0.057 0.000 2.346 346 A HA 0.580 4.900 4.320 -0.000 0.000 0.252 346 A C 0.748 178.391 177.584 0.097 0.000 1.089 346 A CA -0.146 51.932 52.037 0.068 0.000 0.797 346 A CB 0.700 19.730 19.000 0.050 0.000 1.047 346 A HN 0.721 nan 8.150 nan 0.000 0.494 347 V N 0.686 120.675 119.914 0.126 0.000 4.960 347 V HA 0.283 4.403 4.120 -0.000 0.000 0.172 347 V C 0.732 176.948 176.094 0.204 0.000 1.014 347 V CA 0.554 62.955 62.300 0.168 0.000 1.452 347 V CB -1.012 30.922 31.823 0.185 0.000 2.245 347 V HN 1.112 nan 8.190 nan 0.000 0.371 348 H N -0.098 119.019 119.070 0.078 0.000 4.011 348 H HA -0.164 4.392 4.556 -0.000 0.000 0.259 348 H C -0.139 175.208 175.328 0.033 0.000 0.620 348 H CA 1.228 57.306 56.048 0.049 0.000 0.737 348 H CB -0.162 29.614 29.762 0.022 0.000 1.214 348 H HN 0.568 nan 8.280 nan 0.000 0.297 349 I N 2.462 122.616 120.570 -0.692 0.000 4.317 349 I HA 0.076 4.246 4.170 -0.000 0.000 0.289 349 I C -0.205 175.594 176.117 -0.531 0.000 1.164 349 I CA 0.978 61.991 61.300 -0.478 0.000 1.312 349 I CB 0.517 38.258 38.000 -0.432 0.000 1.569 349 I HN 0.757 nan 8.210 nan 0.000 0.450 350 D N 0.794 120.848 120.400 -0.577 0.000 3.975 350 D HA -0.209 4.431 4.640 -0.000 0.000 0.251 350 D C -0.304 175.877 176.300 -0.197 0.000 1.046 350 D CA 0.434 54.308 54.000 -0.210 0.000 1.135 350 D CB -1.372 39.416 40.800 -0.021 0.000 0.911 350 D HN 0.488 nan 8.370 nan 0.000 0.415 351 Y N 1.343 121.625 120.300 -0.029 0.000 2.639 351 Y HA -0.013 4.537 4.550 -0.000 0.000 0.297 351 Y C 2.252 178.165 175.900 0.021 0.000 1.151 351 Y CA 1.211 59.311 58.100 0.001 0.000 1.335 351 Y CB -0.254 38.210 38.460 0.008 0.000 0.994 351 Y HN 0.353 nan 8.280 nan 0.000 0.548 352 N N -1.065 117.713 118.700 0.130 0.000 2.515 352 N HA -0.068 4.672 4.740 -0.000 0.000 0.185 352 N C 0.591 176.142 175.510 0.069 0.000 1.109 352 N CA 0.652 53.766 53.050 0.108 0.000 0.903 352 N CB -0.135 38.412 38.487 0.100 0.000 0.969 352 N HN 0.181 nan 8.380 nan 0.000 0.450 353 C N -0.084 119.234 119.300 0.030 0.000 2.884 353 C HA 0.404 4.864 4.460 -0.000 0.000 0.287 353 C C 0.199 175.188 174.990 -0.002 0.000 1.310 353 C CA -0.686 58.339 59.018 0.012 0.000 1.725 353 C CB -0.864 26.874 27.740 -0.003 0.000 2.060 353 C HN 0.031 nan 8.230 nan 0.000 0.618 354 V N 5.067 124.988 119.914 0.013 0.000 2.389 354 V HA 0.228 4.348 4.120 -0.000 0.000 0.264 354 V C -1.631 174.477 176.094 0.024 0.000 1.049 354 V CA -0.863 61.457 62.300 0.034 0.000 0.932 354 V CB 0.651 32.498 31.823 0.040 0.000 1.011 354 V HN 0.329 nan 8.190 nan 0.000 0.475 355 P HA 0.311 nan 4.420 nan 0.000 0.274 355 P C -0.561 176.641 177.300 -0.164 0.000 1.237 355 P CA -0.312 62.706 63.100 -0.137 0.000 0.793 355 P CB 1.247 32.836 31.700 -0.185 0.000 0.977 356 S N -0.126 115.233 115.700 -0.567 0.000 2.526 356 S HA 0.600 5.070 4.470 -0.000 0.000 0.293 356 S C -0.573 173.528 174.600 -0.832 0.000 1.092 356 S CA -0.569 57.180 58.200 -0.752 0.000 0.980 356 S CB 1.469 63.818 63.200 -1.419 0.000 1.048 356 S HN 0.280 nan 8.310 nan 0.000 0.483 357 V N 3.025 122.606 119.914 -0.555 0.000 2.888 357 V HA 0.554 4.674 4.120 -0.000 0.000 0.309 357 V C -1.076 174.758 176.094 -0.432 0.000 1.114 357 V CA -0.628 61.334 62.300 -0.564 0.000 0.940 357 V CB 1.944 33.344 31.823 -0.705 0.000 1.021 357 V HN 0.820 nan 8.190 nan 0.000 0.426 358 I N 3.437 123.773 120.570 -0.391 0.000 2.382 358 I HA 0.358 4.528 4.170 -0.000 0.000 0.286 358 I C -0.676 175.297 176.117 -0.240 0.000 1.002 358 I CA -0.462 60.747 61.300 -0.151 0.000 1.135 358 I CB 1.688 39.667 38.000 -0.036 0.000 1.288 358 I HN 0.644 nan 8.210 nan 0.000 0.448 359 Y N 3.939 124.245 120.300 0.009 0.000 2.547 359 Y HA 0.037 4.587 4.550 -0.000 0.000 0.325 359 Y C 1.710 177.622 175.900 0.020 0.000 1.165 359 Y CA -0.492 57.603 58.100 -0.008 0.000 1.300 359 Y CB -0.528 37.923 38.460 -0.015 0.000 1.126 359 Y HN 0.555 nan 8.280 nan 0.000 0.513 360 T N -2.974 111.678 114.554 0.164 0.000 2.801 360 T HA 0.166 4.516 4.350 -0.000 0.000 0.324 360 T C -0.577 174.184 174.700 0.102 0.000 1.088 360 T CA -0.456 61.762 62.100 0.196 0.000 0.975 360 T CB 0.841 69.928 68.868 0.365 0.000 1.316 360 T HN 0.349 nan 8.240 nan 0.000 0.533 361 H N 1.248 120.341 119.070 0.037 0.000 3.013 361 H HA 0.438 4.994 4.556 -0.000 0.000 0.326 361 H C -2.673 172.698 175.328 0.073 0.000 0.973 361 H CA -1.661 54.348 56.048 -0.066 0.000 1.369 361 H CB 1.366 30.932 29.762 -0.326 0.000 1.598 361 H HN 0.479 nan 8.280 nan 0.000 0.518 362 P HA 0.038 nan 4.420 nan 0.000 0.272 362 P C -0.445 176.738 177.300 -0.194 0.000 1.223 362 P CA -0.174 62.724 63.100 -0.336 0.000 0.784 362 P CB 1.624 33.236 31.700 -0.148 0.000 0.923 363 E N -0.049 119.969 120.200 -0.304 0.000 2.345 363 E HA 0.391 4.741 4.350 -0.000 0.000 0.259 363 E C -0.565 175.864 176.600 -0.285 0.000 1.117 363 E CA -0.866 55.382 56.400 -0.253 0.000 0.913 363 E CB 0.915 30.458 29.700 -0.262 0.000 1.057 363 E HN 0.197 nan 8.360 nan 0.000 0.432 364 V N 0.458 120.179 119.914 -0.321 0.000 2.709 364 V HA 0.763 4.883 4.120 -0.000 0.000 0.308 364 V C -0.745 175.276 176.094 -0.122 0.000 1.062 364 V CA -0.758 61.396 62.300 -0.244 0.000 0.901 364 V CB 1.580 33.143 31.823 -0.434 0.000 1.003 364 V HN 0.780 nan 8.190 nan 0.000 0.425 365 A N 3.820 126.668 122.820 0.047 0.000 2.566 365 A HA 0.972 5.292 4.320 -0.000 0.000 0.297 365 A C -1.748 175.955 177.584 0.198 0.000 1.059 365 A CA -0.604 51.402 52.037 -0.051 0.000 0.691 365 A CB 1.614 20.496 19.000 -0.196 0.000 1.282 365 A HN 1.707 nan 8.150 nan 0.000 0.401 366 W N 0.164 121.400 121.300 -0.107 0.000 3.146 366 W HA 0.750 5.410 4.660 -0.000 0.000 0.319 366 W C -1.963 174.469 176.519 -0.144 0.000 1.258 366 W CA -1.091 56.154 57.345 -0.166 0.000 1.189 366 W CB 1.080 30.466 29.460 -0.124 0.000 1.412 366 W HN 1.105 nan 8.180 nan 0.000 0.567 367 V N 2.646 122.561 119.914 0.002 0.000 3.048 367 V HA 0.861 4.981 4.120 -0.000 0.000 0.303 367 V C 0.253 176.365 176.094 0.029 0.000 1.214 367 V CA 0.430 62.727 62.300 -0.004 0.000 0.984 367 V CB 1.369 33.167 31.823 -0.041 0.000 1.054 367 V HN 2.250 nan 8.190 nan 0.000 0.430 368 G N 5.302 114.152 108.800 0.083 0.000 2.475 368 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.223 368 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.223 368 G C -0.589 174.392 174.900 0.134 0.000 1.201 368 G CA 0.185 45.336 45.100 0.085 0.000 0.962 368 G HN 0.953 nan 8.290 nan 0.000 0.586 369 K N 0.526 120.999 120.400 0.121 0.000 2.259 369 K HA 0.659 4.979 4.320 -0.000 0.000 0.249 369 K C 0.482 177.197 176.600 0.191 0.000 0.942 369 K CA -0.018 56.346 56.287 0.128 0.000 0.816 369 K CB 1.852 34.382 32.500 0.051 0.000 1.155 369 K HN 0.883 nan 8.250 nan 0.000 0.428 370 S N 0.293 116.038 115.700 0.074 0.000 2.645 370 S HA 0.150 4.620 4.470 -0.000 0.000 0.266 370 S C 0.909 175.362 174.600 -0.246 0.000 1.258 370 S CA -0.620 57.493 58.200 -0.145 0.000 0.990 370 S CB 1.202 64.264 63.200 -0.231 0.000 0.967 370 S HN 0.653 nan 8.310 nan 0.000 0.556 371 E N 0.723 120.708 120.200 -0.359 0.000 2.077 371 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 371 E C 1.796 178.270 176.600 -0.209 0.000 0.989 371 E CA 1.613 57.792 56.400 -0.367 0.000 0.800 371 E CB -0.188 29.367 29.700 -0.241 0.000 0.746 371 E HN 0.719 nan 8.360 nan 0.000 0.452 372 E N 0.899 120.997 120.200 -0.169 0.000 2.058 372 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 372 E C 2.052 178.609 176.600 -0.071 0.000 0.997 372 E CA 1.182 57.520 56.400 -0.103 0.000 0.801 372 E CB -0.189 29.434 29.700 -0.127 0.000 0.746 372 E HN 0.250 nan 8.360 nan 0.000 0.450 373 Q N 0.008 119.759 119.800 -0.082 0.000 2.061 373 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 373 Q C 2.288 178.271 176.000 -0.027 0.000 0.984 373 Q CA 1.220 56.999 55.803 -0.040 0.000 0.846 373 Q CB -0.223 28.502 28.738 -0.021 0.000 0.902 373 Q HN 0.296 nan 8.270 nan 0.000 0.421 374 L N 0.421 121.600 121.223 -0.073 0.000 2.083 374 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 374 L C 2.265 179.182 176.870 0.080 0.000 1.083 374 L CA 1.252 56.074 54.840 -0.030 0.000 0.752 374 L CB -0.350 41.582 42.059 -0.212 0.000 0.899 374 L HN 0.176 nan 8.230 nan 0.000 0.433 375 K N 0.476 120.930 120.400 0.089 0.000 2.002 375 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 375 K C 1.805 178.441 176.600 0.060 0.000 1.048 375 K CA 1.736 58.093 56.287 0.117 0.000 0.930 375 K CB -0.221 32.339 32.500 0.100 0.000 0.714 375 K HN 0.430 nan 8.250 nan 0.000 0.438 376 E N 0.995 121.214 120.200 0.031 0.000 2.515 376 E HA -0.181 4.169 4.350 -0.000 0.000 0.201 376 E C 0.710 177.327 176.600 0.028 0.000 1.071 376 E CA 0.971 57.385 56.400 0.023 0.000 0.880 376 E CB 0.047 29.753 29.700 0.011 0.000 0.828 376 E HN 0.387 nan 8.360 nan 0.000 0.540 377 E N -0.206 120.017 120.200 0.038 0.000 2.526 377 E HA 0.140 4.490 4.350 -0.000 0.000 0.208 377 E C 0.725 177.354 176.600 0.049 0.000 0.997 377 E CA 0.158 56.583 56.400 0.040 0.000 0.961 377 E CB 0.918 30.643 29.700 0.041 0.000 1.030 377 E HN 0.419 nan 8.360 nan 0.000 0.483 378 G N 2.189 111.024 108.800 0.058 0.000 2.198 378 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 378 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 378 G C 0.177 175.121 174.900 0.073 0.000 1.025 378 G CA 0.025 45.160 45.100 0.057 0.000 0.769 378 G HN 0.172 nan 8.290 nan 0.000 0.507 379 I N 0.852 121.487 120.570 0.110 0.000 2.371 379 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 379 I C 0.804 177.033 176.117 0.188 0.000 1.028 379 I CA -0.517 60.861 61.300 0.131 0.000 1.345 379 I CB 0.792 38.872 38.000 0.134 0.000 1.407 379 I HN 0.196 nan 8.210 nan 0.000 0.501 380 E N 6.687 126.949 120.200 0.103 0.000 2.316 380 E HA 0.312 4.662 4.350 -0.000 0.000 0.275 380 E C -1.223 175.436 176.600 0.098 0.000 1.029 380 E CA -0.086 56.330 56.400 0.027 0.000 0.871 380 E CB 1.030 30.720 29.700 -0.017 0.000 1.022 380 E HN 0.502 nan 8.360 nan 0.000 0.418 381 Y N 0.171 120.476 120.300 0.007 0.000 2.615 381 Y HA 0.525 5.075 4.550 -0.000 0.000 0.341 381 Y C -0.916 174.987 175.900 0.006 0.000 1.089 381 Y CA -1.480 56.627 58.100 0.011 0.000 1.049 381 Y CB 0.994 39.464 38.460 0.017 0.000 1.296 381 Y HN 0.281 nan 8.280 nan 0.000 0.470 382 K N 0.838 121.357 120.400 0.198 0.000 2.295 382 K HA 0.891 5.211 4.320 -0.000 0.000 0.239 382 K C -1.727 175.002 176.600 0.216 0.000 0.991 382 K CA -1.140 55.212 56.287 0.108 0.000 0.845 382 K CB 2.591 35.122 32.500 0.051 0.000 1.197 382 K HN 0.508 nan 8.250 nan 0.000 0.441 383 V N 0.351 120.350 119.914 0.141 0.000 2.656 383 V HA 0.595 4.715 4.120 -0.000 0.000 0.307 383 V C -0.272 175.873 176.094 0.085 0.000 1.051 383 V CA -0.714 61.667 62.300 0.135 0.000 0.893 383 V CB 1.861 33.770 31.823 0.143 0.000 0.999 383 V HN 0.980 nan 8.190 nan 0.000 0.426 384 G N 3.106 111.951 108.800 0.075 0.000 2.530 384 G HA2 0.736 4.696 3.960 -0.000 0.000 0.316 384 G HA3 0.736 4.696 3.960 -0.000 0.000 0.316 384 G C -1.115 173.827 174.900 0.070 0.000 1.298 384 G CA -0.625 44.516 45.100 0.069 0.000 0.948 384 G HN 0.594 nan 8.290 nan 0.000 0.486 385 K N 0.918 121.373 120.400 0.092 0.000 2.427 385 K HA 0.530 4.850 4.320 -0.000 0.000 0.252 385 K C -2.016 174.636 176.600 0.087 0.000 0.931 385 K CA -0.719 55.607 56.287 0.065 0.000 0.793 385 K CB 2.828 35.349 32.500 0.034 0.000 1.211 385 K HN 0.396 nan 8.250 nan 0.000 0.426 386 F N 4.716 124.568 119.950 -0.162 0.000 2.562 386 F HA 0.375 4.902 4.527 -0.000 0.000 0.319 386 F C -2.523 173.012 175.800 -0.441 0.000 1.154 386 F CA -1.952 55.883 58.000 -0.275 0.000 0.931 386 F CB 1.765 40.633 39.000 -0.220 0.000 1.198 386 F HN 0.307 nan 8.300 nan 0.000 0.444 387 P HA 0.183 nan 4.420 nan 0.000 0.288 387 P C 0.332 177.345 177.300 -0.478 0.000 1.267 387 P CA -0.142 62.571 63.100 -0.644 0.000 0.815 387 P CB 1.007 32.264 31.700 -0.738 0.000 0.989 388 F N 1.759 121.667 119.950 -0.070 0.000 2.408 388 F HA -0.077 4.450 4.527 -0.000 0.000 0.300 388 F C 2.499 178.301 175.800 0.004 0.000 1.090 388 F CA 1.497 59.518 58.000 0.035 0.000 1.427 388 F CB -1.154 37.871 39.000 0.042 0.000 1.070 388 F HN 0.364 nan 8.300 nan 0.000 0.549 389 A N -0.448 122.400 122.820 0.046 0.000 2.121 389 A HA 0.129 4.449 4.320 -0.000 0.000 0.218 389 A C 2.193 179.775 177.584 -0.004 0.000 1.154 389 A CA 1.372 53.423 52.037 0.023 0.000 0.679 389 A CB -0.811 18.170 19.000 -0.032 0.000 0.795 389 A HN 0.240 nan 8.150 nan 0.000 0.458 390 A N -0.724 122.028 122.820 -0.114 0.000 2.348 390 A HA 0.171 4.491 4.320 -0.000 0.000 0.224 390 A C 0.802 178.552 177.584 0.277 0.000 1.227 390 A CA -0.226 51.784 52.037 -0.044 0.000 0.885 390 A CB -0.230 18.484 19.000 -0.477 0.000 0.933 390 A HN 0.476 nan 8.150 nan 0.000 0.506 391 N N 0.357 119.259 118.700 0.337 0.000 2.444 391 N HA 0.119 4.859 4.740 -0.000 0.000 0.271 391 N C 0.525 176.187 175.510 0.255 0.000 1.069 391 N CA 0.157 53.437 53.050 0.383 0.000 0.965 391 N CB 1.152 39.902 38.487 0.439 0.000 1.092 391 N HN 0.085 nan 8.380 nan 0.000 0.476 392 S N 3.493 119.326 115.700 0.221 0.000 2.370 392 S HA -0.145 4.325 4.470 -0.000 0.000 0.226 392 S C 1.735 176.386 174.600 0.084 0.000 1.033 392 S CA 1.037 59.328 58.200 0.152 0.000 1.011 392 S CB -0.083 63.218 63.200 0.168 0.000 0.852 392 S HN 0.660 nan 8.310 nan 0.000 0.457 393 R N 0.813 121.351 120.500 0.064 0.000 2.092 393 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 393 R C 2.363 178.711 176.300 0.080 0.000 1.119 393 R CA 1.172 57.297 56.100 0.042 0.000 0.970 393 R CB -0.396 29.922 30.300 0.031 0.000 0.864 393 R HN 0.379 nan 8.270 nan 0.000 0.440 394 A N 0.920 123.822 122.820 0.137 0.000 1.902 394 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 394 A C 2.024 179.680 177.584 0.119 0.000 1.181 394 A CA 1.650 53.765 52.037 0.131 0.000 0.623 394 A CB -0.339 18.801 19.000 0.232 0.000 0.818 394 A HN 0.213 nan 8.150 nan 0.000 0.443 395 K N -0.433 120.044 120.400 0.128 0.000 2.103 395 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 395 K C 1.933 178.582 176.600 0.082 0.000 1.052 395 K CA 2.084 58.434 56.287 0.106 0.000 0.945 395 K CB -0.805 31.761 32.500 0.110 0.000 0.722 395 K HN 0.381 nan 8.250 nan 0.000 0.443 396 T N 1.088 115.685 114.554 0.071 0.000 2.788 396 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 396 T C 1.138 175.868 174.700 0.049 0.000 1.044 396 T CA 1.518 63.649 62.100 0.051 0.000 1.139 396 T CB -0.291 68.597 68.868 0.033 0.000 0.867 396 T HN 0.244 nan 8.240 nan 0.000 0.454 397 N N 0.946 119.680 118.700 0.058 0.000 2.461 397 N HA 0.295 5.035 4.740 -0.000 0.000 0.188 397 N C 0.829 176.387 175.510 0.080 0.000 1.134 397 N CA 0.567 53.655 53.050 0.064 0.000 0.878 397 N CB -0.201 38.329 38.487 0.072 0.000 0.972 397 N HN 0.419 nan 8.380 nan 0.000 0.456 398 A N 0.786 123.654 122.820 0.080 0.000 2.610 398 A HA -0.202 4.118 4.320 -0.000 0.000 0.299 398 A C -0.206 177.445 177.584 0.111 0.000 1.487 398 A CA 0.974 53.063 52.037 0.087 0.000 0.743 398 A CB -1.882 17.164 19.000 0.076 0.000 1.070 398 A HN 0.283 nan 8.150 nan 0.000 0.439 399 D N -0.132 120.337 120.400 0.114 0.000 2.429 399 D HA 0.420 5.060 4.640 -0.000 0.000 0.255 399 D C 0.834 177.191 176.300 0.094 0.000 1.257 399 D CA 0.529 54.610 54.000 0.135 0.000 0.890 399 D CB 0.220 41.113 40.800 0.155 0.000 1.267 399 D HN 0.589 nan 8.370 nan 0.000 0.521 400 T N -1.370 113.250 114.554 0.110 0.000 3.174 400 T HA 0.233 4.583 4.350 -0.000 0.000 0.269 400 T C 0.400 175.187 174.700 0.144 0.000 1.017 400 T CA -0.564 61.616 62.100 0.132 0.000 0.899 400 T CB 0.177 69.120 68.868 0.124 0.000 1.077 400 T HN -0.026 nan 8.240 nan 0.000 0.552 401 D N 2.112 122.575 120.400 0.106 0.000 2.423 401 D HA 0.478 5.118 4.640 -0.000 0.000 0.238 401 D C 1.279 177.683 176.300 0.173 0.000 1.142 401 D CA 1.695 55.761 54.000 0.109 0.000 0.884 401 D CB 0.820 41.667 40.800 0.078 0.000 1.199 401 D HN 0.596 nan 8.370 nan 0.000 0.438 402 G N 0.615 109.512 108.800 0.162 0.000 2.584 402 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.229 402 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.229 402 G C -0.297 174.722 174.900 0.198 0.000 1.320 402 G CA 0.269 45.488 45.100 0.198 0.000 0.891 402 G HN 0.805 nan 8.290 nan 0.000 0.573 403 M N -3.514 116.197 119.600 0.185 0.000 3.012 403 M HA 0.706 5.186 4.480 -0.000 0.000 0.272 403 M C -1.275 174.999 176.300 -0.043 0.000 1.187 403 M CA -1.177 54.067 55.300 -0.093 0.000 0.813 403 M CB 1.653 34.187 32.600 -0.110 0.000 1.626 403 M HN 1.031 nan 8.290 nan 0.000 0.507 404 V N 1.536 121.357 119.914 -0.155 0.000 2.459 404 V HA 0.617 4.737 4.120 -0.000 0.000 0.295 404 V C -0.722 175.400 176.094 0.047 0.000 1.029 404 V CA -0.420 61.889 62.300 0.016 0.000 0.874 404 V CB 1.673 33.511 31.823 0.025 0.000 0.985 404 V HN 0.771 nan 8.190 nan 0.000 0.438 405 K N 5.101 125.568 120.400 0.111 0.000 2.413 405 K HA 0.611 4.931 4.320 -0.000 0.000 0.257 405 K C -1.465 175.221 176.600 0.144 0.000 0.946 405 K CA -0.620 55.728 56.287 0.103 0.000 0.823 405 K CB 1.249 33.799 32.500 0.083 0.000 1.109 405 K HN 0.475 nan 8.250 nan 0.000 0.427 406 I N 6.021 126.642 120.570 0.086 0.000 2.404 406 I HA 0.315 4.485 4.170 -0.000 0.000 0.293 406 I C -0.499 175.667 176.117 0.082 0.000 0.992 406 I CA -0.816 60.524 61.300 0.067 0.000 1.149 406 I CB 1.435 39.415 38.000 -0.033 0.000 1.315 406 I HN 0.609 nan 8.210 nan 0.000 0.446 407 L N 5.802 127.078 121.223 0.090 0.000 2.298 407 L HA 0.671 5.011 4.340 -0.000 0.000 0.284 407 L C 0.448 177.364 176.870 0.076 0.000 1.013 407 L CA -0.440 54.442 54.840 0.070 0.000 0.824 407 L CB 1.714 43.751 42.059 -0.037 0.000 1.221 407 L HN 0.669 nan 8.230 nan 0.000 0.418 408 G N 1.503 110.370 108.800 0.112 0.000 2.448 408 G HA2 0.342 4.302 3.960 -0.000 0.000 0.324 408 G HA3 0.342 4.302 3.960 -0.000 0.000 0.324 408 G C -1.055 173.923 174.900 0.130 0.000 1.203 408 G CA -0.400 44.758 45.100 0.096 0.000 0.954 408 G HN 0.387 nan 8.290 nan 0.000 0.480 409 Q N 0.656 120.518 119.800 0.103 0.000 2.263 409 Q HA -0.011 4.329 4.340 -0.000 0.000 0.289 409 Q C 1.488 177.538 176.000 0.082 0.000 1.061 409 Q CA -0.075 55.790 55.803 0.104 0.000 0.927 409 Q CB 1.342 30.126 28.738 0.076 0.000 1.154 409 Q HN 0.677 nan 8.270 nan 0.000 0.378 410 K N 2.633 123.080 120.400 0.077 0.000 2.089 410 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 410 K C 1.587 178.200 176.600 0.022 0.000 1.048 410 K CA 2.511 58.817 56.287 0.033 0.000 0.926 410 K CB -0.097 32.404 32.500 0.001 0.000 0.714 410 K HN 0.614 nan 8.250 nan 0.000 0.448 411 S N -2.486 113.230 115.700 0.027 0.000 2.527 411 S HA -0.006 4.464 4.470 -0.000 0.000 0.227 411 S C 1.807 176.422 174.600 0.026 0.000 1.059 411 S CA 0.434 58.646 58.200 0.021 0.000 0.919 411 S CB -0.232 62.977 63.200 0.016 0.000 0.805 411 S HN 0.427 nan 8.310 nan 0.000 0.500 412 T N -1.675 112.899 114.554 0.034 0.000 3.081 412 T HA 0.152 4.502 4.350 -0.000 0.000 0.255 412 T C 0.666 175.389 174.700 0.038 0.000 1.113 412 T CA 0.922 63.043 62.100 0.035 0.000 1.082 412 T CB -0.562 68.329 68.868 0.038 0.000 0.939 412 T HN 0.343 nan 8.240 nan 0.000 0.506 413 D N 0.504 120.929 120.400 0.041 0.000 3.079 413 D HA -0.192 4.448 4.640 -0.000 0.000 0.214 413 D C 0.157 176.483 176.300 0.043 0.000 1.145 413 D CA 0.801 54.826 54.000 0.041 0.000 0.958 413 D CB -1.422 39.400 40.800 0.036 0.000 1.117 413 D HN 0.728 nan 8.370 nan 0.000 0.416 414 R N -0.185 120.344 120.500 0.049 0.000 2.491 414 R HA 0.402 4.742 4.340 -0.000 0.000 0.283 414 R C -0.378 175.955 176.300 0.056 0.000 1.072 414 R CA -0.375 55.757 56.100 0.053 0.000 1.048 414 R CB 0.787 31.120 30.300 0.056 0.000 0.983 414 R HN -0.016 nan 8.270 nan 0.000 0.450 415 V N 7.586 127.533 119.914 0.055 0.000 2.479 415 V HA 0.012 4.132 4.120 -0.000 0.000 0.281 415 V C 1.144 177.276 176.094 0.064 0.000 1.031 415 V CA 0.187 62.519 62.300 0.055 0.000 1.038 415 V CB 0.830 32.688 31.823 0.058 0.000 0.981 415 V HN 0.832 nan 8.190 nan 0.000 0.478 416 L N 3.905 125.165 121.223 0.061 0.000 2.515 416 L HA 0.482 4.822 4.340 -0.000 0.000 0.223 416 L C 1.021 177.925 176.870 0.056 0.000 1.079 416 L CA 0.650 55.523 54.840 0.056 0.000 0.857 416 L CB 0.397 42.483 42.059 0.045 0.000 1.050 416 L HN 0.799 nan 8.230 nan 0.000 0.476 417 G N -0.141 108.695 108.800 0.061 0.000 2.733 417 G HA2 0.633 4.593 3.960 -0.000 0.000 0.297 417 G HA3 0.633 4.593 3.960 -0.000 0.000 0.297 417 G C -1.937 172.976 174.900 0.021 0.000 1.452 417 G CA -0.023 45.106 45.100 0.048 0.000 0.940 417 G HN -0.017 nan 8.290 nan 0.000 0.547 418 A N 2.123 124.857 122.820 -0.143 0.000 2.359 418 A HA 0.849 5.169 4.320 -0.000 0.000 0.303 418 A C -0.968 176.451 177.584 -0.274 0.000 1.066 418 A CA -0.715 51.312 52.037 -0.016 0.000 0.730 418 A CB 1.109 20.241 19.000 0.220 0.000 1.211 418 A HN 0.753 nan 8.150 nan 0.000 0.439 419 H N 2.343 121.515 119.070 0.170 0.000 2.609 419 H HA 0.515 5.071 4.556 -0.000 0.000 0.344 419 H C -1.292 174.126 175.328 0.149 0.000 1.040 419 H CA -0.280 55.868 56.048 0.167 0.000 1.216 419 H CB 1.766 31.555 29.762 0.045 0.000 1.529 419 H HN 0.548 nan 8.280 nan 0.000 0.519 420 I N 3.824 124.537 120.570 0.239 0.000 2.465 420 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 420 I C -0.823 175.388 176.117 0.156 0.000 1.014 420 I CA -0.795 60.633 61.300 0.213 0.000 1.093 420 I CB 2.333 40.447 38.000 0.190 0.000 1.267 420 I HN 0.217 nan 8.210 nan 0.000 0.431 421 L N 6.516 127.850 121.223 0.184 0.000 2.372 421 L HA 0.991 5.331 4.340 -0.000 0.000 0.274 421 L C -0.147 176.822 176.870 0.165 0.000 0.988 421 L CA 0.395 55.285 54.840 0.083 0.000 0.833 421 L CB 1.146 43.242 42.059 0.062 0.000 1.236 421 L HN 0.831 nan 8.230 nan 0.000 0.410 422 G N 4.253 113.028 108.800 -0.042 0.000 2.340 422 G HA2 0.121 4.081 3.960 -0.000 0.000 0.282 422 G HA3 0.121 4.081 3.960 -0.000 0.000 0.282 422 G C -3.339 171.256 174.900 -0.509 0.000 1.312 422 G CA -0.494 44.460 45.100 -0.244 0.000 0.942 422 G HN 0.523 nan 8.290 nan 0.000 0.495 423 P HA 0.347 nan 4.420 nan 0.000 0.268 423 P C 1.077 178.107 177.300 -0.449 0.000 1.204 423 P CA 1.862 64.646 63.100 -0.526 0.000 0.768 423 P CB 0.900 32.356 31.700 -0.407 0.000 0.842 424 G N 2.774 111.431 108.800 -0.237 0.000 2.189 424 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.267 424 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.267 424 G C 1.171 175.992 174.900 -0.132 0.000 0.975 424 G CA 0.680 45.693 45.100 -0.145 0.000 0.644 424 G HN 0.708 nan 8.290 nan 0.000 0.537 425 A N 0.201 122.922 122.820 -0.165 0.000 1.903 425 A HA 0.103 4.423 4.320 -0.000 0.000 0.219 425 A C 2.947 180.432 177.584 -0.166 0.000 1.191 425 A CA 2.692 54.656 52.037 -0.121 0.000 0.638 425 A CB -1.231 17.690 19.000 -0.132 0.000 0.823 425 A HN 1.743 nan 8.150 nan 0.000 0.451 426 G N -0.874 107.791 108.800 -0.226 0.000 2.440 426 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 426 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 426 G C 1.425 176.229 174.900 -0.161 0.000 1.154 426 G CA 1.136 46.077 45.100 -0.265 0.000 0.767 426 G HN 0.521 nan 8.290 nan 0.000 0.552 427 E N -0.230 119.907 120.200 -0.105 0.000 2.112 427 E HA 0.014 4.364 4.350 -0.000 0.000 0.190 427 E C 2.360 178.887 176.600 -0.121 0.000 0.979 427 E CA 0.379 56.727 56.400 -0.087 0.000 0.814 427 E CB -0.400 29.270 29.700 -0.050 0.000 0.762 427 E HN 0.512 nan 8.360 nan 0.000 0.460 428 M N 0.643 120.167 119.600 -0.128 0.000 2.159 428 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 428 M C 2.174 178.309 176.300 -0.275 0.000 1.063 428 M CA 0.947 56.139 55.300 -0.180 0.000 1.110 428 M CB 0.015 32.551 32.600 -0.106 0.000 1.374 428 M HN -0.048 nan 8.290 nan 0.000 0.411 429 V N 1.568 121.354 119.914 -0.212 0.000 2.688 429 V HA -0.266 3.854 4.120 -0.000 0.000 0.256 429 V C 1.708 177.678 176.094 -0.207 0.000 1.084 429 V CA 1.837 64.011 62.300 -0.210 0.000 1.103 429 V CB -0.851 30.857 31.823 -0.191 0.000 0.688 429 V HN 0.583 nan 8.190 nan 0.000 0.480 430 N N -0.126 118.458 118.700 -0.193 0.000 2.354 430 N HA -0.155 4.585 4.740 -0.000 0.000 0.179 430 N C 1.790 177.218 175.510 -0.136 0.000 1.021 430 N CA 1.367 54.328 53.050 -0.148 0.000 0.887 430 N CB -0.064 38.347 38.487 -0.126 0.000 0.974 430 N HN 0.700 nan 8.380 nan 0.000 0.437 431 E N 1.272 121.349 120.200 -0.205 0.000 2.106 431 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 431 E C 1.839 178.350 176.600 -0.148 0.000 0.984 431 E CA 0.810 57.099 56.400 -0.185 0.000 0.806 431 E CB 0.078 29.605 29.700 -0.289 0.000 0.750 431 E HN 0.260 nan 8.360 nan 0.000 0.458 432 A N 1.362 124.015 122.820 -0.278 0.000 1.873 432 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 432 A C 2.435 180.049 177.584 0.050 0.000 1.186 432 A CA 1.719 53.749 52.037 -0.012 0.000 0.616 432 A CB -0.822 18.167 19.000 -0.019 0.000 0.823 432 A HN 0.408 nan 8.150 nan 0.000 0.442 433 A N -0.527 122.280 122.820 -0.020 0.000 1.940 433 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 433 A C 2.132 179.737 177.584 0.035 0.000 1.176 433 A CA 1.787 53.823 52.037 -0.001 0.000 0.631 433 A CB -0.578 18.397 19.000 -0.041 0.000 0.814 433 A HN 0.759 nan 8.150 nan 0.000 0.446 434 L N -0.455 120.796 121.223 0.046 0.000 2.056 434 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 434 L C 2.600 179.594 176.870 0.206 0.000 1.078 434 L CA 2.088 56.995 54.840 0.112 0.000 0.749 434 L CB -0.785 41.340 42.059 0.110 0.000 0.901 434 L HN 0.312 nan 8.230 nan 0.000 0.433 435 A N -0.311 122.621 122.820 0.186 0.000 1.877 435 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 435 A C 2.298 179.998 177.584 0.193 0.000 1.186 435 A CA 2.008 54.175 52.037 0.217 0.000 0.620 435 A CB -0.994 18.157 19.000 0.251 0.000 0.822 435 A HN 0.484 nan 8.150 nan 0.000 0.443 436 L N -0.957 120.354 121.223 0.146 0.000 2.131 436 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 436 L C 2.628 179.550 176.870 0.087 0.000 1.092 436 L CA 1.735 56.640 54.840 0.108 0.000 0.759 436 L CB -0.372 41.736 42.059 0.081 0.000 0.903 436 L HN 0.450 nan 8.230 nan 0.000 0.435 437 E N -0.474 119.766 120.200 0.067 0.000 2.204 437 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 437 E C 1.345 177.909 176.600 -0.060 0.000 0.989 437 E CA 1.239 57.629 56.400 -0.016 0.000 0.824 437 E CB -0.052 29.606 29.700 -0.071 0.000 0.756 437 E HN 0.434 nan 8.360 nan 0.000 0.477 438 Y N -0.803 119.518 120.300 0.036 0.000 2.461 438 Y HA 0.267 4.817 4.550 -0.000 0.000 0.277 438 Y C 1.301 177.222 175.900 0.034 0.000 1.182 438 Y CA 0.435 58.554 58.100 0.032 0.000 1.276 438 Y CB 0.629 39.107 38.460 0.031 0.000 1.087 438 Y HN 0.132 nan 8.280 nan 0.000 0.519 439 G N 0.689 109.582 108.800 0.156 0.000 2.249 439 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.273 439 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.273 439 G C 0.454 175.423 174.900 0.115 0.000 1.036 439 G CA 0.081 45.249 45.100 0.114 0.000 0.824 439 G HN 0.647 nan 8.290 nan 0.000 0.504 440 A N -0.202 122.697 122.820 0.132 0.000 2.466 440 A HA 0.667 4.987 4.320 -0.000 0.000 0.238 440 A C 1.098 178.724 177.584 0.070 0.000 1.074 440 A CA 0.948 53.044 52.037 0.099 0.000 0.774 440 A CB 0.328 19.393 19.000 0.110 0.000 1.015 440 A HN 2.045 nan 8.150 nan 0.000 0.498 441 S N 0.112 115.842 115.700 0.049 0.000 2.687 441 S HA 0.307 4.777 4.470 -0.000 0.000 0.283 441 S C 0.971 175.580 174.600 0.016 0.000 1.170 441 S CA -0.186 58.035 58.200 0.035 0.000 1.008 441 S CB 0.839 64.058 63.200 0.031 0.000 1.026 441 S HN 0.716 nan 8.310 nan 0.000 0.541 442 C N 0.566 119.868 119.300 0.004 0.000 2.422 442 C HA -0.015 4.445 4.460 -0.000 0.000 0.279 442 C C 2.659 177.630 174.990 -0.032 0.000 1.305 442 C CA 1.042 60.040 59.018 -0.033 0.000 1.757 442 C CB -1.572 26.154 27.740 -0.023 0.000 1.962 442 C HN 1.088 nan 8.230 nan 0.000 0.499 443 E N 1.095 121.293 120.200 -0.002 0.000 2.106 443 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 443 E C 1.459 178.055 176.600 -0.006 0.000 0.984 443 E CA 1.275 57.675 56.400 -0.001 0.000 0.806 443 E CB -0.119 29.591 29.700 0.016 0.000 0.750 443 E HN 0.540 nan 8.360 nan 0.000 0.458 444 D N 0.646 121.048 120.400 0.003 0.000 2.106 444 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 444 D C 2.070 178.381 176.300 0.018 0.000 0.997 444 D CA 1.283 55.286 54.000 0.006 0.000 0.834 444 D CB -0.246 40.561 40.800 0.012 0.000 0.956 444 D HN 0.339 nan 8.370 nan 0.000 0.448 445 I N 1.173 121.755 120.570 0.020 0.000 2.252 445 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 445 I C 2.519 178.662 176.117 0.043 0.000 1.102 445 I CA 0.909 62.245 61.300 0.061 0.000 1.385 445 I CB -0.239 37.752 38.000 -0.013 0.000 1.064 445 I HN -0.092 nan 8.210 nan 0.000 0.414 446 A N 0.735 123.530 122.820 -0.041 0.000 2.024 446 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 446 A C 2.297 179.864 177.584 -0.029 0.000 1.164 446 A CA 1.421 53.416 52.037 -0.070 0.000 0.643 446 A CB -0.521 18.433 19.000 -0.076 0.000 0.806 446 A HN 0.361 nan 8.150 nan 0.000 0.451 447 R N -0.819 119.679 120.500 -0.003 0.000 2.310 447 R HA 0.148 4.488 4.340 -0.000 0.000 0.202 447 R C -0.410 175.910 176.300 0.033 0.000 0.933 447 R CA -0.077 56.023 56.100 -0.000 0.000 1.054 447 R CB 0.069 30.361 30.300 -0.013 0.000 0.985 447 R HN 0.311 nan 8.270 nan 0.000 0.489 448 V N 1.313 121.282 119.914 0.092 0.000 2.488 448 V HA -0.002 4.118 4.120 -0.000 0.000 0.277 448 V C 0.483 176.693 176.094 0.193 0.000 1.046 448 V CA -0.829 61.532 62.300 0.100 0.000 0.986 448 V CB 1.332 33.206 31.823 0.084 0.000 0.989 448 V HN 0.290 nan 8.190 nan 0.000 0.475 449 C N 7.473 126.823 119.300 0.084 0.000 2.667 449 C HA 0.267 4.727 4.460 -0.000 0.000 0.392 449 C C 0.431 175.482 174.990 0.102 0.000 1.332 449 C CA -0.333 58.743 59.018 0.097 0.000 1.594 449 C CB -1.879 25.880 27.740 0.033 0.000 2.345 449 C HN 0.873 nan 8.230 nan 0.000 0.594 450 H N 3.692 122.774 119.070 0.021 0.000 2.467 450 H HA 0.531 5.087 4.556 -0.000 0.000 0.331 450 H C 0.630 175.990 175.328 0.052 0.000 1.120 450 H CA 0.538 56.609 56.048 0.039 0.000 1.270 450 H CB 1.225 31.017 29.762 0.050 0.000 1.466 450 H HN 0.895 nan 8.280 nan 0.000 0.504 451 A N 2.366 125.271 122.820 0.140 0.000 2.531 451 A HA 0.130 4.450 4.320 -0.000 0.000 0.236 451 A C -0.330 177.350 177.584 0.159 0.000 1.062 451 A CA 0.312 52.418 52.037 0.115 0.000 0.760 451 A CB -0.387 18.651 19.000 0.063 0.000 0.995 451 A HN 0.872 nan 8.150 nan 0.000 0.501 452 H N 2.481 121.583 119.070 0.053 0.000 2.489 452 H HA 0.642 5.198 4.556 -0.000 0.000 0.343 452 H C -2.441 172.913 175.328 0.043 0.000 1.086 452 H CA -1.586 54.491 56.048 0.049 0.000 1.198 452 H CB 1.419 31.204 29.762 0.038 0.000 1.490 452 H HN 0.569 nan 8.280 nan 0.000 0.504 453 P HA 0.302 nan 4.420 nan 0.000 0.300 453 P C -1.328 175.884 177.300 -0.146 0.000 1.326 453 P CA -0.599 62.161 63.100 -0.566 0.000 0.844 453 P CB 1.744 33.090 31.700 -0.590 0.000 0.992 454 T N -1.134 113.404 114.554 -0.027 0.000 2.894 454 T HA 0.336 4.686 4.350 -0.000 0.000 0.309 454 T C 1.127 175.891 174.700 0.107 0.000 1.208 454 T CA -0.896 61.233 62.100 0.047 0.000 1.016 454 T CB 0.899 69.814 68.868 0.079 0.000 1.192 454 T HN 0.111 nan 8.240 nan 0.000 0.491 455 L N 1.544 122.846 121.223 0.130 0.000 2.131 455 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 455 L C 3.077 180.113 176.870 0.277 0.000 1.092 455 L CA 1.689 56.675 54.840 0.243 0.000 0.759 455 L CB -0.650 41.496 42.059 0.146 0.000 0.903 455 L HN 0.965 nan 8.230 nan 0.000 0.435 456 S N -0.411 115.405 115.700 0.195 0.000 2.419 456 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 456 S C 1.640 176.334 174.600 0.157 0.000 1.019 456 S CA 1.217 59.552 58.200 0.224 0.000 0.982 456 S CB -0.392 62.972 63.200 0.272 0.000 0.789 456 S HN 0.513 nan 8.310 nan 0.000 0.490 457 E N 1.498 121.742 120.200 0.074 0.000 2.209 457 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 457 E C 2.343 178.768 176.600 -0.291 0.000 0.993 457 E CA 1.022 57.355 56.400 -0.112 0.000 0.819 457 E CB -0.431 29.258 29.700 -0.018 0.000 0.745 457 E HN 0.795 nan 8.360 nan 0.000 0.477 458 A N 0.802 123.514 122.820 -0.180 0.000 1.969 458 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 458 A C 1.889 179.343 177.584 -0.217 0.000 1.169 458 A CA 0.794 52.615 52.037 -0.360 0.000 0.635 458 A CB -0.524 18.307 19.000 -0.282 0.000 0.810 458 A HN 0.330 nan 8.150 nan 0.000 0.445 459 F N 0.441 120.276 119.950 -0.192 0.000 2.206 459 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 459 F C 2.272 177.950 175.800 -0.202 0.000 1.090 459 F CA 1.664 59.591 58.000 -0.120 0.000 1.323 459 F CB -0.202 38.791 39.000 -0.012 0.000 1.028 459 F HN 0.199 nan 8.300 nan 0.000 0.492 460 R N 0.408 120.710 120.500 -0.330 0.000 2.066 460 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 460 R C 2.171 178.230 176.300 -0.401 0.000 1.131 460 R CA 1.750 57.545 56.100 -0.507 0.000 0.955 460 R CB -0.370 29.465 30.300 -0.775 0.000 0.851 460 R HN 0.275 nan 8.270 nan 0.000 0.432 461 E N 0.126 120.050 120.200 -0.460 0.000 2.110 461 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 461 E C 1.831 178.325 176.600 -0.178 0.000 0.988 461 E CA 1.173 57.322 56.400 -0.419 0.000 0.804 461 E CB -0.067 29.038 29.700 -0.991 0.000 0.745 461 E HN 0.465 nan 8.360 nan 0.000 0.458 462 A N 1.626 124.343 122.820 -0.171 0.000 2.015 462 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 462 A C 1.909 179.431 177.584 -0.104 0.000 1.163 462 A CA 0.980 52.994 52.037 -0.037 0.000 0.646 462 A CB -0.272 18.708 19.000 -0.034 0.000 0.806 462 A HN 0.135 nan 8.150 nan 0.000 0.448 463 N N -0.430 118.128 118.700 -0.237 0.000 2.250 463 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 463 N C 1.662 177.114 175.510 -0.098 0.000 1.017 463 N CA 1.264 54.184 53.050 -0.218 0.000 0.866 463 N CB -0.181 38.090 38.487 -0.360 0.000 0.985 463 N HN 0.439 nan 8.380 nan 0.000 0.429 464 L N 1.533 122.702 121.223 -0.090 0.000 2.056 464 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 464 L C 2.194 179.118 176.870 0.089 0.000 1.078 464 L CA 1.484 56.318 54.840 -0.011 0.000 0.749 464 L CB -0.842 41.189 42.059 -0.047 0.000 0.901 464 L HN 0.034 nan 8.230 nan 0.000 0.433 465 A N -0.312 122.560 122.820 0.087 0.000 1.908 465 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 465 A C 2.421 180.058 177.584 0.090 0.000 1.181 465 A CA 1.848 53.962 52.037 0.129 0.000 0.627 465 A CB -1.176 17.918 19.000 0.156 0.000 0.818 465 A HN 0.588 nan 8.150 nan 0.000 0.445 466 A N -1.369 121.485 122.820 0.056 0.000 2.014 466 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 466 A C 2.377 179.990 177.584 0.048 0.000 1.163 466 A CA 1.984 54.048 52.037 0.045 0.000 0.652 466 A CB -0.532 18.485 19.000 0.028 0.000 0.808 466 A HN 0.526 nan 8.150 nan 0.000 0.449 467 S N -2.027 113.710 115.700 0.063 0.000 2.398 467 S HA 0.041 4.511 4.470 -0.000 0.000 0.220 467 S C 1.579 176.260 174.600 0.134 0.000 1.046 467 S CA 1.006 59.254 58.200 0.079 0.000 0.953 467 S CB -0.343 62.897 63.200 0.068 0.000 0.856 467 S HN 0.561 nan 8.310 nan 0.000 0.506 468 F N 1.110 121.054 119.950 -0.009 0.000 2.569 468 F HA 0.357 4.884 4.527 -0.000 0.000 0.295 468 F C 1.539 177.339 175.800 -0.001 0.000 1.115 468 F CA 1.268 59.265 58.000 -0.006 0.000 1.450 468 F CB 0.245 39.240 39.000 -0.009 0.000 1.107 468 F HN 0.415 nan 8.300 nan 0.000 0.563 469 G N 0.809 109.598 108.800 -0.019 0.000 2.284 469 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 469 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 469 G C 0.266 175.151 174.900 -0.025 0.000 1.009 469 G CA 0.047 45.078 45.100 -0.115 0.000 0.625 469 G HN 0.403 nan 8.290 nan 0.000 0.501 470 K N 0.535 121.005 120.400 0.116 0.000 2.469 470 K HA 0.655 4.975 4.320 -0.000 0.000 0.254 470 K C -0.042 176.738 176.600 0.300 0.000 0.939 470 K CA -0.135 56.269 56.287 0.195 0.000 0.812 470 K CB 2.290 34.897 32.500 0.178 0.000 1.301 470 K HN 0.413 nan 8.250 nan 0.000 0.433 471 S N 1.007 116.850 115.700 0.238 0.000 2.758 471 S HA 0.404 4.874 4.470 -0.000 0.000 0.292 471 S C 0.968 175.683 174.600 0.192 0.000 1.131 471 S CA -0.801 57.532 58.200 0.222 0.000 0.997 471 S CB 0.629 64.046 63.200 0.361 0.000 1.111 471 S HN 0.454 nan 8.310 nan 0.000 0.552 472 I N 0.912 121.564 120.570 0.136 0.000 2.494 472 I HA 0.033 4.203 4.170 -0.000 0.000 0.250 472 I C 1.379 177.597 176.117 0.169 0.000 1.112 472 I CA 0.805 62.168 61.300 0.105 0.000 1.438 472 I CB -1.352 36.663 38.000 0.026 0.000 1.111 472 I HN 0.646 nan 8.210 nan 0.000 0.431 473 N N -0.161 118.712 118.700 0.289 0.000 2.322 473 N HA 0.066 4.806 4.740 -0.000 0.000 0.194 473 N C -0.101 175.672 175.510 0.439 0.000 1.126 473 N CA 0.192 53.460 53.050 0.363 0.000 0.845 473 N CB 0.793 39.523 38.487 0.405 0.000 0.976 473 N HN 0.156 nan 8.380 nan 0.000 0.475 474 F N 0.000 120.068 119.950 0.197 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.990 58.000 -0.016 0.000 1.383 474 F CB 0.000 38.802 39.000 -0.330 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574