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 2nq5_1_A DATA FIRST_RESID 1 DATA SEQUENCE LTKVSSLGYP RLGENREWKK LIEAYWAGKV SKNDLFAGAK ELRLDFLKKQ DATA SEQUENCE LNAGLDLIPV GDFSLYDHIL DLSVQFNIIP KRFAKEPIDI DLYFAIARGN DATA SEQUENCE KENVASSMKK WFNTNYHYIV PEWSKQRPKL NNNRLLDLYL EAREVVGDKA DATA SEQUENCE KPVITGPITY VALSTGVEDF TAAVKSLLPL YKQVFTELVK AGASYIQVDE DATA SEQUENCE PIFVTDEGKD YLQAAKAVYA YFAKEVPDAK FIFQTYFEGL IDSQVLSQLP DATA SEQUENCE VDAFGLDFVY GLEENLEAIK TGAFKGKEIF AGVIDGRNIW SSDFVKTSAL DATA SEQUENCE LETIEEQSAA LTIQPSCSLL HVPVTTKNET DLDPVLRNGL AFADEKLTEV DATA SEQUENCE KRLAEHLDGR EDPAYDLHIA HFDALQAADF RNVKLEDLSR VATKRPSDFA DATA SEQUENCE KRRDIQQEKL HLPLLPTTTI GSFPQXXXXX XXXXXXXXXX XXDAEYKQFI DATA SEQUENCE QAEIERWIRI QEDLDLDVLV HGEFERVDMV EFFGQKLAGF TTTKFGWVQS DATA SEQUENCE YGSRAVKPPI IYGDVQHLEP ITVEETVYAQ SLTDRPVKGM LTGPITITNW DATA SEQUENCE SFERTDIPRD QLFNQIGLAI KDEIKLLENA GIAIIQVDEA ALREGLPLRK DATA SEQUENCE SKQKAYLDDA VHAFHIATSS VKDETQIHTH McYSKFDEII DAIRALDADV DATA SEQUENCE ISIXXXXXXX XXXXXXXXXX XXLGIGLGVY DIHSPRVPTK EEVVANIERP DATA SEQUENCE LRQLSPTQFW VNPDcGLKTR QEPETIAALK VLVAATKEVR QK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.829 176.870 -0.069 0.000 1.165 1 L CA 0.000 54.807 54.840 -0.054 0.000 0.813 1 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 2 T N 2.336 116.838 114.554 -0.087 0.000 2.738 2 T HA 0.277 4.622 4.350 -0.009 0.000 0.293 2 T C 0.336 174.961 174.700 -0.124 0.000 0.913 2 T CA 0.065 62.098 62.100 -0.112 0.000 1.103 2 T CB 0.571 69.367 68.868 -0.119 0.000 0.880 2 T HN 0.189 nan 8.240 nan 0.000 0.526 3 K N 2.063 122.369 120.400 -0.156 0.000 2.380 3 K HA 0.338 4.652 4.320 -0.009 0.000 0.267 3 K C 0.243 176.733 176.600 -0.183 0.000 0.990 3 K CA -0.437 55.747 56.287 -0.171 0.000 0.946 3 K CB 0.530 32.889 32.500 -0.236 0.000 0.937 3 K HN 0.471 nan 8.250 nan 0.000 0.491 4 V N -1.682 118.155 119.914 -0.128 0.000 2.604 4 V HA 0.717 4.832 4.120 -0.009 0.000 0.305 4 V C -0.345 175.714 176.094 -0.058 0.000 1.043 4 V CA -0.575 61.671 62.300 -0.090 0.000 0.888 4 V CB 1.724 33.517 31.823 -0.050 0.000 0.995 4 V HN 0.771 nan 8.190 nan 0.000 0.429 5 S N 2.338 118.025 115.700 -0.021 0.000 2.880 5 S HA 0.892 5.357 4.470 -0.009 0.000 0.308 5 S C -0.795 173.846 174.600 0.068 0.000 1.195 5 S CA 0.153 58.377 58.200 0.040 0.000 0.866 5 S CB 1.941 65.207 63.200 0.111 0.000 1.254 5 S HN 1.764 nan 8.310 nan 0.000 0.571 6 S N -0.292 115.461 115.700 0.088 0.000 2.552 6 S HA 0.524 4.989 4.470 -0.009 0.000 0.272 6 S C -0.597 174.046 174.600 0.071 0.000 1.150 6 S CA -0.514 57.735 58.200 0.081 0.000 0.849 6 S CB 1.035 64.280 63.200 0.075 0.000 1.113 6 S HN 0.494 nan 8.310 nan 0.000 0.458 7 L N 2.749 123.996 121.223 0.041 0.000 2.307 7 L HA 0.524 4.859 4.340 -0.009 0.000 0.211 7 L C 1.381 178.235 176.870 -0.027 0.000 1.099 7 L CA 1.442 56.281 54.840 -0.001 0.000 0.816 7 L CB -0.339 41.676 42.059 -0.073 0.000 0.952 7 L HN 0.823 nan 8.230 nan 0.000 0.455 8 G N -2.871 105.916 108.800 -0.021 0.000 2.441 8 G HA2 0.395 4.349 3.960 -0.009 0.000 0.294 8 G HA3 0.395 4.349 3.960 -0.009 0.000 0.294 8 G C -2.351 172.567 174.900 0.031 0.000 1.393 8 G CA -0.392 44.689 45.100 -0.032 0.000 0.796 8 G HN -0.267 nan 8.290 nan 0.000 0.494 9 Y N -0.125 120.067 120.300 -0.180 0.000 2.571 9 Y HA 0.656 5.201 4.550 -0.009 0.000 0.341 9 Y C -2.508 173.184 175.900 -0.347 0.000 1.076 9 Y CA -1.810 56.148 58.100 -0.236 0.000 1.029 9 Y CB 2.551 40.881 38.460 -0.218 0.000 1.308 9 Y HN 0.523 nan 8.280 nan 0.000 0.461 10 P HA 0.244 nan 4.420 nan 0.000 0.269 10 P C -0.460 176.429 177.300 -0.686 0.000 1.217 10 P CA 0.289 62.943 63.100 -0.745 0.000 0.783 10 P CB 0.815 32.058 31.700 -0.762 0.000 0.898 11 R N 0.733 120.877 120.500 -0.593 0.000 2.254 11 R HA 0.200 4.535 4.340 -0.009 0.000 0.193 11 R C 1.960 178.046 176.300 -0.358 0.000 0.929 11 R CA 0.195 55.975 56.100 -0.533 0.000 1.038 11 R CB -0.455 29.052 30.300 -1.322 0.000 1.009 11 R HN 0.355 nan 8.270 nan 0.000 0.512 12 L N 0.478 121.513 121.223 -0.313 0.000 2.043 12 L HA -0.080 4.255 4.340 -0.009 0.000 0.212 12 L C 1.001 178.032 176.870 0.267 0.000 1.075 12 L CA 1.343 56.223 54.840 0.067 0.000 0.752 12 L CB -0.962 41.114 42.059 0.029 0.000 0.891 12 L HN 0.434 nan 8.230 nan 0.000 0.432 13 G N -0.572 108.384 108.800 0.260 0.000 2.690 13 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.686 13 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.686 13 G C 0.154 175.175 174.900 0.202 0.000 1.277 13 G CA -0.120 45.208 45.100 0.380 0.000 0.799 13 G HN 0.259 nan 8.290 nan 0.000 0.613 14 E N 0.219 120.530 120.200 0.186 0.000 2.171 14 E HA -0.157 4.188 4.350 -0.009 0.000 0.197 14 E C 1.336 177.968 176.600 0.054 0.000 0.997 14 E CA 1.407 57.868 56.400 0.103 0.000 0.810 14 E CB -0.018 29.721 29.700 0.065 0.000 0.738 14 E HN 0.431 nan 8.360 nan 0.000 0.467 15 N N -0.077 118.652 118.700 0.048 0.000 2.416 15 N HA 0.151 4.885 4.740 -0.009 0.000 0.267 15 N C -0.778 174.744 175.510 0.020 0.000 1.294 15 N CA -0.028 53.030 53.050 0.012 0.000 0.891 15 N CB 0.929 39.394 38.487 -0.037 0.000 1.238 15 N HN 0.017 nan 8.380 nan 0.000 0.508 16 R N 0.426 120.958 120.500 0.054 0.000 3.525 16 R HA -0.179 4.156 4.340 -0.009 0.000 0.276 16 R C 0.268 176.609 176.300 0.069 0.000 1.116 16 R CA 0.456 56.580 56.100 0.039 0.000 0.745 16 R CB -1.397 28.814 30.300 -0.149 0.000 1.185 16 R HN 0.264 nan 8.270 nan 0.000 0.454 17 E N -0.646 119.627 120.200 0.122 0.000 2.153 17 E HA -0.189 4.156 4.350 -0.009 0.000 0.194 17 E C 1.432 178.117 176.600 0.142 0.000 0.988 17 E CA 1.628 58.086 56.400 0.098 0.000 0.811 17 E CB -0.109 29.653 29.700 0.103 0.000 0.746 17 E HN 0.576 nan 8.360 nan 0.000 0.466 18 W N 2.043 123.371 121.300 0.048 0.000 2.358 18 W HA -0.184 4.471 4.660 -0.008 0.000 0.303 18 W C 2.142 178.630 176.519 -0.050 0.000 1.208 18 W CA 1.911 59.294 57.345 0.063 0.000 1.274 18 W CB -0.059 29.501 29.460 0.167 0.000 1.138 18 W HN -0.069 nan 8.180 nan 0.000 0.515 19 K N 0.706 121.166 120.400 0.099 0.000 2.002 19 K HA -0.237 4.078 4.320 -0.009 0.000 0.209 19 K C 2.032 178.443 176.600 -0.316 0.000 1.048 19 K CA 2.047 58.222 56.287 -0.186 0.000 0.930 19 K CB -0.367 32.096 32.500 -0.062 0.000 0.714 19 K HN 0.079 nan 8.250 nan 0.000 0.438 20 K N 0.518 120.801 120.400 -0.195 0.000 2.063 20 K HA -0.170 4.144 4.320 -0.009 0.000 0.208 20 K C 2.168 178.614 176.600 -0.256 0.000 1.048 20 K CA 1.344 57.514 56.287 -0.195 0.000 0.928 20 K CB -0.227 32.203 32.500 -0.117 0.000 0.713 20 K HN 0.115 nan 8.250 nan 0.000 0.442 21 L N 1.810 122.878 121.223 -0.259 0.000 1.994 21 L HA -0.143 4.191 4.340 -0.009 0.000 0.208 21 L C 2.082 178.680 176.870 -0.453 0.000 1.071 21 L CA 1.502 56.175 54.840 -0.278 0.000 0.745 21 L CB -0.358 41.584 42.059 -0.196 0.000 0.892 21 L HN 0.242 nan 8.230 nan 0.000 0.431 22 I N -3.608 116.523 120.570 -0.733 0.000 2.439 22 I HA -0.151 4.014 4.170 -0.009 0.000 0.251 22 I C 1.997 177.151 176.117 -1.604 0.000 1.139 22 I CA 1.300 61.918 61.300 -1.137 0.000 1.438 22 I CB -0.781 36.420 38.000 -1.333 0.000 1.085 22 I HN 0.311 nan 8.210 nan 0.000 0.427 23 E N 1.909 121.434 120.200 -1.124 0.000 2.106 23 E HA -0.117 4.228 4.350 -0.009 0.000 0.192 23 E C 2.458 178.823 176.600 -0.391 0.000 0.984 23 E CA 1.226 57.197 56.400 -0.714 0.000 0.806 23 E CB -0.131 29.371 29.700 -0.331 0.000 0.750 23 E HN 0.673 nan 8.360 nan 0.000 0.458 24 A N 0.810 123.423 122.820 -0.344 0.000 1.930 24 A HA -0.206 4.109 4.320 -0.009 0.000 0.217 24 A C 2.005 179.475 177.584 -0.189 0.000 1.175 24 A CA 1.181 53.097 52.037 -0.202 0.000 0.627 24 A CB -0.671 18.233 19.000 -0.161 0.000 0.815 24 A HN 0.374 nan 8.150 nan 0.000 0.443 25 Y N -0.477 119.589 120.300 -0.390 0.000 2.145 25 Y HA -0.233 4.312 4.550 -0.009 0.000 0.286 25 Y C 2.128 177.931 175.900 -0.162 0.000 1.145 25 Y CA 1.770 59.686 58.100 -0.306 0.000 1.148 25 Y CB -0.350 37.865 38.460 -0.407 0.000 0.981 25 Y HN 0.469 nan 8.280 nan 0.000 0.507 26 W N -0.148 120.974 121.300 -0.296 0.000 2.374 26 W HA -0.032 4.623 4.660 -0.009 0.000 0.288 26 W C 2.505 178.862 176.519 -0.270 0.000 1.218 26 W CA 1.258 58.403 57.345 -0.334 0.000 1.245 26 W CB -1.491 27.808 29.460 -0.269 0.000 1.126 26 W HN 0.252 nan 8.180 nan 0.000 0.545 27 A N -0.298 122.512 122.820 -0.016 0.000 2.238 27 A HA 0.390 4.705 4.320 -0.009 0.000 0.208 27 A C 1.810 179.340 177.584 -0.090 0.000 1.177 27 A CA 1.144 53.157 52.037 -0.040 0.000 0.804 27 A CB -0.858 18.120 19.000 -0.035 0.000 0.823 27 A HN 0.536 nan 8.150 nan 0.000 0.482 28 G N -0.537 108.163 108.800 -0.166 0.000 2.160 28 G HA2 -0.224 3.731 3.960 -0.009 0.000 0.244 28 G HA3 -0.224 3.731 3.960 -0.009 0.000 0.244 28 G C 0.541 175.374 174.900 -0.113 0.000 1.022 28 G CA 0.554 45.553 45.100 -0.168 0.000 0.741 28 G HN 0.373 nan 8.290 nan 0.000 0.508 29 K N -0.722 119.614 120.400 -0.106 0.000 2.374 29 K HA 0.468 4.782 4.320 -0.009 0.000 0.202 29 K C 0.336 176.903 176.600 -0.055 0.000 1.040 29 K CA 0.080 56.326 56.287 -0.070 0.000 1.085 29 K CB 1.605 34.066 32.500 -0.065 0.000 0.873 29 K HN 0.404 nan 8.250 nan 0.000 0.539 30 V N 1.769 121.655 119.914 -0.046 0.000 2.668 30 V HA 0.182 4.297 4.120 -0.009 0.000 0.304 30 V C -0.039 176.108 176.094 0.088 0.000 1.071 30 V CA -1.014 61.289 62.300 0.005 0.000 0.894 30 V CB 2.130 33.949 31.823 -0.007 0.000 1.008 30 V HN 0.280 nan 8.190 nan 0.000 0.425 31 S N 4.162 119.903 115.700 0.068 0.000 2.624 31 S HA 0.354 4.818 4.470 -0.009 0.000 0.263 31 S C 0.971 175.636 174.600 0.107 0.000 1.287 31 S CA -0.386 57.877 58.200 0.106 0.000 0.990 31 S CB 1.057 64.292 63.200 0.058 0.000 0.950 31 S HN 0.667 nan 8.310 nan 0.000 0.561 32 K N 1.024 121.496 120.400 0.119 0.000 2.032 32 K HA -0.153 4.162 4.320 -0.009 0.000 0.209 32 K C 2.147 178.671 176.600 -0.126 0.000 1.048 32 K CA 1.888 58.104 56.287 -0.118 0.000 0.927 32 K CB -0.512 32.039 32.500 0.085 0.000 0.712 32 K HN 0.639 nan 8.250 nan 0.000 0.441 33 N N 0.565 119.304 118.700 0.066 0.000 2.061 33 N HA -0.178 4.556 4.740 -0.009 0.000 0.193 33 N C 1.263 176.802 175.510 0.048 0.000 1.030 33 N CA 1.293 54.409 53.050 0.111 0.000 0.856 33 N CB -0.022 38.514 38.487 0.081 0.000 1.023 33 N HN 0.177 nan 8.380 nan 0.000 0.424 34 D N 0.578 120.974 120.400 -0.006 0.000 2.234 34 D HA -0.070 4.565 4.640 -0.009 0.000 0.205 34 D C 1.936 178.189 176.300 -0.080 0.000 0.962 34 D CA 0.212 54.197 54.000 -0.025 0.000 0.855 34 D CB -0.117 40.672 40.800 -0.019 0.000 0.951 34 D HN 0.169 nan 8.370 nan 0.000 0.500 35 L N 0.069 121.173 121.223 -0.198 0.000 1.976 35 L HA -0.139 4.195 4.340 -0.009 0.000 0.209 35 L C 1.919 178.645 176.870 -0.239 0.000 1.071 35 L CA 1.684 56.321 54.840 -0.339 0.000 0.746 35 L CB -0.822 40.789 42.059 -0.747 0.000 0.890 35 L HN -0.151 nan 8.230 nan 0.000 0.432 36 F N 0.292 120.203 119.950 -0.065 0.000 2.171 36 F HA -0.059 4.462 4.527 -0.009 0.000 0.300 36 F C 2.569 178.343 175.800 -0.043 0.000 1.090 36 F CA 1.030 59.003 58.000 -0.045 0.000 1.293 36 F CB -1.601 37.368 39.000 -0.053 0.000 1.013 36 F HN 0.227 nan 8.300 nan 0.000 0.486 37 A N 0.230 123.123 122.820 0.123 0.000 1.898 37 A HA 0.004 4.319 4.320 -0.009 0.000 0.216 37 A C 2.595 180.179 177.584 0.000 0.000 1.181 37 A CA 1.678 53.742 52.037 0.045 0.000 0.620 37 A CB -1.519 17.497 19.000 0.026 0.000 0.819 37 A HN 0.387 nan 8.150 nan 0.000 0.442 38 G N -0.729 108.068 108.800 -0.006 0.000 2.422 38 G HA2 0.091 4.046 3.960 -0.009 0.000 0.218 38 G HA3 0.091 4.046 3.960 -0.009 0.000 0.218 38 G C 1.656 176.554 174.900 -0.004 0.000 1.140 38 G CA 1.229 46.318 45.100 -0.017 0.000 0.775 38 G HN 0.740 nan 8.290 nan 0.000 0.545 39 A N 0.682 123.531 122.820 0.048 0.000 1.929 39 A HA 0.076 4.391 4.320 -0.009 0.000 0.216 39 A C 2.174 179.649 177.584 -0.181 0.000 1.176 39 A CA 1.973 54.070 52.037 0.101 0.000 0.628 39 A CB -0.342 18.849 19.000 0.319 0.000 0.816 39 A HN 0.387 nan 8.150 nan 0.000 0.444 40 K N -0.000 120.331 120.400 -0.114 0.000 2.057 40 K HA -0.197 4.118 4.320 -0.009 0.000 0.206 40 K C 2.016 178.471 176.600 -0.242 0.000 1.050 40 K CA 1.634 57.811 56.287 -0.184 0.000 0.935 40 K CB -0.172 32.273 32.500 -0.091 0.000 0.715 40 K HN 0.604 nan 8.250 nan 0.000 0.439 41 E N 0.631 120.720 120.200 -0.186 0.000 2.085 41 E HA -0.209 4.136 4.350 -0.009 0.000 0.194 41 E C 2.002 178.409 176.600 -0.322 0.000 0.994 41 E CA 1.221 57.506 56.400 -0.193 0.000 0.801 41 E CB -0.070 29.558 29.700 -0.120 0.000 0.743 41 E HN 0.339 nan 8.360 nan 0.000 0.453 42 L N 0.229 121.208 121.223 -0.408 0.000 2.027 42 L HA -0.151 4.184 4.340 -0.009 0.000 0.206 42 L C 2.881 178.941 176.870 -1.350 0.000 1.074 42 L CA 1.288 55.663 54.840 -0.775 0.000 0.745 42 L CB -0.400 41.371 42.059 -0.479 0.000 0.898 42 L HN 0.100 nan 8.230 nan 0.000 0.433 43 R N 0.062 119.960 120.500 -1.003 0.000 2.091 43 R HA -0.165 4.170 4.340 -0.009 0.000 0.238 43 R C 2.265 178.286 176.300 -0.465 0.000 1.136 43 R CA 1.340 56.980 56.100 -0.766 0.000 0.959 43 R CB -0.516 29.409 30.300 -0.624 0.000 0.856 43 R HN 0.356 nan 8.270 nan 0.000 0.437 44 L N 0.491 121.486 121.223 -0.379 0.000 2.093 44 L HA -0.174 4.161 4.340 -0.009 0.000 0.208 44 L C 1.767 178.511 176.870 -0.210 0.000 1.085 44 L CA 1.025 55.724 54.840 -0.235 0.000 0.755 44 L CB -0.505 41.444 42.059 -0.184 0.000 0.904 44 L HN 0.131 nan 8.230 nan 0.000 0.435 45 D N -0.035 120.192 120.400 -0.288 0.000 2.144 45 D HA -0.145 4.490 4.640 -0.009 0.000 0.200 45 D C 2.109 178.398 176.300 -0.019 0.000 0.978 45 D CA 1.239 55.144 54.000 -0.159 0.000 0.833 45 D CB -0.059 40.648 40.800 -0.156 0.000 0.961 45 D HN 0.181 nan 8.370 nan 0.000 0.470 46 F N 0.780 120.647 119.950 -0.138 0.000 2.146 46 F HA 0.017 4.539 4.527 -0.008 0.000 0.298 46 F C 2.443 178.039 175.800 -0.339 0.000 1.096 46 F CA 0.180 57.999 58.000 -0.302 0.000 1.275 46 F CB -1.211 37.652 39.000 -0.228 0.000 1.008 46 F HN -0.058 nan 8.300 nan 0.000 0.480 47 L N -0.064 121.138 121.223 -0.036 0.000 2.046 47 L HA -0.229 4.106 4.340 -0.009 0.000 0.208 47 L C 2.362 179.187 176.870 -0.075 0.000 1.077 47 L CA 1.462 56.261 54.840 -0.069 0.000 0.747 47 L CB -0.635 41.382 42.059 -0.070 0.000 0.896 47 L HN 0.090 nan 8.230 nan 0.000 0.432 48 K N -0.033 120.327 120.400 -0.068 0.000 2.097 48 K HA -0.165 4.150 4.320 -0.009 0.000 0.205 48 K C 2.125 178.697 176.600 -0.046 0.000 1.050 48 K CA 1.120 57.377 56.287 -0.052 0.000 0.938 48 K CB -0.052 32.421 32.500 -0.046 0.000 0.718 48 K HN 0.239 nan 8.250 nan 0.000 0.442 49 K N 1.014 121.379 120.400 -0.058 0.000 2.057 49 K HA -0.168 4.147 4.320 -0.009 0.000 0.207 49 K C 2.210 178.764 176.600 -0.076 0.000 1.049 49 K CA 1.465 57.718 56.287 -0.056 0.000 0.931 49 K CB 0.007 32.462 32.500 -0.075 0.000 0.714 49 K HN 0.195 nan 8.250 nan 0.000 0.440 50 Q N 0.415 120.135 119.800 -0.132 0.000 2.172 50 Q HA -0.120 4.215 4.340 -0.009 0.000 0.200 50 Q C 2.078 178.051 176.000 -0.045 0.000 0.964 50 Q CA 0.757 56.503 55.803 -0.095 0.000 0.855 50 Q CB -0.009 28.653 28.738 -0.127 0.000 0.918 50 Q HN 0.169 nan 8.270 nan 0.000 0.444 51 L N 1.042 122.238 121.223 -0.044 0.000 2.027 51 L HA -0.119 4.216 4.340 -0.009 0.000 0.206 51 L C 1.500 178.360 176.870 -0.017 0.000 1.074 51 L CA 1.659 56.483 54.840 -0.027 0.000 0.745 51 L CB -0.356 41.685 42.059 -0.030 0.000 0.898 51 L HN 0.107 nan 8.230 nan 0.000 0.433 52 N N 0.214 118.904 118.700 -0.016 0.000 2.381 52 N HA -0.064 4.671 4.740 -0.009 0.000 0.182 52 N C 1.624 177.137 175.510 0.006 0.000 1.025 52 N CA 1.152 54.200 53.050 -0.004 0.000 0.888 52 N CB -0.293 38.193 38.487 -0.001 0.000 0.965 52 N HN 0.534 nan 8.380 nan 0.000 0.438 53 A N -0.141 122.683 122.820 0.006 0.000 2.208 53 A HA 0.370 4.685 4.320 -0.009 0.000 0.209 53 A C 1.527 179.121 177.584 0.017 0.000 1.161 53 A CA 0.917 52.966 52.037 0.021 0.000 0.782 53 A CB -0.225 18.791 19.000 0.027 0.000 0.816 53 A HN 0.303 nan 8.150 nan 0.000 0.477 54 G N -1.838 106.966 108.800 0.006 0.000 2.141 54 G HA2 -0.152 3.803 3.960 -0.009 0.000 0.231 54 G HA3 -0.152 3.803 3.960 -0.009 0.000 0.231 54 G C -0.098 174.799 174.900 -0.004 0.000 0.984 54 G CA 0.035 45.135 45.100 0.001 0.000 0.660 54 G HN 0.332 nan 8.290 nan 0.000 0.525 55 L N 1.372 122.593 121.223 -0.003 0.000 2.490 55 L HA 0.304 4.639 4.340 -0.009 0.000 0.274 55 L C 1.391 178.257 176.870 -0.008 0.000 1.201 55 L CA 0.749 55.585 54.840 -0.005 0.000 0.869 55 L CB 0.612 42.672 42.059 0.001 0.000 1.123 55 L HN 0.196 nan 8.230 nan 0.000 0.484 56 D N 2.719 123.109 120.400 -0.017 0.000 2.327 56 D HA 0.114 4.749 4.640 -0.009 0.000 0.205 56 D C 0.063 176.365 176.300 0.004 0.000 0.989 56 D CA 0.881 54.872 54.000 -0.014 0.000 0.873 56 D CB 0.590 41.366 40.800 -0.040 0.000 0.955 56 D HN 0.264 nan 8.370 nan 0.000 0.515 57 L N 1.822 123.048 121.223 0.005 0.000 2.471 57 L HA 0.406 4.740 4.340 -0.009 0.000 0.263 57 L C -0.715 176.186 176.870 0.051 0.000 0.985 57 L CA -0.365 54.498 54.840 0.039 0.000 0.868 57 L CB 2.349 44.423 42.059 0.025 0.000 1.203 57 L HN -0.272 nan 8.230 nan 0.000 0.429 58 I N 5.574 126.177 120.570 0.054 0.000 2.315 58 I HA 0.295 4.460 4.170 -0.009 0.000 0.291 58 I C -1.862 174.296 176.117 0.068 0.000 1.006 58 I CA -1.886 59.440 61.300 0.044 0.000 1.265 58 I CB 1.599 39.610 38.000 0.019 0.000 1.387 58 I HN 0.282 nan 8.210 nan 0.000 0.475 59 P HA 0.010 nan 4.420 nan 0.000 0.268 59 P C -0.805 176.551 177.300 0.094 0.000 1.204 59 P CA 0.085 63.233 63.100 0.079 0.000 0.768 59 P CB 1.835 33.573 31.700 0.064 0.000 0.842 60 V N 2.798 122.785 119.914 0.120 0.000 2.612 60 V HA 0.673 4.788 4.120 -0.009 0.000 0.301 60 V C 0.498 176.681 176.094 0.148 0.000 1.059 60 V CA 0.684 63.067 62.300 0.139 0.000 0.886 60 V CB 1.023 32.944 31.823 0.163 0.000 1.007 60 V HN 0.861 nan 8.190 nan 0.000 0.426 61 G N 4.925 113.815 108.800 0.151 0.000 2.813 61 G HA2 -0.146 3.809 3.960 -0.009 0.000 0.194 61 G HA3 -0.146 3.809 3.960 -0.009 0.000 0.194 61 G C 0.538 175.517 174.900 0.131 0.000 1.010 61 G CA 0.358 45.543 45.100 0.142 0.000 0.771 61 G HN 0.906 nan 8.290 nan 0.000 0.485 62 D N 0.448 120.912 120.400 0.107 0.000 2.317 62 D HA 0.096 4.731 4.640 -0.009 0.000 0.211 62 D C 1.108 177.447 176.300 0.065 0.000 0.966 62 D CA -0.222 53.794 54.000 0.028 0.000 0.876 62 D CB -0.041 40.711 40.800 -0.079 0.000 0.927 62 D HN 0.345 nan 8.370 nan 0.000 0.519 63 F N 1.912 121.893 119.950 0.051 0.000 2.553 63 F HA 0.263 4.785 4.527 -0.008 0.000 0.356 63 F C 0.192 176.065 175.800 0.122 0.000 1.142 63 F CA 0.186 58.238 58.000 0.087 0.000 1.322 63 F CB 0.949 40.046 39.000 0.160 0.000 1.126 63 F HN -0.125 nan 8.300 nan 0.000 0.599 64 S N 4.655 119.876 115.700 -0.797 0.000 2.596 64 S HA 0.454 4.919 4.470 -0.009 0.000 0.270 64 S C -0.151 174.332 174.600 -0.196 0.000 1.155 64 S CA -0.887 57.133 58.200 -0.300 0.000 0.827 64 S CB 1.091 64.326 63.200 0.059 0.000 1.130 64 S HN 0.754 nan 8.310 nan 0.000 0.467 65 L N 2.065 123.411 121.223 0.205 0.000 2.592 65 L HA 0.348 4.683 4.340 -0.009 0.000 0.227 65 L C 0.514 177.907 176.870 0.871 0.000 1.127 65 L CA 0.455 55.587 54.840 0.486 0.000 0.884 65 L CB -0.069 42.141 42.059 0.253 0.000 1.065 65 L HN 0.858 nan 8.230 nan 0.000 0.457 66 Y N -1.171 119.570 120.300 0.734 0.000 3.222 66 Y HA 0.101 4.645 4.550 -0.009 0.000 0.175 66 Y C -0.895 175.311 175.900 0.511 0.000 1.017 66 Y CA -0.592 57.919 58.100 0.686 0.000 1.751 66 Y CB 0.907 39.713 38.460 0.577 0.000 1.390 66 Y HN 0.075 nan 8.280 nan 0.000 0.326 67 D N -0.925 119.855 120.400 0.633 0.000 2.886 67 D HA 0.178 4.813 4.640 -0.009 0.000 0.216 67 D C 0.320 176.797 176.300 0.295 0.000 1.256 67 D CA -0.234 54.024 54.000 0.428 0.000 0.844 67 D CB 0.792 41.818 40.800 0.377 0.000 1.669 67 D HN 0.360 nan 8.370 nan 0.000 0.513 68 H N 3.333 122.515 119.070 0.187 0.000 2.491 68 H HA -0.034 4.517 4.556 -0.009 0.000 0.290 68 H C 1.308 176.734 175.328 0.163 0.000 1.050 68 H CA 0.565 56.679 56.048 0.109 0.000 1.309 68 H CB 0.144 29.898 29.762 -0.013 0.000 1.392 68 H HN 0.354 nan 8.280 nan 0.000 0.554 69 I N 0.900 121.424 120.570 -0.077 0.000 2.480 69 I HA -0.142 4.023 4.170 -0.009 0.000 0.251 69 I C 2.501 178.760 176.117 0.237 0.000 1.124 69 I CA 0.352 61.765 61.300 0.189 0.000 1.444 69 I CB -0.792 37.361 38.000 0.255 0.000 1.098 69 I HN 0.216 nan 8.210 nan 0.000 0.428 70 L N 1.332 122.658 121.223 0.172 0.000 2.131 70 L HA -0.188 4.147 4.340 -0.009 0.000 0.210 70 L C 1.961 178.923 176.870 0.153 0.000 1.092 70 L CA 1.889 56.788 54.840 0.098 0.000 0.759 70 L CB -0.810 41.211 42.059 -0.064 0.000 0.903 70 L HN 0.137 nan 8.230 nan 0.000 0.435 71 D N -0.297 120.240 120.400 0.228 0.000 2.104 71 D HA -0.216 4.419 4.640 -0.009 0.000 0.194 71 D C 2.281 178.516 176.300 -0.108 0.000 0.994 71 D CA 1.806 55.895 54.000 0.148 0.000 0.830 71 D CB -0.212 40.647 40.800 0.097 0.000 0.959 71 D HN 0.396 nan 8.370 nan 0.000 0.452 72 L N 0.495 121.594 121.223 -0.205 0.000 2.093 72 L HA -0.110 4.225 4.340 -0.009 0.000 0.208 72 L C 2.517 179.054 176.870 -0.554 0.000 1.085 72 L CA 0.682 55.111 54.840 -0.685 0.000 0.755 72 L CB -0.346 41.310 42.059 -0.672 0.000 0.904 72 L HN -0.064 nan 8.230 nan 0.000 0.435 73 S N -0.202 115.441 115.700 -0.095 0.000 2.356 73 S HA -0.153 4.312 4.470 -0.009 0.000 0.223 73 S C 2.043 176.599 174.600 -0.072 0.000 1.032 73 S CA 1.291 59.503 58.200 0.020 0.000 1.005 73 S CB -0.230 63.033 63.200 0.105 0.000 0.867 73 S HN 0.160 nan 8.310 nan 0.000 0.449 74 V N 1.698 121.573 119.914 -0.065 0.000 2.358 74 V HA -0.175 3.940 4.120 -0.009 0.000 0.246 74 V C 2.552 178.592 176.094 -0.091 0.000 1.047 74 V CA 1.790 64.061 62.300 -0.047 0.000 1.035 74 V CB -0.665 31.181 31.823 0.038 0.000 0.658 74 V HN 0.493 nan 8.190 nan 0.000 0.452 75 Q N -0.671 119.011 119.800 -0.196 0.000 2.124 75 Q HA -0.189 4.146 4.340 -0.009 0.000 0.202 75 Q C 1.732 177.699 176.000 -0.054 0.000 0.977 75 Q CA 1.795 57.462 55.803 -0.226 0.000 0.850 75 Q CB 0.010 28.475 28.738 -0.455 0.000 0.901 75 Q HN 0.595 nan 8.270 nan 0.000 0.429 76 F N 0.043 119.883 119.950 -0.184 0.000 2.727 76 F HA 0.220 4.742 4.527 -0.010 0.000 0.302 76 F C 0.763 176.458 175.800 -0.175 0.000 1.097 76 F CA 0.152 58.027 58.000 -0.208 0.000 1.330 76 F CB -0.405 38.421 39.000 -0.290 0.000 1.084 76 F HN 0.150 nan 8.300 nan 0.000 0.578 77 N N 0.336 119.048 118.700 0.020 0.000 2.829 77 N HA -0.188 4.547 4.740 -0.009 0.000 0.250 77 N C -0.644 174.809 175.510 -0.096 0.000 1.090 77 N CA 0.247 53.277 53.050 -0.033 0.000 0.781 77 N CB -1.255 37.218 38.487 -0.023 0.000 1.124 77 N HN -0.017 nan 8.380 nan 0.000 0.559 78 I N 1.628 122.115 120.570 -0.139 0.000 2.191 78 I HA 0.250 4.414 4.170 -0.009 0.000 0.289 78 I C 0.584 176.617 176.117 -0.140 0.000 1.141 78 I CA -0.141 60.993 61.300 -0.277 0.000 1.430 78 I CB -1.075 36.655 38.000 -0.450 0.000 1.497 78 I HN 0.161 nan 8.210 nan 0.000 0.636 79 I N 5.697 126.219 120.570 -0.080 0.000 2.359 79 I HA 0.307 4.471 4.170 -0.009 0.000 0.294 79 I C -2.017 174.129 176.117 0.049 0.000 0.987 79 I CA -1.935 59.359 61.300 -0.011 0.000 1.225 79 I CB 1.546 39.551 38.000 0.009 0.000 1.366 79 I HN 0.116 nan 8.210 nan 0.000 0.466 80 P HA -0.023 nan 4.420 nan 0.000 0.264 80 P C 0.363 177.746 177.300 0.138 0.000 1.183 80 P CA -0.092 63.109 63.100 0.168 0.000 0.763 80 P CB 0.664 32.550 31.700 0.309 0.000 0.807 81 K N 4.801 125.235 120.400 0.058 0.000 2.052 81 K HA -0.260 4.055 4.320 -0.009 0.000 0.215 81 K C 1.889 178.473 176.600 -0.026 0.000 1.053 81 K CA 2.132 58.431 56.287 0.020 0.000 0.934 81 K CB -0.290 32.214 32.500 0.007 0.000 0.717 81 K HN 0.414 nan 8.250 nan 0.000 0.450 82 R N -0.992 119.436 120.500 -0.119 0.000 2.200 82 R HA -0.142 4.193 4.340 -0.009 0.000 0.234 82 R C 1.367 177.458 176.300 -0.348 0.000 1.127 82 R CA 1.647 57.580 56.100 -0.278 0.000 0.989 82 R CB -0.544 29.492 30.300 -0.440 0.000 0.869 82 R HN 0.199 nan 8.270 nan 0.000 0.459 83 F N 0.783 120.723 119.950 -0.017 0.000 2.749 83 F HA 0.408 4.929 4.527 -0.009 0.000 0.300 83 F C 2.425 178.218 175.800 -0.011 0.000 1.103 83 F CA -0.097 57.893 58.000 -0.017 0.000 1.342 83 F CB 0.121 39.106 39.000 -0.025 0.000 1.098 83 F HN 0.071 nan 8.300 nan 0.000 0.586 84 A N 0.609 123.507 122.820 0.129 0.000 2.009 84 A HA -0.271 4.043 4.320 -0.009 0.000 0.222 84 A C 2.109 179.731 177.584 0.064 0.000 1.175 84 A CA 1.818 53.902 52.037 0.078 0.000 0.651 84 A CB -0.593 18.431 19.000 0.041 0.000 0.815 84 A HN 0.376 nan 8.150 nan 0.000 0.459 85 K N -0.058 120.378 120.400 0.059 0.000 2.444 85 K HA 0.086 4.401 4.320 -0.009 0.000 0.193 85 K C -0.399 176.237 176.600 0.061 0.000 1.024 85 K CA -0.004 56.311 56.287 0.047 0.000 1.077 85 K CB 0.278 32.796 32.500 0.029 0.000 0.833 85 K HN 0.412 nan 8.250 nan 0.000 0.517 86 E N 1.734 121.988 120.200 0.091 0.000 2.249 86 E HA 0.198 4.543 4.350 -0.009 0.000 0.280 86 E C -2.454 174.185 176.600 0.065 0.000 1.016 86 E CA -2.506 53.948 56.400 0.091 0.000 0.830 86 E CB 0.783 30.565 29.700 0.138 0.000 1.081 86 E HN -0.066 nan 8.360 nan 0.000 0.395 87 P HA 0.022 nan 4.420 nan 0.000 0.265 87 P C -0.437 176.887 177.300 0.040 0.000 1.193 87 P CA -0.060 63.066 63.100 0.044 0.000 0.765 87 P CB 0.293 32.021 31.700 0.047 0.000 0.823 88 I N 4.482 125.068 120.570 0.026 0.000 2.294 88 I HA 0.233 4.397 4.170 -0.009 0.000 0.295 88 I C 0.627 176.753 176.117 0.015 0.000 1.098 88 I CA 0.554 61.863 61.300 0.015 0.000 1.277 88 I CB -0.654 37.348 38.000 0.003 0.000 1.434 88 I HN 0.392 nan 8.210 nan 0.000 0.498 89 D N 4.031 124.447 120.400 0.027 0.000 2.838 89 D HA 0.166 4.801 4.640 -0.009 0.000 0.334 89 D C 0.683 177.012 176.300 0.049 0.000 1.315 89 D CA -0.719 53.304 54.000 0.038 0.000 0.917 89 D CB 0.238 41.080 40.800 0.069 0.000 1.435 89 D HN 0.085 nan 8.370 nan 0.000 0.517 90 I N 0.476 121.092 120.570 0.077 0.000 2.423 90 I HA -0.169 3.996 4.170 -0.009 0.000 0.254 90 I C 0.913 177.099 176.117 0.115 0.000 1.151 90 I CA 1.752 63.069 61.300 0.028 0.000 1.421 90 I CB -0.410 37.642 38.000 0.087 0.000 1.079 90 I HN 0.296 nan 8.210 nan 0.000 0.431 91 D N -0.224 120.300 120.400 0.206 0.000 2.224 91 D HA -0.116 4.519 4.640 -0.009 0.000 0.205 91 D C 2.056 178.443 176.300 0.145 0.000 0.965 91 D CA 0.943 55.105 54.000 0.269 0.000 0.852 91 D CB -0.094 40.848 40.800 0.237 0.000 0.947 91 D HN 0.361 nan 8.370 nan 0.000 0.494 92 L N -0.024 121.236 121.223 0.063 0.000 2.072 92 L HA -0.121 4.214 4.340 -0.009 0.000 0.205 92 L C 2.253 179.037 176.870 -0.143 0.000 1.079 92 L CA 1.341 56.149 54.840 -0.053 0.000 0.752 92 L CB -0.808 41.229 42.059 -0.037 0.000 0.906 92 L HN -0.056 nan 8.230 nan 0.000 0.436 93 Y N -0.281 119.892 120.300 -0.212 0.000 2.069 93 Y HA -0.348 4.197 4.550 -0.009 0.000 0.278 93 Y C 2.160 177.885 175.900 -0.292 0.000 1.175 93 Y CA 2.356 60.277 58.100 -0.298 0.000 1.134 93 Y CB -0.580 37.647 38.460 -0.388 0.000 0.965 93 Y HN 0.227 nan 8.280 nan 0.000 0.498 94 F N -0.225 119.725 119.950 0.001 0.000 2.293 94 F HA -0.056 4.466 4.527 -0.009 0.000 0.300 94 F C 2.539 178.124 175.800 -0.358 0.000 1.086 94 F CA 0.821 58.720 58.000 -0.169 0.000 1.375 94 F CB -1.358 37.728 39.000 0.144 0.000 1.045 94 F HN 0.184 nan 8.300 nan 0.000 0.516 95 A N 0.240 122.985 122.820 -0.125 0.000 1.930 95 A HA -0.125 4.190 4.320 -0.009 0.000 0.217 95 A C 2.298 179.586 177.584 -0.492 0.000 1.175 95 A CA 1.446 53.346 52.037 -0.228 0.000 0.627 95 A CB -0.985 17.913 19.000 -0.171 0.000 0.815 95 A HN 0.354 nan 8.150 nan 0.000 0.443 96 I N -0.396 119.722 120.570 -0.754 0.000 2.252 96 I HA -0.242 3.923 4.170 -0.009 0.000 0.245 96 I C 2.908 178.743 176.117 -0.469 0.000 1.102 96 I CA 1.042 61.876 61.300 -0.778 0.000 1.385 96 I CB -0.256 37.338 38.000 -0.677 0.000 1.064 96 I HN 0.351 nan 8.210 nan 0.000 0.414 97 A N 0.725 123.195 122.820 -0.583 0.000 1.929 97 A HA -0.085 4.230 4.320 -0.009 0.000 0.216 97 A C 2.282 179.540 177.584 -0.544 0.000 1.176 97 A CA 1.274 52.876 52.037 -0.724 0.000 0.628 97 A CB -0.237 17.914 19.000 -1.415 0.000 0.816 97 A HN 0.379 nan 8.150 nan 0.000 0.444 98 R N -1.968 118.263 120.500 -0.449 0.000 2.419 98 R HA 0.383 4.718 4.340 -0.009 0.000 0.235 98 R C 0.796 176.982 176.300 -0.190 0.000 0.899 98 R CA 0.404 56.299 56.100 -0.343 0.000 1.048 98 R CB 0.481 30.465 30.300 -0.528 0.000 1.182 98 R HN 0.625 nan 8.270 nan 0.000 0.544 99 G N 2.162 110.891 108.800 -0.118 0.000 2.756 99 G HA2 -0.249 3.706 3.960 -0.009 0.000 0.678 99 G HA3 -0.249 3.706 3.960 -0.009 0.000 0.678 99 G C -0.918 173.997 174.900 0.024 0.000 1.349 99 G CA -0.276 44.847 45.100 0.039 0.000 0.847 99 G HN 0.427 nan 8.290 nan 0.000 0.548 100 N N -1.553 117.198 118.700 0.086 0.000 3.387 100 N HA 0.491 5.226 4.740 -0.009 0.000 0.322 100 N C 1.046 176.571 175.510 0.027 0.000 1.588 100 N CA -0.073 53.008 53.050 0.052 0.000 0.778 100 N CB 0.490 39.039 38.487 0.104 0.000 1.883 100 N HN 0.760 nan 8.380 nan 0.000 0.628 101 K N -0.690 119.722 120.400 0.019 0.000 2.152 101 K HA -0.118 4.197 4.320 -0.009 0.000 0.206 101 K C 0.567 177.164 176.600 -0.005 0.000 1.048 101 K CA 1.881 58.170 56.287 0.004 0.000 0.933 101 K CB 0.061 32.564 32.500 0.005 0.000 0.721 101 K HN 0.648 nan 8.250 nan 0.000 0.447 102 E N -0.871 119.325 120.200 -0.008 0.000 2.490 102 E HA 0.059 4.404 4.350 -0.009 0.000 0.209 102 E C -0.478 176.071 176.600 -0.085 0.000 0.971 102 E CA 0.013 56.389 56.400 -0.039 0.000 0.988 102 E CB 0.184 29.860 29.700 -0.041 0.000 1.029 102 E HN 0.187 nan 8.360 nan 0.000 0.496 103 N N 0.820 119.467 118.700 -0.088 0.000 2.225 103 N HA 0.306 5.041 4.740 -0.009 0.000 0.298 103 N C -0.647 174.836 175.510 -0.046 0.000 1.076 103 N CA -0.730 52.206 53.050 -0.189 0.000 0.792 103 N CB 2.925 41.045 38.487 -0.612 0.000 1.498 103 N HN 0.008 nan 8.380 nan 0.000 0.474 104 V N -0.193 119.688 119.914 -0.055 0.000 2.924 104 V HA 0.749 4.863 4.120 -0.009 0.000 0.305 104 V C 0.750 176.904 176.094 0.101 0.000 1.073 104 V CA -0.892 61.413 62.300 0.008 0.000 1.098 104 V CB 0.454 32.266 31.823 -0.018 0.000 1.000 104 V HN 0.740 nan 8.190 nan 0.000 0.484 105 A N 3.302 126.161 122.820 0.064 0.000 2.346 105 A HA 0.559 4.874 4.320 -0.009 0.000 0.252 105 A C 0.767 178.372 177.584 0.035 0.000 1.089 105 A CA -0.096 51.971 52.037 0.051 0.000 0.797 105 A CB -0.100 18.858 19.000 -0.070 0.000 1.047 105 A HN 1.104 nan 8.150 nan 0.000 0.494 106 S N 0.161 115.863 115.700 0.003 0.000 2.584 106 S HA 0.320 4.785 4.470 -0.009 0.000 0.270 106 S C 0.753 175.315 174.600 -0.063 0.000 1.346 106 S CA -0.398 57.796 58.200 -0.010 0.000 1.018 106 S CB 0.524 63.702 63.200 -0.037 0.000 0.899 106 S HN 0.743 nan 8.310 nan 0.000 0.542 107 S N 1.975 117.634 115.700 -0.069 0.000 2.624 107 S HA 0.517 4.982 4.470 -0.009 0.000 0.263 107 S C 0.133 174.633 174.600 -0.167 0.000 1.287 107 S CA -0.634 57.498 58.200 -0.113 0.000 0.990 107 S CB 0.430 63.569 63.200 -0.103 0.000 0.950 107 S HN 0.697 nan 8.310 nan 0.000 0.561 108 M N 0.232 119.701 119.600 -0.219 0.000 2.662 108 M HA 0.717 5.192 4.480 -0.009 0.000 0.310 108 M C -1.302 174.810 176.300 -0.313 0.000 1.204 108 M CA -0.797 54.328 55.300 -0.291 0.000 0.891 108 M CB 1.774 34.218 32.600 -0.260 0.000 1.732 108 M HN 0.294 nan 8.290 nan 0.000 0.467 109 K N 0.881 121.006 120.400 -0.458 0.000 2.512 109 K HA 0.445 4.759 4.320 -0.009 0.000 0.263 109 K C -1.455 175.054 176.600 -0.153 0.000 0.966 109 K CA -1.139 54.963 56.287 -0.310 0.000 0.851 109 K CB 3.056 35.342 32.500 -0.358 0.000 1.395 109 K HN 0.791 nan 8.250 nan 0.000 0.440 110 K N 0.732 121.098 120.400 -0.056 0.000 2.436 110 K HA 0.018 4.333 4.320 -0.009 0.000 0.275 110 K C -0.501 176.240 176.600 0.237 0.000 0.999 110 K CA -0.349 55.883 56.287 -0.092 0.000 0.980 110 K CB 0.863 33.286 32.500 -0.128 0.000 0.919 110 K HN 0.588 nan 8.250 nan 0.000 0.484 111 W N 6.774 128.175 121.300 0.168 0.000 2.422 111 W HA 0.087 4.747 4.660 -0.001 0.000 0.349 111 W C -0.912 175.775 176.519 0.280 0.000 1.062 111 W CA -0.576 57.005 57.345 0.395 0.000 1.497 111 W CB -0.561 29.338 29.460 0.731 0.000 1.407 111 W HN 0.862 nan 8.180 nan 0.000 0.393 112 F N 0.873 120.754 119.950 -0.115 0.000 2.512 112 F HA -0.480 4.038 4.527 -0.013 0.000 0.290 112 F C 1.727 177.401 175.800 -0.211 0.000 1.459 112 F CA 2.375 60.235 58.000 -0.234 0.000 1.366 112 F CB -1.152 37.640 39.000 -0.346 0.000 3.242 112 F HN 0.469 nan 8.300 nan 0.000 0.190 113 N N 0.585 119.203 118.700 -0.136 0.000 2.279 113 N HA 0.141 4.876 4.740 -0.009 0.000 0.226 113 N C -0.077 175.300 175.510 -0.221 0.000 1.126 113 N CA 0.690 53.638 53.050 -0.171 0.000 0.846 113 N CB -0.456 37.933 38.487 -0.163 0.000 1.050 113 N HN 0.789 nan 8.380 nan 0.000 0.502 114 T N -2.138 112.278 114.554 -0.232 0.000 2.814 114 T HA 0.273 4.618 4.350 -0.009 0.000 0.284 114 T C 0.602 175.291 174.700 -0.018 0.000 0.998 114 T CA -0.550 61.453 62.100 -0.162 0.000 0.935 114 T CB 0.754 69.533 68.868 -0.148 0.000 1.167 114 T HN 0.114 nan 8.240 nan 0.000 0.545 115 N N -0.970 117.764 118.700 0.056 0.000 2.268 115 N HA 0.157 4.892 4.740 -0.009 0.000 0.204 115 N C -0.923 174.670 175.510 0.138 0.000 1.124 115 N CA -0.281 52.794 53.050 0.040 0.000 0.838 115 N CB 0.132 38.625 38.487 0.009 0.000 0.994 115 N HN 0.534 nan 8.380 nan 0.000 0.489 116 Y N 0.821 121.192 120.300 0.119 0.000 2.335 116 Y HA 0.263 4.808 4.550 -0.010 0.000 0.323 116 Y C -0.677 175.280 175.900 0.096 0.000 1.224 116 Y CA -0.455 57.791 58.100 0.243 0.000 1.241 116 Y CB 0.563 39.230 38.460 0.345 0.000 1.235 116 Y HN 0.073 nan 8.280 nan 0.000 0.492 117 H N 4.116 122.870 119.070 -0.527 0.000 2.589 117 H HA 0.302 4.854 4.556 -0.007 0.000 0.351 117 H C -1.316 173.780 175.328 -0.386 0.000 1.074 117 H CA -0.727 55.171 56.048 -0.250 0.000 1.203 117 H CB 0.864 30.492 29.762 -0.223 0.000 1.558 117 H HN 0.622 nan 8.280 nan 0.000 0.522 118 Y N 0.477 120.809 120.300 0.052 0.000 2.519 118 Y HA 0.606 5.151 4.550 -0.010 0.000 0.324 118 Y C -0.791 175.157 175.900 0.079 0.000 1.214 118 Y CA -1.438 56.712 58.100 0.083 0.000 1.260 118 Y CB 0.957 39.556 38.460 0.232 0.000 1.311 118 Y HN 0.336 nan 8.280 nan 0.000 0.505 119 I N 3.488 124.131 120.570 0.121 0.000 2.312 119 I HA 0.158 4.323 4.170 -0.009 0.000 0.291 119 I C -0.371 175.792 176.117 0.077 0.000 1.031 119 I CA -0.825 60.477 61.300 0.002 0.000 1.293 119 I CB 0.921 38.936 38.000 0.026 0.000 1.403 119 I HN 0.499 nan 8.210 nan 0.000 0.484 120 V N 9.635 129.497 119.914 -0.087 0.000 2.450 120 V HA 0.081 4.196 4.120 -0.009 0.000 0.281 120 V C -1.923 174.236 176.094 0.108 0.000 1.019 120 V CA -1.076 61.256 62.300 0.053 0.000 1.062 120 V CB 0.083 31.874 31.823 -0.053 0.000 0.979 120 V HN 0.587 nan 8.190 nan 0.000 0.477 121 P HA 0.170 nan 4.420 nan 0.000 0.268 121 P C -0.397 177.016 177.300 0.189 0.000 1.204 121 P CA 0.004 63.190 63.100 0.143 0.000 0.768 121 P CB 0.455 32.219 31.700 0.108 0.000 0.842 122 E N 2.508 122.784 120.200 0.127 0.000 2.183 122 E HA 0.147 4.492 4.350 -0.009 0.000 0.250 122 E C -0.872 175.824 176.600 0.160 0.000 0.901 122 E CA -0.493 56.003 56.400 0.160 0.000 0.741 122 E CB 0.423 30.185 29.700 0.104 0.000 1.182 122 E HN 0.402 nan 8.360 nan 0.000 0.425 123 W N 2.100 123.431 121.300 0.051 0.000 2.190 123 W HA 0.111 4.768 4.660 -0.006 0.000 0.330 123 W C 1.194 177.739 176.519 0.044 0.000 1.299 123 W CA -0.016 57.363 57.345 0.056 0.000 1.215 123 W CB 0.830 30.317 29.460 0.045 0.000 1.147 123 W HN 0.457 nan 8.180 nan 0.000 0.563 124 S N 1.069 116.908 115.700 0.231 0.000 4.228 124 S HA 0.340 4.805 4.470 -0.009 0.000 0.207 124 S C 0.786 175.471 174.600 0.142 0.000 1.152 124 S CA -0.524 57.765 58.200 0.149 0.000 1.645 124 S CB 0.661 63.912 63.200 0.085 0.000 1.307 124 S HN 0.378 nan 8.310 nan 0.000 0.761 125 K N 0.803 121.257 120.400 0.090 0.000 2.358 125 K HA 0.291 4.605 4.320 -0.009 0.000 0.200 125 K C -0.134 176.504 176.600 0.062 0.000 1.030 125 K CA -0.089 56.246 56.287 0.079 0.000 1.097 125 K CB -0.213 32.320 32.500 0.055 0.000 0.862 125 K HN 0.355 nan 8.250 nan 0.000 0.534 126 Q N 2.479 122.306 119.800 0.044 0.000 2.361 126 Q HA 0.010 4.345 4.340 -0.009 0.000 0.276 126 Q C -0.106 175.902 176.000 0.013 0.000 1.022 126 Q CA 0.512 56.322 55.803 0.013 0.000 0.898 126 Q CB 0.707 29.431 28.738 -0.023 0.000 1.246 126 Q HN 0.302 nan 8.270 nan 0.000 0.410 127 R N 2.126 122.630 120.500 0.007 0.000 2.312 127 R HA 0.492 4.827 4.340 -0.009 0.000 0.311 127 R C -2.474 173.815 176.300 -0.018 0.000 1.004 127 R CA -1.753 54.354 56.100 0.012 0.000 0.902 127 R CB -0.170 30.139 30.300 0.016 0.000 1.073 127 R HN 0.235 nan 8.270 nan 0.000 0.457 128 P HA 0.126 nan 4.420 nan 0.000 0.271 128 P C -1.244 176.032 177.300 -0.040 0.000 1.216 128 P CA -0.265 62.802 63.100 -0.055 0.000 0.776 128 P CB 0.825 32.486 31.700 -0.066 0.000 0.881 129 K N 1.382 121.764 120.400 -0.029 0.000 2.587 129 K HA 0.405 4.720 4.320 -0.009 0.000 0.276 129 K C -1.276 175.329 176.600 0.009 0.000 0.956 129 K CA -1.037 55.239 56.287 -0.020 0.000 0.857 129 K CB 0.710 33.203 32.500 -0.011 0.000 1.431 129 K HN 0.163 nan 8.250 nan 0.000 0.420 130 L N 2.637 123.864 121.223 0.008 0.000 2.361 130 L HA 0.187 4.522 4.340 -0.009 0.000 0.278 130 L C 0.525 177.401 176.870 0.010 0.000 1.113 130 L CA -0.554 54.305 54.840 0.033 0.000 0.849 130 L CB 0.369 42.436 42.059 0.014 0.000 1.155 130 L HN 0.662 nan 8.230 nan 0.000 0.452 131 N N 2.286 120.988 118.700 0.004 0.000 2.299 131 N HA 0.029 4.763 4.740 -0.009 0.000 0.187 131 N C -0.368 175.125 175.510 -0.029 0.000 1.099 131 N CA 0.117 53.158 53.050 -0.014 0.000 0.867 131 N CB 0.107 38.583 38.487 -0.018 0.000 0.974 131 N HN 0.754 nan 8.380 nan 0.000 0.477 132 N N -1.393 117.286 118.700 -0.035 0.000 3.308 132 N HA 0.155 4.890 4.740 -0.009 0.000 0.276 132 N C -1.449 174.034 175.510 -0.045 0.000 1.533 132 N CA -0.669 52.351 53.050 -0.050 0.000 0.878 132 N CB 0.048 38.490 38.487 -0.074 0.000 1.566 132 N HN -0.344 nan 8.380 nan 0.000 0.546 133 N N -0.979 117.692 118.700 -0.049 0.000 2.535 133 N HA 0.280 5.015 4.740 -0.009 0.000 0.294 133 N C 0.635 176.123 175.510 -0.038 0.000 1.408 133 N CA -0.384 52.645 53.050 -0.035 0.000 0.927 133 N CB 0.375 38.848 38.487 -0.024 0.000 1.276 133 N HN 0.497 nan 8.380 nan 0.000 0.505 134 R N 0.131 120.596 120.500 -0.058 0.000 2.143 134 R HA -0.185 4.150 4.340 -0.009 0.000 0.239 134 R C 1.458 177.752 176.300 -0.010 0.000 1.126 134 R CA 1.654 57.721 56.100 -0.054 0.000 0.927 134 R CB -0.276 29.972 30.300 -0.086 0.000 0.860 134 R HN 0.275 nan 8.270 nan 0.000 0.433 135 L N 0.951 122.172 121.223 -0.003 0.000 2.109 135 L HA -0.114 4.221 4.340 -0.009 0.000 0.207 135 L C 2.185 179.109 176.870 0.091 0.000 1.086 135 L CA 1.355 56.223 54.840 0.046 0.000 0.760 135 L CB -0.665 41.415 42.059 0.034 0.000 0.910 135 L HN 0.345 nan 8.230 nan 0.000 0.437 136 L N -0.630 120.633 121.223 0.066 0.000 2.017 136 L HA -0.223 4.112 4.340 -0.009 0.000 0.208 136 L C 2.017 178.954 176.870 0.112 0.000 1.073 136 L CA 2.064 56.970 54.840 0.109 0.000 0.745 136 L CB -1.162 40.934 42.059 0.062 0.000 0.894 136 L HN 0.316 nan 8.230 nan 0.000 0.432 137 D N 0.091 120.518 120.400 0.046 0.000 2.104 137 D HA -0.208 4.427 4.640 -0.009 0.000 0.194 137 D C 2.407 178.720 176.300 0.020 0.000 0.994 137 D CA 1.275 55.282 54.000 0.012 0.000 0.830 137 D CB -0.219 40.562 40.800 -0.031 0.000 0.959 137 D HN 0.360 nan 8.370 nan 0.000 0.452 138 L N -0.249 121.003 121.223 0.049 0.000 2.046 138 L HA -0.208 4.127 4.340 -0.009 0.000 0.208 138 L C 2.487 179.404 176.870 0.079 0.000 1.077 138 L CA 0.958 55.833 54.840 0.057 0.000 0.747 138 L CB -0.450 41.666 42.059 0.095 0.000 0.896 138 L HN 0.065 nan 8.230 nan 0.000 0.432 139 Y N 0.680 120.988 120.300 0.013 0.000 2.145 139 Y HA -0.235 4.310 4.550 -0.008 0.000 0.286 139 Y C 2.314 178.216 175.900 0.003 0.000 1.145 139 Y CA 1.476 59.587 58.100 0.018 0.000 1.148 139 Y CB -0.299 38.179 38.460 0.031 0.000 0.981 139 Y HN -0.018 nan 8.280 nan 0.000 0.507 140 L N 0.275 121.422 121.223 -0.127 0.000 2.083 140 L HA -0.206 4.129 4.340 -0.009 0.000 0.209 140 L C 2.586 179.341 176.870 -0.192 0.000 1.083 140 L CA 1.909 56.622 54.840 -0.210 0.000 0.752 140 L CB -0.604 41.420 42.059 -0.058 0.000 0.899 140 L HN 0.359 nan 8.230 nan 0.000 0.433 141 E N 0.560 120.685 120.200 -0.125 0.000 2.072 141 E HA -0.239 4.106 4.350 -0.009 0.000 0.191 141 E C 2.217 178.735 176.600 -0.135 0.000 0.985 141 E CA 1.198 57.531 56.400 -0.112 0.000 0.801 141 E CB 0.005 29.653 29.700 -0.086 0.000 0.750 141 E HN 0.434 nan 8.360 nan 0.000 0.452 142 A N 1.541 124.274 122.820 -0.145 0.000 1.933 142 A HA -0.151 4.163 4.320 -0.009 0.000 0.218 142 A C 2.180 179.654 177.584 -0.183 0.000 1.175 142 A CA 1.122 53.078 52.037 -0.135 0.000 0.628 142 A CB -0.438 18.516 19.000 -0.077 0.000 0.814 142 A HN 0.135 nan 8.150 nan 0.000 0.444 143 R N 0.317 120.630 120.500 -0.313 0.000 2.105 143 R HA -0.136 4.199 4.340 -0.009 0.000 0.239 143 R C 1.755 177.956 176.300 -0.165 0.000 1.135 143 R CA 1.496 57.424 56.100 -0.287 0.000 0.967 143 R CB -0.737 29.320 30.300 -0.405 0.000 0.861 143 R HN 0.720 nan 8.270 nan 0.000 0.442 144 E N 0.234 120.346 120.200 -0.147 0.000 2.204 144 E HA -0.104 4.241 4.350 -0.009 0.000 0.195 144 E C 1.914 178.463 176.600 -0.085 0.000 0.990 144 E CA 1.164 57.503 56.400 -0.102 0.000 0.821 144 E CB 0.137 29.781 29.700 -0.093 0.000 0.750 144 E HN 0.143 nan 8.360 nan 0.000 0.477 145 V N 0.558 120.418 119.914 -0.091 0.000 2.575 145 V HA -0.096 4.019 4.120 -0.009 0.000 0.242 145 V C 2.100 178.157 176.094 -0.062 0.000 1.045 145 V CA 1.282 63.537 62.300 -0.074 0.000 1.065 145 V CB 0.464 32.239 31.823 -0.079 0.000 0.717 145 V HN 0.219 nan 8.190 nan 0.000 0.467 146 V N -2.331 117.543 119.914 -0.065 0.000 3.528 146 V HA 0.720 4.835 4.120 -0.009 0.000 0.294 146 V C 1.049 177.120 176.094 -0.037 0.000 1.404 146 V CA 0.267 62.541 62.300 -0.044 0.000 1.065 146 V CB -0.568 31.237 31.823 -0.031 0.000 0.904 146 V HN 0.640 nan 8.190 nan 0.000 0.435 147 G N 1.786 110.550 108.800 -0.059 0.000 2.574 147 G HA2 -0.352 3.603 3.960 -0.009 0.000 0.282 147 G HA3 -0.352 3.603 3.960 -0.009 0.000 0.282 147 G C 0.264 175.154 174.900 -0.017 0.000 1.257 147 G CA 0.640 45.712 45.100 -0.046 0.000 0.956 147 G HN 0.434 nan 8.290 nan 0.000 0.560 148 D N 0.760 121.172 120.400 0.020 0.000 2.403 148 D HA -0.003 4.632 4.640 -0.009 0.000 0.227 148 D C 2.182 178.538 176.300 0.094 0.000 0.995 148 D CA 0.965 55.007 54.000 0.071 0.000 0.928 148 D CB -0.030 40.810 40.800 0.066 0.000 0.887 148 D HN 0.554 nan 8.370 nan 0.000 0.529 149 K N 0.352 120.789 120.400 0.062 0.000 2.366 149 K HA 0.114 4.429 4.320 -0.009 0.000 0.198 149 K C 0.877 177.534 176.600 0.096 0.000 1.044 149 K CA -0.003 56.324 56.287 0.067 0.000 0.973 149 K CB 0.355 32.874 32.500 0.031 0.000 0.767 149 K HN -0.017 nan 8.250 nan 0.000 0.475 150 A N 2.647 125.535 122.820 0.112 0.000 2.522 150 A HA -0.011 4.304 4.320 -0.009 0.000 0.256 150 A C -0.162 177.591 177.584 0.282 0.000 1.086 150 A CA 0.326 52.469 52.037 0.177 0.000 0.763 150 A CB -0.024 19.046 19.000 0.116 0.000 1.024 150 A HN 0.118 nan 8.150 nan 0.000 0.502 151 K N 4.785 125.310 120.400 0.208 0.000 2.464 151 K HA 0.416 4.731 4.320 -0.009 0.000 0.252 151 K C -2.969 173.717 176.600 0.143 0.000 1.000 151 K CA -2.061 54.325 56.287 0.165 0.000 0.951 151 K CB 1.179 33.755 32.500 0.125 0.000 1.183 151 K HN 0.332 nan 8.250 nan 0.000 0.445 152 P HA -0.088 nan 4.420 nan 0.000 0.266 152 P C -0.908 176.459 177.300 0.112 0.000 1.195 152 P CA -0.349 62.809 63.100 0.096 0.000 0.768 152 P CB 0.800 32.490 31.700 -0.015 0.000 0.838 153 V N 2.072 122.065 119.914 0.133 0.000 2.876 153 V HA 0.809 4.924 4.120 -0.009 0.000 0.312 153 V C -0.767 175.434 176.094 0.178 0.000 1.085 153 V CA -0.910 61.473 62.300 0.138 0.000 0.945 153 V CB 2.139 34.020 31.823 0.096 0.000 1.017 153 V HN 0.524 nan 8.190 nan 0.000 0.428 154 I N 1.568 122.278 120.570 0.232 0.000 2.828 154 I HA 0.468 4.633 4.170 -0.009 0.000 0.295 154 I C -0.281 176.048 176.117 0.353 0.000 1.459 154 I CA -0.085 61.383 61.300 0.280 0.000 1.015 154 I CB 2.636 40.837 38.000 0.335 0.000 1.345 154 I HN 0.878 nan 8.210 nan 0.000 0.449 155 T N 4.705 119.494 114.554 0.393 0.000 2.851 155 T HA 0.361 4.706 4.350 -0.009 0.000 0.298 155 T C 0.427 175.450 174.700 0.537 0.000 0.977 155 T CA 0.015 62.396 62.100 0.468 0.000 1.126 155 T CB 0.940 70.147 68.868 0.565 0.000 0.916 155 T HN 0.721 nan 8.240 nan 0.000 0.529 156 G N 3.763 112.816 108.800 0.421 0.000 2.636 156 G HA2 0.269 4.223 3.960 -0.009 0.000 0.246 156 G HA3 0.269 4.223 3.960 -0.009 0.000 0.246 156 G C -1.026 174.060 174.900 0.310 0.000 1.216 156 G CA -1.244 44.061 45.100 0.341 0.000 0.854 156 G HN 0.413 nan 8.290 nan 0.000 0.572 157 P HA -0.116 nan 4.420 nan 0.000 0.217 157 P C 1.915 179.297 177.300 0.136 0.000 1.150 157 P CA 1.001 64.149 63.100 0.080 0.000 0.832 157 P CB 0.252 31.797 31.700 -0.258 0.000 0.787 158 I N -0.204 120.442 120.570 0.128 0.000 2.179 158 I HA -0.192 3.973 4.170 -0.009 0.000 0.242 158 I C 2.457 178.633 176.117 0.098 0.000 1.088 158 I CA 1.809 63.165 61.300 0.094 0.000 1.357 158 I CB -1.418 36.764 38.000 0.304 0.000 1.051 158 I HN -0.019 nan 8.210 nan 0.000 0.409 159 T N -0.017 114.641 114.554 0.174 0.000 2.746 159 T HA -0.240 4.105 4.350 -0.009 0.000 0.267 159 T C 1.792 176.615 174.700 0.204 0.000 1.039 159 T CA 1.491 63.690 62.100 0.166 0.000 1.142 159 T CB -0.450 68.539 68.868 0.201 0.000 0.866 159 T HN 0.330 nan 8.240 nan 0.000 0.444 160 Y N 1.869 122.295 120.300 0.210 0.000 2.097 160 Y HA -0.196 4.350 4.550 -0.008 0.000 0.282 160 Y C 2.281 178.306 175.900 0.208 0.000 1.152 160 Y CA 1.055 59.318 58.100 0.271 0.000 1.136 160 Y CB -0.645 38.062 38.460 0.412 0.000 0.975 160 Y HN -0.014 nan 8.280 nan 0.000 0.498 161 V N 0.297 120.240 119.914 0.047 0.000 2.515 161 V HA -0.264 3.850 4.120 -0.009 0.000 0.250 161 V C 2.609 178.601 176.094 -0.170 0.000 1.058 161 V CA 1.576 63.724 62.300 -0.253 0.000 1.064 161 V CB -1.483 29.938 31.823 -0.670 0.000 0.675 161 V HN 0.569 nan 8.190 nan 0.000 0.461 162 A N -0.336 122.497 122.820 0.021 0.000 2.015 162 A HA -0.068 4.247 4.320 -0.009 0.000 0.219 162 A C 1.874 179.483 177.584 0.042 0.000 1.163 162 A CA 1.393 53.528 52.037 0.163 0.000 0.646 162 A CB -0.336 18.762 19.000 0.162 0.000 0.806 162 A HN 0.462 nan 8.150 nan 0.000 0.448 163 L N 0.053 121.260 121.223 -0.025 0.000 2.592 163 L HA 0.196 4.531 4.340 -0.009 0.000 0.227 163 L C 0.855 177.790 176.870 0.108 0.000 1.127 163 L CA 0.430 55.265 54.840 -0.008 0.000 0.884 163 L CB -0.198 41.721 42.059 -0.232 0.000 1.065 163 L HN 0.103 nan 8.230 nan 0.000 0.457 164 S N -1.629 114.076 115.700 0.009 0.000 2.707 164 S HA 0.554 5.019 4.470 -0.009 0.000 0.276 164 S C 0.275 174.919 174.600 0.073 0.000 1.179 164 S CA -0.419 57.822 58.200 0.068 0.000 0.992 164 S CB 1.819 65.070 63.200 0.084 0.000 1.030 164 S HN 0.187 nan 8.310 nan 0.000 0.554 165 T N -1.131 113.501 114.554 0.130 0.000 2.906 165 T HA 0.569 4.914 4.350 -0.009 0.000 0.295 165 T C 0.613 175.392 174.700 0.132 0.000 1.075 165 T CA 0.487 62.641 62.100 0.089 0.000 1.005 165 T CB 0.866 69.778 68.868 0.073 0.000 1.136 165 T HN 1.174 nan 8.240 nan 0.000 0.498 166 G N 1.254 110.103 108.800 0.081 0.000 2.157 166 G HA2 -0.185 3.770 3.960 -0.009 0.000 0.248 166 G HA3 -0.185 3.770 3.960 -0.009 0.000 0.248 166 G C 0.009 174.949 174.900 0.067 0.000 0.979 166 G CA 0.142 45.306 45.100 0.106 0.000 0.650 166 G HN 1.014 nan 8.290 nan 0.000 0.529 167 V N 2.474 122.353 119.914 -0.057 0.000 2.385 167 V HA 0.401 4.516 4.120 -0.009 0.000 0.269 167 V C 1.435 177.481 176.094 -0.080 0.000 1.043 167 V CA 0.285 62.475 62.300 -0.185 0.000 0.906 167 V CB 1.553 33.119 31.823 -0.427 0.000 0.995 167 V HN 0.508 nan 8.190 nan 0.000 0.467 168 E N 3.361 123.533 120.200 -0.046 0.000 2.250 168 E HA -0.029 4.316 4.350 -0.009 0.000 0.192 168 E C 0.165 176.759 176.600 -0.011 0.000 0.986 168 E CA 0.498 56.890 56.400 -0.013 0.000 0.849 168 E CB 0.627 30.330 29.700 0.004 0.000 0.797 168 E HN 0.656 nan 8.360 nan 0.000 0.482 169 D N -0.263 120.114 120.400 -0.040 0.000 2.421 169 D HA 0.088 4.723 4.640 -0.009 0.000 0.254 169 D C -0.132 176.135 176.300 -0.054 0.000 1.238 169 D CA -0.547 53.444 54.000 -0.015 0.000 0.919 169 D CB 0.510 41.301 40.800 -0.015 0.000 1.152 169 D HN -0.105 nan 8.370 nan 0.000 0.552 170 F N 2.800 122.662 119.950 -0.146 0.000 2.043 170 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 170 F C 2.137 177.823 175.800 -0.189 0.000 1.121 170 F CA 1.888 59.769 58.000 -0.198 0.000 1.199 170 F CB -0.068 38.849 39.000 -0.138 0.000 0.968 170 F HN 0.314 nan 8.300 nan 0.000 0.478 171 T N 0.445 115.059 114.554 0.101 0.000 2.788 171 T HA -0.161 4.184 4.350 -0.009 0.000 0.268 171 T C 2.138 176.766 174.700 -0.121 0.000 1.044 171 T CA 1.179 63.279 62.100 -0.001 0.000 1.139 171 T CB -0.784 68.127 68.868 0.071 0.000 0.867 171 T HN 0.394 nan 8.240 nan 0.000 0.454 172 A N 1.523 124.280 122.820 -0.106 0.000 1.877 172 A HA 0.165 4.480 4.320 -0.009 0.000 0.216 172 A C 2.665 180.165 177.584 -0.141 0.000 1.186 172 A CA 1.800 53.778 52.037 -0.099 0.000 0.620 172 A CB -1.151 17.813 19.000 -0.060 0.000 0.822 172 A HN 0.504 nan 8.150 nan 0.000 0.443 173 A N -0.535 122.122 122.820 -0.271 0.000 1.858 173 A HA -0.022 4.293 4.320 -0.009 0.000 0.216 173 A C 2.244 179.684 177.584 -0.239 0.000 1.190 173 A CA 1.851 53.658 52.037 -0.384 0.000 0.617 173 A CB -1.094 17.300 19.000 -1.009 0.000 0.827 173 A HN 0.408 nan 8.150 nan 0.000 0.443 174 V N 0.368 120.051 119.914 -0.384 0.000 2.287 174 V HA -0.284 3.831 4.120 -0.009 0.000 0.248 174 V C 2.618 178.594 176.094 -0.196 0.000 1.053 174 V CA 2.565 64.690 62.300 -0.292 0.000 1.027 174 V CB -0.659 30.928 31.823 -0.394 0.000 0.646 174 V HN 0.628 nan 8.190 nan 0.000 0.447 175 K N 1.361 121.640 120.400 -0.201 0.000 2.097 175 K HA -0.164 4.151 4.320 -0.009 0.000 0.206 175 K C 2.319 178.828 176.600 -0.151 0.000 1.049 175 K CA 1.925 58.086 56.287 -0.210 0.000 0.933 175 K CB -0.682 31.716 32.500 -0.171 0.000 0.717 175 K HN 0.637 nan 8.250 nan 0.000 0.442 176 S N -0.194 115.470 115.700 -0.061 0.000 2.442 176 S HA -0.091 4.374 4.470 -0.009 0.000 0.236 176 S C 1.835 176.429 174.600 -0.011 0.000 1.007 176 S CA 1.052 59.252 58.200 -0.001 0.000 0.965 176 S CB -0.400 62.861 63.200 0.102 0.000 0.773 176 S HN 0.328 nan 8.310 nan 0.000 0.504 177 L N 0.369 121.590 121.223 -0.003 0.000 2.375 177 L HA 0.228 4.563 4.340 -0.009 0.000 0.215 177 L C 2.332 179.199 176.870 -0.005 0.000 1.108 177 L CA 0.191 55.006 54.840 -0.042 0.000 0.830 177 L CB -0.482 41.629 42.059 0.086 0.000 0.959 177 L HN 0.274 nan 8.230 nan 0.000 0.457 178 L N 0.485 121.663 121.223 -0.074 0.000 2.013 178 L HA -0.196 4.139 4.340 -0.009 0.000 0.212 178 L C -0.186 176.779 176.870 0.159 0.000 1.073 178 L CA 1.747 56.548 54.840 -0.066 0.000 0.753 178 L CB -1.941 39.738 42.059 -0.633 0.000 0.890 178 L HN 0.253 nan 8.230 nan 0.000 0.432 179 P HA -0.136 nan 4.420 nan 0.000 0.220 179 P C 1.688 179.024 177.300 0.059 0.000 1.148 179 P CA 1.032 64.208 63.100 0.127 0.000 0.803 179 P CB 0.116 31.846 31.700 0.049 0.000 0.782 180 L N -2.536 118.647 121.223 -0.067 0.000 2.044 180 L HA -0.124 4.210 4.340 -0.009 0.000 0.205 180 L C 2.366 179.087 176.870 -0.247 0.000 1.075 180 L CA 1.780 56.488 54.840 -0.220 0.000 0.747 180 L CB -1.706 40.040 42.059 -0.521 0.000 0.903 180 L HN -0.055 nan 8.230 nan 0.000 0.435 181 Y N -0.069 120.042 120.300 -0.316 0.000 2.224 181 Y HA -0.251 4.295 4.550 -0.007 0.000 0.289 181 Y C 2.661 178.280 175.900 -0.469 0.000 1.146 181 Y CA 1.470 59.265 58.100 -0.508 0.000 1.182 181 Y CB -0.226 38.045 38.460 -0.315 0.000 0.983 181 Y HN 0.077 nan 8.280 nan 0.000 0.524 182 K N 0.986 121.513 120.400 0.212 0.000 2.009 182 K HA -0.293 4.021 4.320 -0.009 0.000 0.210 182 K C 2.087 178.766 176.600 0.131 0.000 1.049 182 K CA 2.084 58.548 56.287 0.295 0.000 0.929 182 K CB -0.469 32.251 32.500 0.366 0.000 0.714 182 K HN 0.461 nan 8.250 nan 0.000 0.440 183 Q N 0.296 120.126 119.800 0.050 0.000 2.050 183 Q HA -0.119 4.216 4.340 -0.009 0.000 0.202 183 Q C 2.118 178.110 176.000 -0.013 0.000 0.980 183 Q CA 1.779 57.595 55.803 0.022 0.000 0.840 183 Q CB 0.031 28.768 28.738 -0.000 0.000 0.898 183 Q HN 0.137 nan 8.270 nan 0.000 0.424 184 V N 0.763 120.608 119.914 -0.115 0.000 2.252 184 V HA -0.293 3.822 4.120 -0.009 0.000 0.249 184 V C 2.140 178.213 176.094 -0.034 0.000 1.056 184 V CA 2.060 64.272 62.300 -0.148 0.000 1.022 184 V CB -0.771 30.854 31.823 -0.330 0.000 0.641 184 V HN 0.365 nan 8.190 nan 0.000 0.445 185 F N 0.581 120.557 119.950 0.045 0.000 2.146 185 F HA -0.126 4.395 4.527 -0.009 0.000 0.298 185 F C 2.643 178.440 175.800 -0.004 0.000 1.096 185 F CA 1.613 59.634 58.000 0.035 0.000 1.275 185 F CB -1.810 37.269 39.000 0.131 0.000 1.008 185 F HN 0.095 nan 8.300 nan 0.000 0.480 186 T N -0.183 114.495 114.554 0.207 0.000 2.684 186 T HA -0.201 4.144 4.350 -0.009 0.000 0.267 186 T C 1.794 176.529 174.700 0.059 0.000 1.036 186 T CA 1.774 63.939 62.100 0.108 0.000 1.148 186 T CB -0.359 68.562 68.868 0.088 0.000 0.863 186 T HN 0.336 nan 8.240 nan 0.000 0.436 187 E N 0.757 120.987 120.200 0.051 0.000 2.110 187 E HA -0.041 4.304 4.350 -0.009 0.000 0.193 187 E C 2.252 178.867 176.600 0.026 0.000 0.988 187 E CA 0.764 57.185 56.400 0.036 0.000 0.804 187 E CB -0.305 29.413 29.700 0.030 0.000 0.745 187 E HN 0.418 nan 8.360 nan 0.000 0.458 188 L N 0.528 121.750 121.223 -0.002 0.000 2.017 188 L HA -0.173 4.162 4.340 -0.009 0.000 0.208 188 L C 2.494 179.277 176.870 -0.145 0.000 1.073 188 L CA 0.741 55.501 54.840 -0.133 0.000 0.745 188 L CB -0.413 41.532 42.059 -0.189 0.000 0.894 188 L HN 0.050 nan 8.230 nan 0.000 0.432 189 V N 0.201 120.065 119.914 -0.083 0.000 2.343 189 V HA -0.328 3.787 4.120 -0.009 0.000 0.247 189 V C 2.576 178.659 176.094 -0.019 0.000 1.051 189 V CA 1.993 64.246 62.300 -0.079 0.000 1.036 189 V CB -0.577 31.201 31.823 -0.076 0.000 0.654 189 V HN 0.464 nan 8.190 nan 0.000 0.451 190 K N 0.518 120.922 120.400 0.007 0.000 2.103 190 K HA -0.175 4.140 4.320 -0.009 0.000 0.207 190 K C 1.954 178.588 176.600 0.056 0.000 1.048 190 K CA 1.654 57.957 56.287 0.026 0.000 0.930 190 K CB -0.280 32.237 32.500 0.029 0.000 0.716 190 K HN 0.452 nan 8.250 nan 0.000 0.444 191 A N -0.258 122.620 122.820 0.096 0.000 2.206 191 A HA 0.141 4.456 4.320 -0.009 0.000 0.211 191 A C 1.398 179.131 177.584 0.249 0.000 1.158 191 A CA 1.135 53.284 52.037 0.185 0.000 0.761 191 A CB -0.217 18.969 19.000 0.310 0.000 0.801 191 A HN 0.616 nan 8.150 nan 0.000 0.473 192 G N -2.616 106.288 108.800 0.174 0.000 2.260 192 G HA2 0.213 4.168 3.960 -0.009 0.000 0.179 192 G HA3 0.213 4.168 3.960 -0.009 0.000 0.179 192 G C 0.410 175.400 174.900 0.150 0.000 1.002 192 G CA 0.002 45.201 45.100 0.165 0.000 0.677 192 G HN 1.416 nan 8.290 nan 0.000 0.486 193 A N 0.284 123.114 122.820 0.017 0.000 2.498 193 A HA 0.782 5.097 4.320 -0.009 0.000 0.239 193 A C 1.177 178.688 177.584 -0.121 0.000 1.068 193 A CA 1.685 53.633 52.037 -0.148 0.000 0.766 193 A CB 0.946 19.652 19.000 -0.490 0.000 1.003 193 A HN 1.238 nan 8.150 nan 0.000 0.497 194 S N 0.555 116.196 115.700 -0.097 0.000 3.386 194 S HA 0.291 4.756 4.470 -0.009 0.000 0.181 194 S C -0.128 174.316 174.600 -0.261 0.000 0.763 194 S CA -0.174 57.918 58.200 -0.179 0.000 0.847 194 S CB -0.389 62.746 63.200 -0.108 0.000 0.980 194 S HN 0.566 nan 8.310 nan 0.000 0.676 195 Y N 1.862 122.100 120.300 -0.104 0.000 2.526 195 Y HA 0.461 5.005 4.550 -0.009 0.000 0.330 195 Y C -0.006 175.794 175.900 -0.168 0.000 1.156 195 Y CA 0.465 58.493 58.100 -0.120 0.000 1.419 195 Y CB 0.287 38.750 38.460 0.005 0.000 1.250 195 Y HN 0.258 nan 8.280 nan 0.000 0.540 196 I N 3.568 124.086 120.570 -0.087 0.000 2.499 196 I HA 0.190 4.355 4.170 -0.009 0.000 0.288 196 I C -0.676 175.434 176.117 -0.012 0.000 1.048 196 I CA -0.910 60.339 61.300 -0.084 0.000 1.062 196 I CB 1.957 39.815 38.000 -0.238 0.000 1.238 196 I HN 0.479 nan 8.210 nan 0.000 0.426 197 Q N 6.144 125.956 119.800 0.020 0.000 2.314 197 Q HA 0.423 4.758 4.340 -0.009 0.000 0.257 197 Q C -1.571 174.485 176.000 0.093 0.000 0.975 197 Q CA -0.417 55.386 55.803 -0.001 0.000 0.933 197 Q CB 1.347 30.079 28.738 -0.009 0.000 1.195 197 Q HN 0.526 nan 8.270 nan 0.000 0.426 198 V N 4.701 124.656 119.914 0.067 0.000 2.313 198 V HA 0.159 4.274 4.120 -0.009 0.000 0.278 198 V C -0.825 175.278 176.094 0.016 0.000 1.017 198 V CA -0.912 61.472 62.300 0.139 0.000 0.823 198 V CB 1.342 33.277 31.823 0.186 0.000 1.010 198 V HN 0.779 nan 8.190 nan 0.000 0.443 199 D N 4.311 124.776 120.400 0.108 0.000 2.358 199 D HA 0.249 4.884 4.640 -0.009 0.000 0.258 199 D C 0.517 176.786 176.300 -0.051 0.000 1.223 199 D CA 0.321 54.350 54.000 0.048 0.000 0.886 199 D CB 0.802 41.779 40.800 0.295 0.000 1.120 199 D HN 0.447 nan 8.370 nan 0.000 0.482 200 E N 3.159 123.161 120.200 -0.331 0.000 4.052 200 E HA 0.108 4.453 4.350 -0.009 0.000 0.219 200 E C -1.848 174.552 176.600 -0.333 0.000 1.166 200 E CA -1.293 54.967 56.400 -0.233 0.000 1.338 200 E CB 1.214 30.742 29.700 -0.286 0.000 1.212 200 E HN 0.336 nan 8.360 nan 0.000 0.432 201 P HA -0.121 nan 4.420 nan 0.000 0.225 201 P C 1.467 178.481 177.300 -0.477 0.000 1.148 201 P CA 0.464 63.024 63.100 -0.900 0.000 0.779 201 P CB 0.398 31.087 31.700 -1.686 0.000 0.780 202 I N -0.889 119.561 120.570 -0.200 0.000 2.530 202 I HA -0.155 4.010 4.170 -0.009 0.000 0.257 202 I C 1.269 177.237 176.117 -0.248 0.000 1.179 202 I CA 1.070 62.315 61.300 -0.093 0.000 1.440 202 I CB -0.881 37.035 38.000 -0.140 0.000 1.087 202 I HN -0.254 nan 8.210 nan 0.000 0.440 203 F N -0.544 119.426 119.950 0.033 0.000 2.725 203 F HA 0.114 4.633 4.527 -0.014 0.000 0.303 203 F C 1.717 177.529 175.800 0.021 0.000 1.167 203 F CA 0.420 58.471 58.000 0.085 0.000 1.403 203 F CB -0.465 38.670 39.000 0.226 0.000 1.077 203 F HN 0.070 nan 8.300 nan 0.000 0.537 204 V N -3.980 115.964 119.914 0.050 0.000 3.477 204 V HA 0.252 4.367 4.120 -0.009 0.000 0.297 204 V C 0.743 176.860 176.094 0.039 0.000 1.433 204 V CA 0.380 62.696 62.300 0.026 0.000 1.052 204 V CB -0.540 31.247 31.823 -0.059 0.000 0.895 204 V HN 0.189 nan 8.190 nan 0.000 0.438 205 T N -3.033 111.543 114.554 0.038 0.000 2.944 205 T HA 0.378 4.722 4.350 -0.009 0.000 0.284 205 T C 0.570 175.269 174.700 -0.001 0.000 1.010 205 T CA 0.043 62.166 62.100 0.037 0.000 1.025 205 T CB 1.707 70.616 68.868 0.067 0.000 1.079 205 T HN 0.140 nan 8.240 nan 0.000 0.516 206 D N 0.175 120.565 120.400 -0.016 0.000 2.144 206 D HA -0.126 4.509 4.640 -0.009 0.000 0.199 206 D C 1.716 177.954 176.300 -0.103 0.000 0.984 206 D CA 1.267 55.241 54.000 -0.044 0.000 0.834 206 D CB -0.083 40.692 40.800 -0.041 0.000 0.955 206 D HN 0.871 nan 8.370 nan 0.000 0.465 207 E N 0.578 120.704 120.200 -0.123 0.000 2.160 207 E HA -0.134 4.211 4.350 -0.009 0.000 0.195 207 E C 2.104 178.462 176.600 -0.403 0.000 0.991 207 E CA 1.052 57.312 56.400 -0.233 0.000 0.810 207 E CB -0.216 29.392 29.700 -0.154 0.000 0.742 207 E HN 0.237 nan 8.360 nan 0.000 0.466 208 G N 1.978 110.628 108.800 -0.250 0.000 2.462 208 G HA2 -0.334 3.621 3.960 -0.009 0.000 0.220 208 G HA3 -0.334 3.621 3.960 -0.009 0.000 0.220 208 G C 1.490 176.300 174.900 -0.150 0.000 1.121 208 G CA 1.139 46.079 45.100 -0.266 0.000 0.758 208 G HN 0.426 nan 8.290 nan 0.000 0.559 209 K N 0.290 120.609 120.400 -0.134 0.000 2.281 209 K HA -0.087 4.228 4.320 -0.009 0.000 0.203 209 K C 1.196 177.705 176.600 -0.152 0.000 1.046 209 K CA 1.565 57.809 56.287 -0.071 0.000 0.938 209 K CB -0.112 32.346 32.500 -0.070 0.000 0.737 209 K HN 0.094 nan 8.250 nan 0.000 0.458 210 D N 0.126 120.276 120.400 -0.417 0.000 2.347 210 D HA -0.073 4.562 4.640 -0.009 0.000 0.215 210 D C 0.430 176.527 176.300 -0.338 0.000 0.976 210 D CA 0.799 54.513 54.000 -0.477 0.000 0.884 210 D CB 0.069 40.427 40.800 -0.736 0.000 0.915 210 D HN 0.394 nan 8.370 nan 0.000 0.526 211 Y N 0.132 120.451 120.300 0.031 0.000 2.636 211 Y HA 0.301 4.854 4.550 0.005 0.000 0.260 211 Y C 1.892 178.058 175.900 0.442 0.000 1.177 211 Y CA -0.639 57.569 58.100 0.180 0.000 1.209 211 Y CB -0.620 37.903 38.460 0.105 0.000 1.166 211 Y HN -0.132 nan 8.280 nan 0.000 0.531 212 L N -0.520 120.949 121.223 0.410 0.000 2.042 212 L HA -0.283 4.052 4.340 -0.009 0.000 0.210 212 L C 2.117 179.079 176.870 0.152 0.000 1.076 212 L CA 1.750 56.734 54.840 0.240 0.000 0.749 212 L CB -0.411 41.714 42.059 0.110 0.000 0.893 212 L HN 0.288 nan 8.230 nan 0.000 0.432 213 Q N -0.437 119.453 119.800 0.151 0.000 2.172 213 Q HA -0.115 4.220 4.340 -0.009 0.000 0.200 213 Q C 2.430 178.512 176.000 0.137 0.000 0.964 213 Q CA 1.249 57.116 55.803 0.106 0.000 0.855 213 Q CB -0.163 28.624 28.738 0.081 0.000 0.918 213 Q HN 0.554 nan 8.270 nan 0.000 0.444 214 A N 1.048 124.008 122.820 0.234 0.000 1.930 214 A HA -0.088 4.226 4.320 -0.009 0.000 0.217 214 A C 2.263 179.984 177.584 0.228 0.000 1.175 214 A CA 1.449 53.628 52.037 0.236 0.000 0.627 214 A CB -0.617 18.604 19.000 0.367 0.000 0.815 214 A HN 0.384 nan 8.150 nan 0.000 0.443 215 A N -0.082 122.927 122.820 0.314 0.000 1.898 215 A HA -0.155 4.160 4.320 -0.009 0.000 0.216 215 A C 2.122 179.814 177.584 0.182 0.000 1.181 215 A CA 1.976 54.191 52.037 0.297 0.000 0.620 215 A CB -0.459 18.494 19.000 -0.079 0.000 0.819 215 A HN 0.543 nan 8.150 nan 0.000 0.442 216 K N -0.322 120.118 120.400 0.068 0.000 2.032 216 K HA -0.115 4.200 4.320 -0.009 0.000 0.209 216 K C 2.161 178.777 176.600 0.025 0.000 1.048 216 K CA 1.346 57.653 56.287 0.032 0.000 0.927 216 K CB -0.341 32.165 32.500 0.010 0.000 0.712 216 K HN 0.367 nan 8.250 nan 0.000 0.441 217 A N 0.472 123.297 122.820 0.008 0.000 1.877 217 A HA -0.105 4.209 4.320 -0.009 0.000 0.216 217 A C 2.260 179.760 177.584 -0.139 0.000 1.186 217 A CA 1.657 53.668 52.037 -0.044 0.000 0.620 217 A CB -0.707 18.267 19.000 -0.044 0.000 0.822 217 A HN 0.172 nan 8.150 nan 0.000 0.443 218 V N -1.426 118.354 119.914 -0.224 0.000 2.261 218 V HA -0.278 3.836 4.120 -0.009 0.000 0.246 218 V C 2.389 177.997 176.094 -0.809 0.000 1.047 218 V CA 2.075 64.023 62.300 -0.587 0.000 1.015 218 V CB -1.044 30.407 31.823 -0.620 0.000 0.642 218 V HN 0.669 nan 8.190 nan 0.000 0.446 219 Y N 0.220 120.438 120.300 -0.136 0.000 2.439 219 Y HA 0.071 4.616 4.550 -0.009 0.000 0.292 219 Y C 2.369 178.252 175.900 -0.028 0.000 1.130 219 Y CA 0.783 58.854 58.100 -0.048 0.000 1.254 219 Y CB -0.705 37.753 38.460 -0.003 0.000 1.000 219 Y HN 0.188 nan 8.280 nan 0.000 0.554 220 A N -0.733 122.097 122.820 0.017 0.000 1.929 220 A HA -0.214 4.101 4.320 -0.009 0.000 0.216 220 A C 1.995 179.589 177.584 0.016 0.000 1.176 220 A CA 1.337 53.393 52.037 0.032 0.000 0.628 220 A CB -1.139 17.875 19.000 0.023 0.000 0.816 220 A HN 0.568 nan 8.150 nan 0.000 0.444 221 Y N -0.358 119.826 120.300 -0.192 0.000 2.145 221 Y HA -0.213 4.332 4.550 -0.009 0.000 0.286 221 Y C 1.889 177.740 175.900 -0.082 0.000 1.145 221 Y CA 1.922 59.900 58.100 -0.203 0.000 1.148 221 Y CB -0.436 37.793 38.460 -0.386 0.000 0.981 221 Y HN 0.255 nan 8.280 nan 0.000 0.507 222 F N 0.311 120.204 119.950 -0.095 0.000 2.134 222 F HA -0.118 4.404 4.527 -0.009 0.000 0.299 222 F C 2.672 178.462 175.800 -0.017 0.000 1.097 222 F CA 0.975 58.877 58.000 -0.164 0.000 1.264 222 F CB -1.543 37.183 39.000 -0.457 0.000 1.001 222 F HN 0.184 nan 8.300 nan 0.000 0.479 223 A N 0.662 123.606 122.820 0.207 0.000 1.940 223 A HA -0.247 4.068 4.320 -0.009 0.000 0.219 223 A C 2.277 179.924 177.584 0.105 0.000 1.176 223 A CA 2.178 54.339 52.037 0.207 0.000 0.631 223 A CB -0.777 18.314 19.000 0.151 0.000 0.814 223 A HN 0.524 nan 8.150 nan 0.000 0.446 224 K N -1.398 119.014 120.400 0.021 0.000 2.186 224 K HA 0.011 4.326 4.320 -0.009 0.000 0.202 224 K C 1.397 177.966 176.600 -0.052 0.000 1.052 224 K CA 1.167 57.442 56.287 -0.020 0.000 0.965 224 K CB -0.099 32.376 32.500 -0.041 0.000 0.746 224 K HN 0.230 nan 8.250 nan 0.000 0.457 225 E N 1.074 121.199 120.200 -0.126 0.000 2.158 225 E HA -0.008 4.337 4.350 -0.009 0.000 0.191 225 E C 0.362 176.972 176.600 0.017 0.000 0.982 225 E CA 0.797 57.121 56.400 -0.127 0.000 0.823 225 E CB 0.458 29.954 29.700 -0.340 0.000 0.766 225 E HN 0.146 nan 8.360 nan 0.000 0.468 226 V N 2.438 122.417 119.914 0.109 0.000 2.361 226 V HA 0.119 4.233 4.120 -0.009 0.000 0.252 226 V C -2.021 174.115 176.094 0.070 0.000 0.986 226 V CA -0.888 61.486 62.300 0.124 0.000 1.033 226 V CB 1.195 33.171 31.823 0.256 0.000 1.282 226 V HN -0.045 nan 8.190 nan 0.000 0.514 227 P HA -0.141 nan 4.420 nan 0.000 0.216 227 P C 0.970 178.233 177.300 -0.061 0.000 1.150 227 P CA 1.408 64.506 63.100 -0.002 0.000 0.843 227 P CB 0.273 31.969 31.700 -0.007 0.000 0.787 228 D N -1.164 119.181 120.400 -0.092 0.000 2.347 228 D HA 0.085 4.720 4.640 -0.009 0.000 0.213 228 D C 0.898 177.049 176.300 -0.249 0.000 0.985 228 D CA 0.308 54.225 54.000 -0.138 0.000 0.879 228 D CB -0.197 40.542 40.800 -0.103 0.000 0.919 228 D HN 0.120 nan 8.370 nan 0.000 0.526 229 A N 1.007 123.605 122.820 -0.371 0.000 2.388 229 A HA 0.235 4.550 4.320 -0.009 0.000 0.257 229 A C 0.279 177.435 177.584 -0.714 0.000 1.095 229 A CA -0.209 51.419 52.037 -0.683 0.000 0.791 229 A CB 0.450 18.717 19.000 -1.222 0.000 1.029 229 A HN -0.107 nan 8.150 nan 0.000 0.489 230 K N 2.595 122.599 120.400 -0.661 0.000 2.356 230 K HA 0.304 4.619 4.320 -0.009 0.000 0.243 230 K C -1.485 174.868 176.600 -0.410 0.000 1.072 230 K CA 0.024 56.011 56.287 -0.500 0.000 1.014 230 K CB 0.428 32.505 32.500 -0.704 0.000 1.523 230 K HN 0.547 nan 8.250 nan 0.000 0.455 231 F N 2.326 122.166 119.950 -0.183 0.000 2.484 231 F HA 0.195 4.718 4.527 -0.008 0.000 0.360 231 F C 0.811 176.500 175.800 -0.184 0.000 1.101 231 F CA -0.424 57.459 58.000 -0.195 0.000 1.251 231 F CB 0.399 39.303 39.000 -0.160 0.000 1.132 231 F HN 0.236 nan 8.300 nan 0.000 0.570 232 I N 4.618 125.178 120.570 -0.016 0.000 2.359 232 I HA 0.125 4.290 4.170 -0.009 0.000 0.284 232 I C -0.606 175.416 176.117 -0.158 0.000 1.018 232 I CA -0.598 60.578 61.300 -0.206 0.000 1.173 232 I CB 0.719 38.419 38.000 -0.500 0.000 1.326 232 I HN 0.413 nan 8.210 nan 0.000 0.462 233 F N 6.600 126.315 119.950 -0.391 0.000 2.541 233 F HA 0.200 4.720 4.527 -0.012 0.000 0.347 233 F C 0.718 176.397 175.800 -0.201 0.000 1.242 233 F CA -0.268 57.487 58.000 -0.409 0.000 1.123 233 F CB 0.165 38.777 39.000 -0.647 0.000 1.354 233 F HN 0.451 nan 8.300 nan 0.000 0.621 234 Q N 4.434 124.017 119.800 -0.363 0.000 2.295 234 Q HA 0.331 4.666 4.340 -0.009 0.000 0.259 234 Q C -0.311 175.469 176.000 -0.367 0.000 0.976 234 Q CA -0.161 55.506 55.803 -0.226 0.000 0.923 234 Q CB 0.877 29.569 28.738 -0.078 0.000 1.185 234 Q HN 0.687 nan 8.270 nan 0.000 0.410 235 T N 1.319 115.717 114.554 -0.259 0.000 2.916 235 T HA 0.845 5.190 4.350 -0.009 0.000 0.292 235 T C -1.110 173.381 174.700 -0.347 0.000 1.064 235 T CA -0.660 61.166 62.100 -0.457 0.000 1.011 235 T CB 1.041 69.779 68.868 -0.217 0.000 1.152 235 T HN 0.561 nan 8.240 nan 0.000 0.510 236 Y N -1.254 118.797 120.300 -0.416 0.000 2.662 236 Y HA 0.626 5.172 4.550 -0.006 0.000 0.334 236 Y C -0.441 175.097 175.900 -0.605 0.000 1.185 236 Y CA -2.236 55.549 58.100 -0.525 0.000 1.074 236 Y CB 0.204 38.221 38.460 -0.737 0.000 1.330 236 Y HN 0.650 nan 8.280 nan 0.000 0.458 237 F N -1.910 118.060 119.950 0.034 0.000 2.139 237 F HA -0.132 4.387 4.527 -0.012 0.000 0.476 237 F C 0.282 176.069 175.800 -0.022 0.000 0.528 237 F CA 0.645 58.576 58.000 -0.116 0.000 1.820 237 F CB -1.182 37.698 39.000 -0.201 0.000 2.549 237 F HN 0.751 nan 8.300 nan 0.000 0.250 238 E N -0.961 119.341 120.200 0.169 0.000 2.388 238 E HA 0.551 4.896 4.350 -0.009 0.000 0.269 238 E C 0.049 176.679 176.600 0.051 0.000 1.172 238 E CA -0.011 56.468 56.400 0.131 0.000 0.887 238 E CB 1.101 30.860 29.700 0.097 0.000 1.544 238 E HN 0.081 nan 8.360 nan 0.000 0.451 239 G N 0.441 109.261 108.800 0.035 0.000 2.606 239 G HA2 0.379 4.334 3.960 -0.009 0.000 0.252 239 G HA3 0.379 4.334 3.960 -0.009 0.000 0.252 239 G C -0.432 174.471 174.900 0.005 0.000 1.206 239 G CA -0.373 44.719 45.100 -0.012 0.000 0.861 239 G HN 0.207 nan 8.290 nan 0.000 0.561 240 L N 1.963 123.183 121.223 -0.004 0.000 2.418 240 L HA 0.332 4.666 4.340 -0.009 0.000 0.274 240 L C 0.823 177.740 176.870 0.078 0.000 1.135 240 L CA -0.493 54.383 54.840 0.061 0.000 0.870 240 L CB 0.185 42.281 42.059 0.061 0.000 1.154 240 L HN 0.468 nan 8.230 nan 0.000 0.462 241 I N 1.760 122.402 120.570 0.120 0.000 2.634 241 I HA 0.201 4.366 4.170 -0.009 0.000 0.284 241 I C -0.180 175.988 176.117 0.086 0.000 1.124 241 I CA -0.428 60.933 61.300 0.102 0.000 1.417 241 I CB 0.300 38.377 38.000 0.128 0.000 1.396 241 I HN 0.712 nan 8.210 nan 0.000 0.571 242 D N 3.937 124.365 120.400 0.047 0.000 2.735 242 D HA -0.197 4.438 4.640 -0.009 0.000 0.235 242 D C 1.434 177.728 176.300 -0.010 0.000 1.175 242 D CA 1.030 55.039 54.000 0.015 0.000 0.683 242 D CB -0.459 40.352 40.800 0.018 0.000 1.008 242 D HN 0.934 nan 8.370 nan 0.000 0.416 243 S N -0.632 115.070 115.700 0.003 0.000 2.383 243 S HA -0.265 4.200 4.470 -0.009 0.000 0.229 243 S C 1.719 176.238 174.600 -0.135 0.000 1.030 243 S CA 0.716 58.915 58.200 -0.001 0.000 1.002 243 S CB 0.162 63.416 63.200 0.089 0.000 0.829 243 S HN 0.250 nan 8.310 nan 0.000 0.467 244 Q N 0.935 120.660 119.800 -0.126 0.000 2.124 244 Q HA 0.037 4.372 4.340 -0.009 0.000 0.202 244 Q C 2.539 178.429 176.000 -0.184 0.000 0.977 244 Q CA 1.271 56.966 55.803 -0.180 0.000 0.850 244 Q CB -0.911 27.758 28.738 -0.114 0.000 0.901 244 Q HN 0.590 nan 8.270 nan 0.000 0.429 245 V N 0.860 120.695 119.914 -0.132 0.000 2.302 245 V HA -0.180 3.935 4.120 -0.009 0.000 0.243 245 V C 2.379 178.379 176.094 -0.158 0.000 1.036 245 V CA 1.181 63.409 62.300 -0.119 0.000 1.020 245 V CB -0.578 31.200 31.823 -0.076 0.000 0.657 245 V HN 0.233 nan 8.190 nan 0.000 0.453 246 L N 1.182 122.299 121.223 -0.177 0.000 2.265 246 L HA -0.131 4.204 4.340 -0.009 0.000 0.215 246 L C 2.634 179.352 176.870 -0.254 0.000 1.117 246 L CA 1.509 56.208 54.840 -0.234 0.000 0.782 246 L CB -0.715 41.196 42.059 -0.248 0.000 0.914 246 L HN 0.559 nan 8.230 nan 0.000 0.441 247 S N 0.094 115.542 115.700 -0.419 0.000 2.442 247 S HA -0.250 4.215 4.470 -0.009 0.000 0.236 247 S C 1.666 176.085 174.600 -0.302 0.000 1.007 247 S CA 1.093 58.843 58.200 -0.750 0.000 0.965 247 S CB -0.429 62.020 63.200 -1.251 0.000 0.773 247 S HN 0.719 nan 8.310 nan 0.000 0.504 248 Q N 0.489 120.192 119.800 -0.162 0.000 2.320 248 Q HA 0.373 4.707 4.340 -0.009 0.000 0.201 248 Q C 0.194 176.212 176.000 0.031 0.000 0.910 248 Q CA -0.326 55.447 55.803 -0.052 0.000 0.946 248 Q CB -0.404 28.287 28.738 -0.078 0.000 1.062 248 Q HN 0.468 nan 8.270 nan 0.000 0.503 249 L N 3.355 124.631 121.223 0.088 0.000 2.483 249 L HA 0.097 4.432 4.340 -0.009 0.000 0.276 249 L C -1.600 175.311 176.870 0.068 0.000 1.213 249 L CA -1.428 53.429 54.840 0.028 0.000 0.843 249 L CB 0.199 42.173 42.059 -0.141 0.000 1.107 249 L HN 0.094 nan 8.230 nan 0.000 0.487 250 P HA 0.062 nan 4.420 nan 0.000 0.228 250 P C -0.610 176.735 177.300 0.073 0.000 1.748 250 P CA 0.068 63.209 63.100 0.069 0.000 0.909 250 P CB -0.262 31.480 31.700 0.071 0.000 1.882 251 V N -2.816 117.097 119.914 -0.001 0.000 2.769 251 V HA 0.457 4.572 4.120 -0.009 0.000 0.312 251 V C 0.931 177.005 176.094 -0.032 0.000 1.058 251 V CA -0.648 61.628 62.300 -0.039 0.000 0.952 251 V CB 2.020 33.684 31.823 -0.265 0.000 1.019 251 V HN -0.154 nan 8.190 nan 0.000 0.445 252 D N 1.668 122.074 120.400 0.009 0.000 2.234 252 D HA 0.279 4.914 4.640 -0.009 0.000 0.205 252 D C 0.674 177.048 176.300 0.122 0.000 0.962 252 D CA 1.837 55.871 54.000 0.057 0.000 0.855 252 D CB 0.855 41.665 40.800 0.016 0.000 0.951 252 D HN 0.950 nan 8.370 nan 0.000 0.500 253 A N -0.242 122.593 122.820 0.025 0.000 2.572 253 A HA 0.603 4.917 4.320 -0.009 0.000 0.295 253 A C -1.642 175.863 177.584 -0.132 0.000 1.072 253 A CA -0.615 51.502 52.037 0.133 0.000 0.691 253 A CB 1.174 20.372 19.000 0.330 0.000 1.291 253 A HN -0.052 nan 8.150 nan 0.000 0.404 254 F N 0.489 120.541 119.950 0.171 0.000 2.507 254 F HA 0.589 5.111 4.527 -0.008 0.000 0.325 254 F C 0.917 176.770 175.800 0.088 0.000 1.116 254 F CA -0.296 57.770 58.000 0.111 0.000 0.930 254 F CB 2.661 41.664 39.000 0.007 0.000 1.146 254 F HN 0.728 nan 8.300 nan 0.000 0.447 255 G N 4.732 113.653 108.800 0.202 0.000 2.356 255 G HA2 0.607 4.562 3.960 -0.009 0.000 0.312 255 G HA3 0.607 4.562 3.960 -0.009 0.000 0.312 255 G C -1.079 173.877 174.900 0.092 0.000 1.096 255 G CA -0.433 44.764 45.100 0.162 0.000 0.950 255 G HN 0.531 nan 8.290 nan 0.000 0.428 256 L N 2.220 123.468 121.223 0.040 0.000 2.329 256 L HA 0.384 4.719 4.340 -0.009 0.000 0.279 256 L C -0.588 176.134 176.870 -0.247 0.000 1.014 256 L CA -1.128 53.591 54.840 -0.202 0.000 0.814 256 L CB 2.390 44.164 42.059 -0.475 0.000 1.257 256 L HN 0.358 nan 8.230 nan 0.000 0.424 257 D N 2.076 122.324 120.400 -0.253 0.000 2.365 257 D HA 0.159 4.794 4.640 -0.009 0.000 0.237 257 D C -0.003 176.160 176.300 -0.228 0.000 1.190 257 D CA -0.075 53.872 54.000 -0.088 0.000 0.867 257 D CB 0.775 41.607 40.800 0.054 0.000 1.050 257 D HN 0.256 nan 8.370 nan 0.000 0.491 258 F N 2.616 122.621 119.950 0.092 0.000 2.660 258 F HA 0.072 4.595 4.527 -0.006 0.000 0.302 258 F C 1.749 177.575 175.800 0.042 0.000 1.103 258 F CA -0.203 57.832 58.000 0.058 0.000 1.340 258 F CB 0.565 39.586 39.000 0.036 0.000 1.048 258 F HN 0.268 nan 8.300 nan 0.000 0.551 259 V N -1.991 118.024 119.914 0.167 0.000 2.908 259 V HA -0.094 4.021 4.120 -0.009 0.000 0.240 259 V C 1.060 177.026 176.094 -0.213 0.000 1.117 259 V CA 1.124 63.417 62.300 -0.011 0.000 1.133 259 V CB -0.266 31.544 31.823 -0.022 0.000 0.857 259 V HN 0.216 nan 8.190 nan 0.000 0.478 260 Y N 0.312 120.685 120.300 0.122 0.000 2.444 260 Y HA 0.498 5.041 4.550 -0.011 0.000 0.249 260 Y C 1.779 177.719 175.900 0.067 0.000 1.134 260 Y CA 0.581 58.747 58.100 0.110 0.000 1.261 260 Y CB 0.761 39.312 38.460 0.151 0.000 1.143 260 Y HN 0.248 nan 8.280 nan 0.000 0.523 261 G N -0.829 108.047 108.800 0.127 0.000 4.379 261 G HA2 0.141 4.095 3.960 -0.009 0.000 0.290 261 G HA3 0.141 4.095 3.960 -0.009 0.000 0.290 261 G C 0.844 175.746 174.900 0.002 0.000 1.065 261 G CA -0.096 45.028 45.100 0.040 0.000 0.833 261 G HN 0.180 nan 8.290 nan 0.000 0.512 262 L N 0.954 122.220 121.223 0.073 0.000 1.944 262 L HA -0.042 4.293 4.340 -0.009 0.000 0.218 262 L C 2.488 179.443 176.870 0.142 0.000 1.075 262 L CA 2.488 57.422 54.840 0.155 0.000 0.767 262 L CB -0.475 41.666 42.059 0.136 0.000 0.890 262 L HN 0.236 nan 8.230 nan 0.000 0.434 263 E N 0.007 120.263 120.200 0.093 0.000 2.049 263 E HA -0.246 4.099 4.350 -0.009 0.000 0.198 263 E C 2.088 178.734 176.600 0.076 0.000 1.007 263 E CA 2.055 58.504 56.400 0.080 0.000 0.809 263 E CB -0.302 29.432 29.700 0.057 0.000 0.749 263 E HN 0.655 nan 8.360 nan 0.000 0.450 264 E N 0.156 120.390 120.200 0.055 0.000 2.031 264 E HA -0.147 4.198 4.350 -0.009 0.000 0.193 264 E C 1.867 178.494 176.600 0.045 0.000 0.994 264 E CA 1.070 57.496 56.400 0.043 0.000 0.800 264 E CB -0.144 29.573 29.700 0.028 0.000 0.752 264 E HN 0.193 nan 8.360 nan 0.000 0.447 265 N N 0.739 119.437 118.700 -0.003 0.000 2.270 265 N HA -0.108 4.626 4.740 -0.009 0.000 0.181 265 N C 1.782 177.414 175.510 0.203 0.000 1.016 265 N CA 0.502 53.520 53.050 -0.053 0.000 0.870 265 N CB -0.140 38.033 38.487 -0.522 0.000 0.979 265 N HN 0.073 nan 8.380 nan 0.000 0.431 266 L N 1.875 123.270 121.223 0.287 0.000 2.093 266 L HA -0.052 4.282 4.340 -0.009 0.000 0.208 266 L C 1.843 178.819 176.870 0.176 0.000 1.085 266 L CA 1.567 56.587 54.840 0.299 0.000 0.755 266 L CB -0.413 41.775 42.059 0.216 0.000 0.904 266 L HN 0.115 nan 8.230 nan 0.000 0.435 267 E N -0.532 119.746 120.200 0.130 0.000 2.047 267 E HA -0.202 4.143 4.350 -0.009 0.000 0.191 267 E C 2.192 178.855 176.600 0.105 0.000 0.987 267 E CA 1.105 57.561 56.400 0.093 0.000 0.799 267 E CB -0.317 29.423 29.700 0.067 0.000 0.752 267 E HN 0.614 nan 8.360 nan 0.000 0.449 268 A N 1.573 124.474 122.820 0.134 0.000 1.908 268 A HA -0.198 4.116 4.320 -0.009 0.000 0.218 268 A C 2.152 179.884 177.584 0.247 0.000 1.181 268 A CA 1.173 53.317 52.037 0.178 0.000 0.627 268 A CB -0.463 18.698 19.000 0.269 0.000 0.818 268 A HN 0.124 nan 8.150 nan 0.000 0.445 269 I N -0.054 120.682 120.570 0.276 0.000 2.202 269 I HA -0.196 3.968 4.170 -0.009 0.000 0.242 269 I C 2.124 178.334 176.117 0.156 0.000 1.091 269 I CA 1.598 63.060 61.300 0.270 0.000 1.368 269 I CB -1.213 36.930 38.000 0.238 0.000 1.058 269 I HN 0.371 nan 8.210 nan 0.000 0.410 270 K N 0.329 120.797 120.400 0.113 0.000 2.360 270 K HA -0.123 4.192 4.320 -0.009 0.000 0.201 270 K C 1.835 178.463 176.600 0.046 0.000 1.046 270 K CA 1.644 57.971 56.287 0.067 0.000 0.945 270 K CB -0.241 32.291 32.500 0.054 0.000 0.750 270 K HN 0.506 nan 8.250 nan 0.000 0.464 271 T N -2.824 111.757 114.554 0.045 0.000 3.085 271 T HA 0.069 4.414 4.350 -0.009 0.000 0.263 271 T C 1.474 176.170 174.700 -0.006 0.000 1.127 271 T CA 0.727 62.833 62.100 0.009 0.000 1.103 271 T CB 0.085 68.945 68.868 -0.013 0.000 0.921 271 T HN 0.341 nan 8.240 nan 0.000 0.510 272 G N 0.674 109.485 108.800 0.018 0.000 2.159 272 G HA2 -0.183 3.772 3.960 -0.009 0.000 0.256 272 G HA3 -0.183 3.772 3.960 -0.009 0.000 0.256 272 G C 1.090 175.961 174.900 -0.048 0.000 0.977 272 G CA 0.211 45.316 45.100 0.009 0.000 0.652 272 G HN 1.114 nan 8.290 nan 0.000 0.531 273 A N -0.739 122.001 122.820 -0.133 0.000 2.070 273 A HA 0.410 4.725 4.320 -0.009 0.000 0.220 273 A C 1.514 178.773 177.584 -0.543 0.000 1.159 273 A CA 1.824 53.635 52.037 -0.376 0.000 0.656 273 A CB -0.310 18.352 19.000 -0.564 0.000 0.800 273 A HN 0.788 nan 8.150 nan 0.000 0.453 274 F N -1.209 118.713 119.950 -0.046 0.000 2.668 274 F HA 0.266 4.786 4.527 -0.012 0.000 0.301 274 F C 1.679 177.497 175.800 0.030 0.000 1.106 274 F CA -0.394 57.594 58.000 -0.020 0.000 1.289 274 F CB 0.505 39.493 39.000 -0.019 0.000 1.006 274 F HN -0.009 nan 8.300 nan 0.000 0.535 275 K N 0.933 121.408 120.400 0.125 0.000 2.209 275 K HA -0.045 4.270 4.320 -0.009 0.000 0.204 275 K C 1.767 178.426 176.600 0.098 0.000 1.048 275 K CA 1.201 57.546 56.287 0.096 0.000 0.940 275 K CB -0.395 32.133 32.500 0.046 0.000 0.729 275 K HN 0.419 nan 8.250 nan 0.000 0.451 276 G N 0.696 109.557 108.800 0.101 0.000 3.337 276 G HA2 0.060 4.015 3.960 -0.009 0.000 0.246 276 G HA3 0.060 4.015 3.960 -0.009 0.000 0.246 276 G C 0.037 175.034 174.900 0.161 0.000 1.131 276 G CA -0.222 44.939 45.100 0.103 0.000 0.773 276 G HN -0.006 nan 8.290 nan 0.000 0.544 277 K N 0.534 121.079 120.400 0.240 0.000 2.395 277 K HA 0.366 4.681 4.320 -0.009 0.000 0.247 277 K C -0.937 175.845 176.600 0.304 0.000 0.973 277 K CA -0.766 55.719 56.287 0.330 0.000 0.828 277 K CB 2.498 35.339 32.500 0.568 0.000 1.272 277 K HN 0.217 nan 8.250 nan 0.000 0.439 278 E N 2.174 122.561 120.200 0.312 0.000 2.259 278 E HA 0.209 4.554 4.350 -0.009 0.000 0.281 278 E C -0.640 176.169 176.600 0.347 0.000 1.027 278 E CA -0.508 56.063 56.400 0.284 0.000 0.838 278 E CB 0.632 30.531 29.700 0.331 0.000 1.066 278 E HN 0.259 nan 8.360 nan 0.000 0.401 279 I N 4.992 125.703 120.570 0.235 0.000 2.354 279 I HA 0.211 4.376 4.170 -0.009 0.000 0.292 279 I C -0.654 175.590 176.117 0.212 0.000 0.989 279 I CA -0.615 60.829 61.300 0.240 0.000 1.188 279 I CB 0.683 38.764 38.000 0.135 0.000 1.342 279 I HN 0.574 nan 8.210 nan 0.000 0.457 280 F N 4.854 124.863 119.950 0.098 0.000 2.334 280 F HA 0.448 4.969 4.527 -0.009 0.000 0.365 280 F C 0.838 176.714 175.800 0.127 0.000 1.124 280 F CA -0.646 57.397 58.000 0.072 0.000 1.166 280 F CB 0.954 39.983 39.000 0.049 0.000 1.355 280 F HN 0.502 nan 8.300 nan 0.000 0.532 281 A N 2.932 125.882 122.820 0.216 0.000 2.302 281 A HA 0.561 4.875 4.320 -0.009 0.000 0.295 281 A C 0.737 178.493 177.584 0.286 0.000 1.235 281 A CA -0.275 51.966 52.037 0.341 0.000 0.876 281 A CB -0.174 18.916 19.000 0.149 0.000 1.133 281 A HN 0.818 nan 8.150 nan 0.000 0.533 282 G N 1.669 110.670 108.800 0.336 0.000 2.530 282 G HA2 0.426 4.380 3.960 -0.009 0.000 0.313 282 G HA3 0.426 4.380 3.960 -0.009 0.000 0.313 282 G C 0.547 175.615 174.900 0.281 0.000 0.971 282 G CA 0.372 45.620 45.100 0.247 0.000 1.237 282 G HN 1.495 nan 8.290 nan 0.000 0.446 283 V N 1.079 121.114 119.914 0.202 0.000 3.528 283 V HA 0.438 4.552 4.120 -0.009 0.000 0.294 283 V C 0.428 176.607 176.094 0.143 0.000 1.404 283 V CA -0.162 62.237 62.300 0.165 0.000 1.065 283 V CB -0.087 31.780 31.823 0.074 0.000 0.904 283 V HN 0.431 nan 8.190 nan 0.000 0.435 284 I N 2.142 122.804 120.570 0.154 0.000 2.377 284 I HA 0.463 4.628 4.170 -0.009 0.000 0.293 284 I C -0.327 175.905 176.117 0.191 0.000 0.987 284 I CA -0.184 61.215 61.300 0.164 0.000 1.185 284 I CB 1.376 39.469 38.000 0.155 0.000 1.341 284 I HN 0.142 nan 8.210 nan 0.000 0.455 285 D N 5.064 125.585 120.400 0.202 0.000 2.389 285 D HA 0.041 4.676 4.640 -0.009 0.000 0.263 285 D C 1.170 177.626 176.300 0.260 0.000 1.255 285 D CA 0.303 54.458 54.000 0.259 0.000 0.914 285 D CB 1.098 42.045 40.800 0.245 0.000 1.116 285 D HN 0.785 nan 8.370 nan 0.000 0.502 286 G N 3.548 112.529 108.800 0.301 0.000 2.985 286 G HA2 -0.078 3.877 3.960 -0.009 0.000 0.209 286 G HA3 -0.078 3.877 3.960 -0.009 0.000 0.209 286 G C 1.181 176.229 174.900 0.247 0.000 1.165 286 G CA -0.135 45.100 45.100 0.226 0.000 0.776 286 G HN 0.460 nan 8.290 nan 0.000 0.541 287 R N -0.627 120.061 120.500 0.313 0.000 2.535 287 R HA 0.250 4.585 4.340 -0.009 0.000 0.323 287 R C -0.232 176.286 176.300 0.363 0.000 0.979 287 R CA -0.304 55.983 56.100 0.313 0.000 1.120 287 R CB 0.452 30.879 30.300 0.212 0.000 1.306 287 R HN 0.084 nan 8.270 nan 0.000 0.540 288 N N 0.527 119.358 118.700 0.218 0.000 2.697 288 N HA 0.216 4.951 4.740 -0.009 0.000 0.272 288 N C -0.564 174.773 175.510 -0.289 0.000 1.381 288 N CA -0.539 52.543 53.050 0.054 0.000 0.797 288 N CB 1.814 40.484 38.487 0.305 0.000 1.523 288 N HN -0.072 nan 8.380 nan 0.000 0.518 289 I N -2.054 118.120 120.570 -0.660 0.000 3.816 289 I HA 0.489 4.654 4.170 -0.009 0.000 0.334 289 I C -0.706 175.089 176.117 -0.537 0.000 1.551 289 I CA -1.109 59.816 61.300 -0.624 0.000 1.153 289 I CB -0.748 36.725 38.000 -0.879 0.000 1.197 289 I HN 0.200 nan 8.210 nan 0.000 0.439 290 W N 1.579 122.931 121.300 0.086 0.000 2.438 290 W HA 0.655 5.309 4.660 -0.010 0.000 0.324 290 W C 0.890 177.499 176.519 0.149 0.000 1.119 290 W CA -0.895 56.524 57.345 0.123 0.000 1.221 290 W CB 1.170 30.718 29.460 0.146 0.000 1.253 290 W HN 0.181 nan 8.180 nan 0.000 0.555 291 S N 1.340 117.272 115.700 0.387 0.000 2.568 291 S HA 0.137 4.601 4.470 -0.009 0.000 0.282 291 S C 0.365 175.179 174.600 0.357 0.000 1.338 291 S CA -0.789 57.580 58.200 0.282 0.000 1.045 291 S CB 1.223 64.471 63.200 0.079 0.000 0.873 291 S HN 0.490 nan 8.310 nan 0.000 0.516 292 S N 0.718 116.571 115.700 0.255 0.000 2.573 292 S HA 0.047 4.512 4.470 -0.009 0.000 0.277 292 S C -0.143 174.329 174.600 -0.213 0.000 1.346 292 S CA -0.429 57.846 58.200 0.124 0.000 1.034 292 S CB 0.136 63.459 63.200 0.204 0.000 0.879 292 S HN 0.821 nan 8.310 nan 0.000 0.528 293 D N 3.991 124.189 120.400 -0.337 0.000 2.441 293 D HA 0.137 4.772 4.640 -0.009 0.000 0.221 293 D C 0.704 176.857 176.300 -0.245 0.000 1.156 293 D CA -0.401 53.130 54.000 -0.782 0.000 0.896 293 D CB -0.316 40.231 40.800 -0.421 0.000 1.028 293 D HN 0.451 nan 8.370 nan 0.000 0.509 294 F N 2.560 122.223 119.950 -0.478 0.000 2.134 294 F HA -0.187 4.335 4.527 -0.009 0.000 0.299 294 F C 2.341 178.007 175.800 -0.224 0.000 1.097 294 F CA 0.455 58.225 58.000 -0.384 0.000 1.264 294 F CB -0.823 37.771 39.000 -0.677 0.000 1.001 294 F HN 0.271 nan 8.300 nan 0.000 0.479 295 V N 0.257 120.156 119.914 -0.026 0.000 2.287 295 V HA -0.324 3.791 4.120 -0.009 0.000 0.248 295 V C 2.509 178.602 176.094 -0.001 0.000 1.053 295 V CA 2.223 64.524 62.300 0.003 0.000 1.027 295 V CB -0.727 31.094 31.823 -0.004 0.000 0.646 295 V HN 0.256 nan 8.190 nan 0.000 0.447 296 K N -0.166 120.217 120.400 -0.029 0.000 2.002 296 K HA -0.195 4.120 4.320 -0.009 0.000 0.209 296 K C 2.184 178.775 176.600 -0.014 0.000 1.048 296 K CA 2.126 58.404 56.287 -0.015 0.000 0.930 296 K CB -0.391 32.098 32.500 -0.018 0.000 0.714 296 K HN 0.492 nan 8.250 nan 0.000 0.438 297 T N 0.546 115.093 114.554 -0.011 0.000 2.746 297 T HA -0.083 4.262 4.350 -0.009 0.000 0.267 297 T C 2.023 176.693 174.700 -0.049 0.000 1.039 297 T CA 1.631 63.721 62.100 -0.017 0.000 1.142 297 T CB -0.189 68.689 68.868 0.018 0.000 0.866 297 T HN 0.234 nan 8.240 nan 0.000 0.444 298 S N 1.225 116.899 115.700 -0.043 0.000 2.383 298 S HA 0.023 4.488 4.470 -0.009 0.000 0.227 298 S C 2.559 177.149 174.600 -0.017 0.000 1.026 298 S CA 0.842 59.023 58.200 -0.031 0.000 0.981 298 S CB -0.462 62.741 63.200 0.005 0.000 0.818 298 S HN 0.587 nan 8.310 nan 0.000 0.472 299 A N 1.423 124.238 122.820 -0.009 0.000 1.902 299 A HA -0.035 4.279 4.320 -0.009 0.000 0.217 299 A C 2.108 179.662 177.584 -0.049 0.000 1.181 299 A CA 1.327 53.355 52.037 -0.015 0.000 0.623 299 A CB -0.693 18.305 19.000 -0.003 0.000 0.818 299 A HN 0.430 nan 8.150 nan 0.000 0.443 300 L N -0.127 121.055 121.223 -0.067 0.000 2.017 300 L HA -0.111 4.224 4.340 -0.009 0.000 0.208 300 L C 2.247 179.010 176.870 -0.179 0.000 1.073 300 L CA 1.735 56.503 54.840 -0.121 0.000 0.745 300 L CB -0.546 41.437 42.059 -0.128 0.000 0.894 300 L HN 0.392 nan 8.230 nan 0.000 0.432 301 L N -0.525 120.603 121.223 -0.159 0.000 2.079 301 L HA -0.236 4.098 4.340 -0.009 0.000 0.210 301 L C 2.548 179.335 176.870 -0.137 0.000 1.081 301 L CA 1.609 56.347 54.840 -0.170 0.000 0.752 301 L CB -0.647 41.332 42.059 -0.133 0.000 0.896 301 L HN 0.410 nan 8.230 nan 0.000 0.433 302 E N -0.688 119.452 120.200 -0.099 0.000 2.110 302 E HA -0.177 4.168 4.350 -0.009 0.000 0.193 302 E C 2.081 178.634 176.600 -0.079 0.000 0.988 302 E CA 1.689 58.041 56.400 -0.081 0.000 0.804 302 E CB -0.181 29.485 29.700 -0.058 0.000 0.745 302 E HN 0.458 nan 8.360 nan 0.000 0.458 303 T N 1.455 115.956 114.554 -0.088 0.000 2.777 303 T HA -0.094 4.251 4.350 -0.009 0.000 0.266 303 T C 1.994 176.639 174.700 -0.091 0.000 1.040 303 T CA 0.810 62.864 62.100 -0.077 0.000 1.141 303 T CB -0.134 68.688 68.868 -0.076 0.000 0.868 303 T HN 0.104 nan 8.240 nan 0.000 0.444 304 I N 0.880 121.354 120.570 -0.159 0.000 2.252 304 I HA -0.139 4.026 4.170 -0.009 0.000 0.245 304 I C 2.757 178.823 176.117 -0.085 0.000 1.102 304 I CA 1.308 62.505 61.300 -0.172 0.000 1.385 304 I CB -0.339 37.461 38.000 -0.335 0.000 1.064 304 I HN 0.319 nan 8.210 nan 0.000 0.414 305 E N 1.179 121.326 120.200 -0.088 0.000 2.110 305 E HA -0.306 4.039 4.350 -0.009 0.000 0.193 305 E C 2.061 178.642 176.600 -0.031 0.000 0.988 305 E CA 1.392 57.757 56.400 -0.058 0.000 0.804 305 E CB -0.007 29.650 29.700 -0.072 0.000 0.745 305 E HN 0.468 nan 8.360 nan 0.000 0.458 306 E N -0.471 119.710 120.200 -0.032 0.000 2.338 306 E HA -0.148 4.196 4.350 -0.009 0.000 0.197 306 E C 1.198 177.801 176.600 0.005 0.000 1.007 306 E CA 0.625 57.016 56.400 -0.016 0.000 0.849 306 E CB 0.290 29.977 29.700 -0.021 0.000 0.774 306 E HN 0.182 nan 8.360 nan 0.000 0.506 307 Q N 0.207 120.015 119.800 0.015 0.000 2.172 307 Q HA 0.137 4.472 4.340 -0.009 0.000 0.217 307 Q C -0.411 175.642 176.000 0.088 0.000 0.832 307 Q CA 0.062 55.895 55.803 0.050 0.000 1.010 307 Q CB 1.501 30.276 28.738 0.061 0.000 1.133 307 Q HN 0.143 nan 8.270 nan 0.000 0.489 308 S N -2.328 113.415 115.700 0.071 0.000 2.595 308 S HA 0.718 5.183 4.470 -0.009 0.000 0.281 308 S C 0.635 175.284 174.600 0.083 0.000 1.117 308 S CA -0.297 57.967 58.200 0.106 0.000 0.873 308 S CB 1.774 65.033 63.200 0.099 0.000 1.108 308 S HN 0.021 nan 8.310 nan 0.000 0.477 309 A N 0.736 123.621 122.820 0.109 0.000 1.968 309 A HA 0.640 4.955 4.320 -0.009 0.000 0.217 309 A C 1.067 178.692 177.584 0.068 0.000 1.169 309 A CA 1.131 53.220 52.037 0.087 0.000 0.638 309 A CB -0.793 18.272 19.000 0.109 0.000 0.812 309 A HN 1.881 nan 8.150 nan 0.000 0.446 310 A N -1.485 121.380 122.820 0.075 0.000 2.608 310 A HA 0.611 4.925 4.320 -0.009 0.000 0.292 310 A C -1.116 176.475 177.584 0.010 0.000 1.066 310 A CA -0.131 51.929 52.037 0.039 0.000 0.676 310 A CB 0.472 19.511 19.000 0.065 0.000 1.277 310 A HN 1.281 nan 8.150 nan 0.000 0.413 311 L N -0.895 120.290 121.223 -0.064 0.000 2.445 311 L HA 0.973 5.308 4.340 -0.009 0.000 0.262 311 L C -1.138 175.574 176.870 -0.263 0.000 0.974 311 L CA -0.318 54.445 54.840 -0.129 0.000 0.822 311 L CB 2.431 44.430 42.059 -0.099 0.000 1.339 311 L HN 0.565 nan 8.230 nan 0.000 0.409 312 T N 4.209 118.492 114.554 -0.451 0.000 2.841 312 T HA 0.627 4.972 4.350 -0.009 0.000 0.283 312 T C -0.296 174.175 174.700 -0.381 0.000 1.000 312 T CA -0.311 61.421 62.100 -0.613 0.000 0.977 312 T CB 1.618 69.625 68.868 -1.434 0.000 0.979 312 T HN 0.489 nan 8.240 nan 0.000 0.446 313 I N 3.685 124.113 120.570 -0.238 0.000 2.392 313 I HA 0.520 4.685 4.170 -0.009 0.000 0.295 313 I C 0.214 176.302 176.117 -0.048 0.000 0.985 313 I CA -0.505 60.729 61.300 -0.109 0.000 1.221 313 I CB 1.296 39.239 38.000 -0.095 0.000 1.366 313 I HN 0.687 nan 8.210 nan 0.000 0.467 314 Q N 5.437 125.256 119.800 0.033 0.000 2.782 314 Q HA 0.589 4.924 4.340 -0.009 0.000 0.308 314 Q C -3.055 173.010 176.000 0.109 0.000 0.883 314 Q CA -1.880 53.970 55.803 0.079 0.000 0.755 314 Q CB 1.791 30.606 28.738 0.128 0.000 1.454 314 Q HN 0.146 nan 8.270 nan 0.000 0.452 315 P HA 0.195 nan 4.420 nan 0.000 0.275 315 P C 0.036 177.424 177.300 0.147 0.000 1.266 315 P CA -0.266 62.913 63.100 0.132 0.000 0.793 315 P CB 0.709 32.481 31.700 0.119 0.000 1.074 316 S N -0.906 114.905 115.700 0.184 0.000 2.368 316 S HA -0.057 4.408 4.470 -0.009 0.000 0.225 316 S C 0.905 175.574 174.600 0.113 0.000 1.030 316 S CA 1.187 59.515 58.200 0.213 0.000 0.999 316 S CB -0.609 62.808 63.200 0.362 0.000 0.844 316 S HN 0.717 nan 8.310 nan 0.000 0.459 317 C N -1.202 118.133 119.300 0.057 0.000 3.340 317 C HA 0.776 5.231 4.460 -0.009 0.000 0.333 317 C C 0.256 175.197 174.990 -0.082 0.000 1.464 317 C CA -1.479 57.437 59.018 -0.170 0.000 1.337 317 C CB 0.893 28.555 27.740 -0.129 0.000 1.740 317 C HN 0.189 nan 8.230 nan 0.000 0.450 318 S N -0.320 115.271 115.700 -0.183 0.000 2.558 318 S HA 0.167 4.632 4.470 -0.009 0.000 0.291 318 S C 0.784 175.357 174.600 -0.045 0.000 1.306 318 S CA -0.361 57.763 58.200 -0.127 0.000 1.056 318 S CB -0.153 62.894 63.200 -0.255 0.000 0.836 318 S HN 0.668 nan 8.310 nan 0.000 0.504 319 L N 4.810 125.990 121.223 -0.071 0.000 2.622 319 L HA 0.003 4.338 4.340 -0.009 0.000 0.233 319 L C 2.008 178.732 176.870 -0.242 0.000 1.156 319 L CA 0.086 54.872 54.840 -0.091 0.000 0.866 319 L CB -0.586 41.441 42.059 -0.053 0.000 0.980 319 L HN 0.699 nan 8.230 nan 0.000 0.448 320 L N -0.642 120.368 121.223 -0.355 0.000 2.187 320 L HA -0.204 4.130 4.340 -0.009 0.000 0.213 320 L C 2.221 178.795 176.870 -0.495 0.000 1.100 320 L CA 1.831 56.351 54.840 -0.534 0.000 0.765 320 L CB -0.621 40.983 42.059 -0.758 0.000 0.904 320 L HN 0.299 nan 8.230 nan 0.000 0.437 321 H N -0.567 118.451 119.070 -0.088 0.000 2.533 321 H HA 0.329 4.880 4.556 -0.007 0.000 0.271 321 H C 0.114 175.485 175.328 0.072 0.000 1.000 321 H CA 0.679 56.742 56.048 0.025 0.000 1.149 321 H CB -0.425 29.394 29.762 0.095 0.000 1.375 321 H HN 0.352 nan 8.280 nan 0.000 0.582 322 V N -2.494 117.434 119.914 0.024 0.000 3.160 322 V HA 0.542 4.656 4.120 -0.009 0.000 0.310 322 V C -2.718 173.267 176.094 -0.182 0.000 1.181 322 V CA -2.620 59.639 62.300 -0.068 0.000 1.047 322 V CB 2.816 34.527 31.823 -0.186 0.000 1.068 322 V HN -0.212 nan 8.190 nan 0.000 0.441 323 P HA 0.282 nan 4.420 nan 0.000 0.275 323 P C 0.909 178.120 177.300 -0.149 0.000 1.266 323 P CA -0.107 62.835 63.100 -0.262 0.000 0.793 323 P CB 1.171 32.594 31.700 -0.461 0.000 1.074 324 V N -0.872 119.028 119.914 -0.024 0.000 2.270 324 V HA -0.052 4.063 4.120 -0.009 0.000 0.245 324 V C 1.475 177.680 176.094 0.185 0.000 1.043 324 V CA 2.287 64.590 62.300 0.004 0.000 1.014 324 V CB -0.725 31.105 31.823 0.012 0.000 0.645 324 V HN 0.782 nan 8.190 nan 0.000 0.447 325 T N -1.921 112.831 114.554 0.330 0.000 2.957 325 T HA 0.279 4.624 4.350 -0.009 0.000 0.336 325 T C 0.586 175.327 174.700 0.068 0.000 1.462 325 T CA 0.176 62.408 62.100 0.220 0.000 1.073 325 T CB 1.771 70.709 68.868 0.117 0.000 1.319 325 T HN 0.378 nan 8.240 nan 0.000 0.485 326 T N 0.866 115.200 114.554 -0.366 0.000 3.113 326 T HA 0.129 4.474 4.350 -0.009 0.000 0.256 326 T C 1.768 176.346 174.700 -0.203 0.000 1.131 326 T CA 0.705 62.450 62.100 -0.592 0.000 1.074 326 T CB -0.167 68.250 68.868 -0.751 0.000 0.944 326 T HN 0.683 nan 8.240 nan 0.000 0.516 327 K N 2.090 122.437 120.400 -0.087 0.000 2.071 327 K HA -0.236 4.079 4.320 -0.009 0.000 0.217 327 K C 1.207 177.813 176.600 0.010 0.000 1.054 327 K CA 2.097 58.369 56.287 -0.025 0.000 0.937 327 K CB -0.281 32.223 32.500 0.007 0.000 0.719 327 K HN 0.355 nan 8.250 nan 0.000 0.454 328 N N 1.046 119.789 118.700 0.073 0.000 2.251 328 N HA -0.008 4.727 4.740 -0.009 0.000 0.217 328 N C -0.647 175.016 175.510 0.255 0.000 1.124 328 N CA 0.203 53.347 53.050 0.157 0.000 0.843 328 N CB 0.778 39.339 38.487 0.123 0.000 1.024 328 N HN 0.205 nan 8.380 nan 0.000 0.501 329 E N 1.235 121.507 120.200 0.120 0.000 1.972 329 E HA 0.024 4.369 4.350 -0.009 0.000 0.292 329 E C 1.187 177.784 176.600 -0.005 0.000 1.193 329 E CA 0.017 56.446 56.400 0.048 0.000 1.228 329 E CB -0.076 29.598 29.700 -0.045 0.000 1.167 329 E HN 0.326 nan 8.360 nan 0.000 0.479 330 T N -2.246 112.327 114.554 0.031 0.000 2.995 330 T HA -0.100 4.245 4.350 -0.009 0.000 0.269 330 T C 0.936 175.622 174.700 -0.024 0.000 1.091 330 T CA 0.610 62.713 62.100 0.006 0.000 1.128 330 T CB 0.180 69.070 68.868 0.037 0.000 0.891 330 T HN 0.015 nan 8.240 nan 0.000 0.492 331 D N 1.018 121.393 120.400 -0.042 0.000 2.355 331 D HA 0.202 4.837 4.640 -0.009 0.000 0.218 331 D C 0.653 176.906 176.300 -0.079 0.000 1.004 331 D CA 0.132 54.099 54.000 -0.055 0.000 0.880 331 D CB -0.053 40.708 40.800 -0.064 0.000 0.911 331 D HN 0.456 nan 8.370 nan 0.000 0.528 332 L N 1.038 122.203 121.223 -0.097 0.000 2.436 332 L HA 0.109 4.444 4.340 -0.009 0.000 0.265 332 L C 0.928 177.725 176.870 -0.122 0.000 1.168 332 L CA -0.536 54.219 54.840 -0.141 0.000 0.815 332 L CB 0.677 42.638 42.059 -0.164 0.000 1.109 332 L HN -0.130 nan 8.230 nan 0.000 0.462 333 D N 2.486 122.798 120.400 -0.147 0.000 2.414 333 D HA 0.037 4.672 4.640 -0.009 0.000 0.242 333 D C -1.786 174.470 176.300 -0.073 0.000 1.129 333 D CA -1.335 52.616 54.000 -0.081 0.000 0.885 333 D CB 1.846 42.616 40.800 -0.049 0.000 1.198 333 D HN 0.227 nan 8.370 nan 0.000 0.437 334 P HA -0.149 nan 4.420 nan 0.000 0.216 334 P C 1.506 178.755 177.300 -0.084 0.000 1.150 334 P CA 0.403 63.456 63.100 -0.078 0.000 0.837 334 P CB 0.260 31.918 31.700 -0.070 0.000 0.786 335 V N -0.649 119.252 119.914 -0.022 0.000 2.515 335 V HA -0.177 3.938 4.120 -0.009 0.000 0.250 335 V C 2.002 178.133 176.094 0.062 0.000 1.058 335 V CA 1.535 63.839 62.300 0.007 0.000 1.064 335 V CB -0.925 30.940 31.823 0.070 0.000 0.675 335 V HN -0.026 nan 8.190 nan 0.000 0.461 336 L N 0.646 121.911 121.223 0.071 0.000 2.049 336 L HA 0.003 4.338 4.340 -0.009 0.000 0.203 336 L C 2.594 179.445 176.870 -0.031 0.000 1.074 336 L CA 2.467 57.332 54.840 0.041 0.000 0.749 336 L CB -1.098 40.842 42.059 -0.199 0.000 0.907 336 L HN 0.305 nan 8.230 nan 0.000 0.439 337 R N -0.409 120.027 120.500 -0.108 0.000 2.117 337 R HA -0.190 4.145 4.340 -0.009 0.000 0.243 337 R C 1.770 177.985 176.300 -0.141 0.000 1.143 337 R CA 1.717 57.725 56.100 -0.153 0.000 0.968 337 R CB -0.280 29.925 30.300 -0.158 0.000 0.863 337 R HN 0.476 nan 8.270 nan 0.000 0.444 338 N N -0.538 118.078 118.700 -0.140 0.000 2.520 338 N HA -0.063 4.672 4.740 -0.009 0.000 0.185 338 N C 1.058 176.522 175.510 -0.078 0.000 1.068 338 N CA 1.252 54.199 53.050 -0.171 0.000 0.911 338 N CB 0.207 38.444 38.487 -0.417 0.000 0.961 338 N HN 0.404 nan 8.380 nan 0.000 0.446 339 G N -0.678 108.113 108.800 -0.014 0.000 3.277 339 G HA2 0.297 4.252 3.960 -0.009 0.000 0.243 339 G HA3 0.297 4.252 3.960 -0.009 0.000 0.243 339 G C 0.212 175.213 174.900 0.169 0.000 1.107 339 G CA -0.208 44.940 45.100 0.080 0.000 0.771 339 G HN 0.075 nan 8.290 nan 0.000 0.544 340 L N 0.671 121.905 121.223 0.018 0.000 2.334 340 L HA 0.798 5.133 4.340 -0.009 0.000 0.272 340 L C -0.187 176.625 176.870 -0.097 0.000 1.020 340 L CA -0.994 53.800 54.840 -0.076 0.000 0.812 340 L CB 2.233 44.132 42.059 -0.267 0.000 1.264 340 L HN 0.028 nan 8.230 nan 0.000 0.439 341 A N 1.937 124.741 122.820 -0.027 0.000 2.497 341 A HA 0.688 5.003 4.320 -0.009 0.000 0.280 341 A C -1.146 176.579 177.584 0.234 0.000 1.065 341 A CA -0.440 51.624 52.037 0.045 0.000 0.781 341 A CB 0.642 19.710 19.000 0.113 0.000 1.289 341 A HN 0.378 nan 8.150 nan 0.000 0.415 342 F N 1.185 121.078 119.950 -0.096 0.000 2.355 342 F HA 0.688 5.210 4.527 -0.008 0.000 0.340 342 F C 1.998 177.764 175.800 -0.057 0.000 1.067 342 F CA -0.552 57.374 58.000 -0.123 0.000 1.116 342 F CB 0.169 39.103 39.000 -0.110 0.000 1.582 342 F HN 0.621 nan 8.300 nan 0.000 0.512 343 A N 0.351 123.252 122.820 0.135 0.000 1.869 343 A HA -0.231 4.084 4.320 -0.009 0.000 0.218 343 A C 1.833 179.515 177.584 0.164 0.000 1.203 343 A CA 2.458 54.538 52.037 0.072 0.000 0.638 343 A CB -1.044 17.887 19.000 -0.115 0.000 0.831 343 A HN 0.687 nan 8.150 nan 0.000 0.450 344 D N -0.555 119.958 120.400 0.188 0.000 2.144 344 D HA -0.091 4.544 4.640 -0.009 0.000 0.199 344 D C 1.872 178.252 176.300 0.133 0.000 0.984 344 D CA 1.543 55.653 54.000 0.183 0.000 0.834 344 D CB -0.371 40.527 40.800 0.163 0.000 0.955 344 D HN 0.568 nan 8.370 nan 0.000 0.465 345 E N 0.387 120.657 120.200 0.116 0.000 2.208 345 E HA -0.041 4.304 4.350 -0.009 0.000 0.193 345 E C 1.813 178.494 176.600 0.135 0.000 0.988 345 E CA 0.655 57.116 56.400 0.103 0.000 0.828 345 E CB 0.008 29.743 29.700 0.060 0.000 0.763 345 E HN 0.240 nan 8.360 nan 0.000 0.478 346 K N 0.063 120.547 120.400 0.141 0.000 2.217 346 K HA 0.023 4.338 4.320 -0.009 0.000 0.202 346 K C 1.865 178.547 176.600 0.136 0.000 1.051 346 K CA 0.562 56.938 56.287 0.148 0.000 0.952 346 K CB 0.004 32.586 32.500 0.137 0.000 0.736 346 K HN 0.118 nan 8.250 nan 0.000 0.453 347 L N 0.422 121.722 121.223 0.127 0.000 2.093 347 L HA -0.151 4.184 4.340 -0.009 0.000 0.208 347 L C 2.237 179.163 176.870 0.094 0.000 1.085 347 L CA 1.169 56.070 54.840 0.102 0.000 0.755 347 L CB -0.647 41.468 42.059 0.093 0.000 0.904 347 L HN 0.158 nan 8.230 nan 0.000 0.435 348 T N -0.779 113.841 114.554 0.110 0.000 2.777 348 T HA -0.149 4.196 4.350 -0.009 0.000 0.266 348 T C 1.728 176.518 174.700 0.149 0.000 1.040 348 T CA 1.158 63.328 62.100 0.116 0.000 1.141 348 T CB -0.108 68.833 68.868 0.122 0.000 0.868 348 T HN 0.383 nan 8.240 nan 0.000 0.444 349 E N 0.555 120.870 120.200 0.191 0.000 2.077 349 E HA -0.098 4.247 4.350 -0.009 0.000 0.193 349 E C 2.364 179.047 176.600 0.137 0.000 0.989 349 E CA 0.984 57.546 56.400 0.270 0.000 0.800 349 E CB -0.264 29.622 29.700 0.309 0.000 0.746 349 E HN 0.245 nan 8.360 nan 0.000 0.452 350 V N 1.601 121.571 119.914 0.094 0.000 2.295 350 V HA -0.277 3.838 4.120 -0.009 0.000 0.246 350 V C 2.337 178.426 176.094 -0.009 0.000 1.049 350 V CA 1.932 64.249 62.300 0.030 0.000 1.024 350 V CB -0.435 31.411 31.823 0.038 0.000 0.648 350 V HN 0.145 nan 8.190 nan 0.000 0.447 351 K N 0.801 121.211 120.400 0.017 0.000 2.032 351 K HA -0.192 4.123 4.320 -0.009 0.000 0.209 351 K C 2.206 178.798 176.600 -0.014 0.000 1.048 351 K CA 1.756 58.043 56.287 0.001 0.000 0.927 351 K CB -0.390 32.124 32.500 0.023 0.000 0.712 351 K HN 0.353 nan 8.250 nan 0.000 0.441 352 R N -0.191 120.316 120.500 0.012 0.000 2.115 352 R HA 0.012 4.347 4.340 -0.009 0.000 0.230 352 R C 2.361 178.579 176.300 -0.137 0.000 1.111 352 R CA 1.269 57.369 56.100 0.001 0.000 0.976 352 R CB -0.299 30.078 30.300 0.128 0.000 0.870 352 R HN 0.187 nan 8.270 nan 0.000 0.445 353 L N -0.123 120.954 121.223 -0.244 0.000 2.056 353 L HA -0.136 4.199 4.340 -0.009 0.000 0.207 353 L C 2.578 179.342 176.870 -0.176 0.000 1.078 353 L CA 1.203 55.853 54.840 -0.317 0.000 0.749 353 L CB -0.441 41.443 42.059 -0.291 0.000 0.901 353 L HN 0.243 nan 8.230 nan 0.000 0.433 354 A N -0.195 122.547 122.820 -0.130 0.000 1.930 354 A HA -0.188 4.127 4.320 -0.009 0.000 0.217 354 A C 2.137 179.652 177.584 -0.115 0.000 1.175 354 A CA 1.402 53.370 52.037 -0.116 0.000 0.627 354 A CB -0.353 18.588 19.000 -0.098 0.000 0.815 354 A HN 0.448 nan 8.150 nan 0.000 0.443 355 E N -1.182 118.960 120.200 -0.097 0.000 2.077 355 E HA -0.219 4.126 4.350 -0.009 0.000 0.193 355 E C 2.031 178.542 176.600 -0.147 0.000 0.989 355 E CA 1.113 57.457 56.400 -0.094 0.000 0.800 355 E CB -0.395 29.274 29.700 -0.051 0.000 0.746 355 E HN 0.822 nan 8.360 nan 0.000 0.452 356 H N 0.994 119.884 119.070 -0.300 0.000 2.357 356 H HA -0.111 4.440 4.556 -0.009 0.000 0.301 356 H C 2.293 177.414 175.328 -0.344 0.000 1.082 356 H CA 1.164 56.932 56.048 -0.467 0.000 1.342 356 H CB 0.056 29.271 29.762 -0.911 0.000 1.389 356 H HN 0.132 nan 8.280 nan 0.000 0.511 357 L N 1.584 122.644 121.223 -0.273 0.000 2.083 357 L HA -0.136 4.199 4.340 -0.009 0.000 0.209 357 L C 1.317 178.042 176.870 -0.243 0.000 1.083 357 L CA 1.829 56.520 54.840 -0.248 0.000 0.752 357 L CB -0.576 41.392 42.059 -0.151 0.000 0.899 357 L HN 0.151 nan 8.230 nan 0.000 0.433 358 D N -0.257 120.020 120.400 -0.205 0.000 2.363 358 D HA 0.135 4.770 4.640 -0.009 0.000 0.226 358 D C 1.708 177.903 176.300 -0.176 0.000 1.020 358 D CA 0.976 54.879 54.000 -0.162 0.000 0.892 358 D CB 0.047 40.774 40.800 -0.122 0.000 0.900 358 D HN 0.514 nan 8.370 nan 0.000 0.531 359 G N 0.844 109.494 108.800 -0.251 0.000 2.157 359 G HA2 -0.314 3.641 3.960 -0.009 0.000 0.248 359 G HA3 -0.314 3.641 3.960 -0.009 0.000 0.248 359 G C 0.311 175.106 174.900 -0.175 0.000 0.979 359 G CA -0.363 44.596 45.100 -0.234 0.000 0.650 359 G HN 0.178 nan 8.290 nan 0.000 0.529 360 R N 0.972 121.379 120.500 -0.155 0.000 2.491 360 R HA 0.491 4.826 4.340 -0.009 0.000 0.283 360 R C 0.487 176.734 176.300 -0.088 0.000 1.072 360 R CA -0.286 55.754 56.100 -0.099 0.000 1.048 360 R CB 0.524 30.779 30.300 -0.076 0.000 0.983 360 R HN 0.526 nan 8.270 nan 0.000 0.450 361 E N 1.693 121.863 120.200 -0.050 0.000 2.152 361 E HA 0.072 4.417 4.350 -0.009 0.000 0.285 361 E C -1.009 175.597 176.600 0.010 0.000 1.043 361 E CA -0.225 56.163 56.400 -0.020 0.000 0.839 361 E CB 0.639 30.331 29.700 -0.013 0.000 1.069 361 E HN 0.330 nan 8.360 nan 0.000 0.399 362 D N 5.205 125.632 120.400 0.044 0.000 2.736 362 D HA 0.224 4.859 4.640 -0.009 0.000 0.243 362 D C -2.057 174.315 176.300 0.120 0.000 1.304 362 D CA -2.121 51.924 54.000 0.075 0.000 0.934 362 D CB 2.007 42.857 40.800 0.084 0.000 1.382 362 D HN 0.227 nan 8.370 nan 0.000 0.571 363 P HA -0.064 nan 4.420 nan 0.000 0.218 363 P C 1.065 178.430 177.300 0.108 0.000 1.148 363 P CA 1.062 64.216 63.100 0.091 0.000 0.822 363 P CB 0.306 32.041 31.700 0.059 0.000 0.784 364 A N -1.730 121.162 122.820 0.121 0.000 2.070 364 A HA -0.233 4.081 4.320 -0.009 0.000 0.220 364 A C 2.146 179.849 177.584 0.198 0.000 1.159 364 A CA 1.206 53.321 52.037 0.130 0.000 0.656 364 A CB -1.622 17.462 19.000 0.140 0.000 0.800 364 A HN 0.170 nan 8.150 nan 0.000 0.453 365 Y N 1.010 121.387 120.300 0.129 0.000 2.089 365 Y HA -0.213 4.331 4.550 -0.009 0.000 0.282 365 Y C 1.900 177.903 175.900 0.171 0.000 1.139 365 Y CA 2.233 60.439 58.100 0.177 0.000 1.123 365 Y CB -0.184 38.318 38.460 0.072 0.000 0.980 365 Y HN 0.336 nan 8.280 nan 0.000 0.493 366 D N -0.174 120.308 120.400 0.136 0.000 2.219 366 D HA -0.135 4.500 4.640 -0.009 0.000 0.205 366 D C 2.117 178.386 176.300 -0.052 0.000 0.970 366 D CA 0.899 54.911 54.000 0.020 0.000 0.851 366 D CB -0.352 40.509 40.800 0.102 0.000 0.943 366 D HN 0.354 nan 8.370 nan 0.000 0.488 367 L N 0.691 121.879 121.223 -0.057 0.000 2.093 367 L HA -0.144 4.191 4.340 -0.009 0.000 0.208 367 L C 2.170 178.833 176.870 -0.345 0.000 1.085 367 L CA 1.642 56.360 54.840 -0.204 0.000 0.755 367 L CB -0.598 41.348 42.059 -0.188 0.000 0.904 367 L HN 0.135 nan 8.230 nan 0.000 0.435 368 H N -0.131 118.752 119.070 -0.311 0.000 2.321 368 H HA -0.147 4.404 4.556 -0.009 0.000 0.300 368 H C 2.231 177.361 175.328 -0.330 0.000 1.087 368 H CA 2.421 58.243 56.048 -0.377 0.000 1.319 368 H CB -0.006 29.432 29.762 -0.541 0.000 1.379 368 H HN 0.427 nan 8.280 nan 0.000 0.501 369 I N 0.804 121.313 120.570 -0.103 0.000 2.286 369 I HA -0.246 3.919 4.170 -0.009 0.000 0.248 369 I C 2.977 179.108 176.117 0.022 0.000 1.115 369 I CA 0.952 62.224 61.300 -0.045 0.000 1.392 369 I CB -0.411 37.531 38.000 -0.098 0.000 1.065 369 I HN 0.258 nan 8.210 nan 0.000 0.418 370 A N 0.224 123.017 122.820 -0.045 0.000 1.877 370 A HA -0.247 4.068 4.320 -0.009 0.000 0.216 370 A C 2.117 179.753 177.584 0.086 0.000 1.186 370 A CA 1.697 53.736 52.037 0.002 0.000 0.620 370 A CB -1.150 17.827 19.000 -0.038 0.000 0.822 370 A HN 0.484 nan 8.150 nan 0.000 0.443 371 H N -2.944 116.095 119.070 -0.053 0.000 2.389 371 H HA -0.101 4.449 4.556 -0.009 0.000 0.299 371 H C 1.956 177.245 175.328 -0.065 0.000 1.081 371 H CA 1.237 57.238 56.048 -0.079 0.000 1.345 371 H CB -0.146 29.535 29.762 -0.135 0.000 1.393 371 H HN 0.586 nan 8.280 nan 0.000 0.520 372 F N 2.143 122.035 119.950 -0.097 0.000 2.102 372 F HA -0.219 4.303 4.527 -0.009 0.000 0.298 372 F C 1.797 177.570 175.800 -0.046 0.000 1.105 372 F CA 1.485 59.424 58.000 -0.102 0.000 1.239 372 F CB -0.140 38.778 39.000 -0.137 0.000 0.991 372 F HN 0.029 nan 8.300 nan 0.000 0.474 373 D N 0.483 120.944 120.400 0.101 0.000 2.144 373 D HA -0.167 4.468 4.640 -0.009 0.000 0.199 373 D C 2.375 178.625 176.300 -0.084 0.000 0.984 373 D CA 1.435 55.439 54.000 0.006 0.000 0.834 373 D CB -0.714 40.124 40.800 0.063 0.000 0.955 373 D HN 0.396 nan 8.370 nan 0.000 0.465 374 A N 0.748 123.539 122.820 -0.049 0.000 1.902 374 A HA -0.148 4.167 4.320 -0.009 0.000 0.217 374 A C 2.138 179.641 177.584 -0.135 0.000 1.181 374 A CA 1.080 53.075 52.037 -0.071 0.000 0.623 374 A CB -0.695 18.289 19.000 -0.028 0.000 0.818 374 A HN 0.263 nan 8.150 nan 0.000 0.443 375 L N -0.422 120.713 121.223 -0.146 0.000 2.046 375 L HA -0.178 4.157 4.340 -0.009 0.000 0.208 375 L C 2.266 178.994 176.870 -0.237 0.000 1.077 375 L CA 2.266 57.024 54.840 -0.136 0.000 0.747 375 L CB -0.713 41.281 42.059 -0.109 0.000 0.896 375 L HN 0.368 nan 8.230 nan 0.000 0.432 376 Q N 0.043 119.648 119.800 -0.326 0.000 2.167 376 Q HA -0.001 4.334 4.340 -0.009 0.000 0.202 376 Q C 2.117 177.982 176.000 -0.225 0.000 0.970 376 Q CA 1.502 57.126 55.803 -0.298 0.000 0.855 376 Q CB -0.743 27.808 28.738 -0.312 0.000 0.911 376 Q HN 0.667 nan 8.270 nan 0.000 0.438 377 A N 0.469 123.164 122.820 -0.207 0.000 2.251 377 A HA 0.409 4.724 4.320 -0.009 0.000 0.209 377 A C 0.968 178.400 177.584 -0.255 0.000 1.187 377 A CA 0.377 52.305 52.037 -0.182 0.000 0.823 377 A CB -0.230 18.694 19.000 -0.127 0.000 0.846 377 A HN 0.230 nan 8.150 nan 0.000 0.486 378 A N 1.114 123.695 122.820 -0.399 0.000 2.520 378 A HA 0.283 4.598 4.320 -0.009 0.000 0.235 378 A C 1.323 178.545 177.584 -0.604 0.000 1.065 378 A CA 0.337 51.961 52.037 -0.687 0.000 0.764 378 A CB 0.240 18.357 19.000 -1.472 0.000 1.002 378 A HN 0.565 nan 8.150 nan 0.000 0.502 379 D N 1.880 121.996 120.400 -0.472 0.000 2.178 379 D HA -0.244 4.391 4.640 -0.009 0.000 0.201 379 D C 1.095 177.307 176.300 -0.146 0.000 0.980 379 D CA 1.861 55.725 54.000 -0.228 0.000 0.842 379 D CB -0.552 40.188 40.800 -0.100 0.000 0.948 379 D HN 0.647 nan 8.370 nan 0.000 0.472 380 F N 0.124 120.087 119.950 0.021 0.000 2.771 380 F HA 0.300 4.822 4.527 -0.009 0.000 0.299 380 F C 1.783 177.549 175.800 -0.056 0.000 1.177 380 F CA -0.269 57.735 58.000 0.006 0.000 1.450 380 F CB -0.509 38.549 39.000 0.097 0.000 1.114 380 F HN -0.199 nan 8.300 nan 0.000 0.587 381 R N 0.304 120.806 120.500 0.004 0.000 2.543 381 R HA 0.230 4.565 4.340 -0.009 0.000 0.323 381 R C -0.044 176.221 176.300 -0.058 0.000 1.002 381 R CA -0.045 56.053 56.100 -0.003 0.000 1.106 381 R CB -0.068 30.200 30.300 -0.054 0.000 1.280 381 R HN 0.234 nan 8.270 nan 0.000 0.549 382 N N 0.650 119.315 118.700 -0.058 0.000 2.588 382 N HA 0.102 4.837 4.740 -0.009 0.000 0.298 382 N C -0.831 174.665 175.510 -0.025 0.000 1.718 382 N CA 0.036 53.055 53.050 -0.052 0.000 0.888 382 N CB 1.977 40.418 38.487 -0.078 0.000 1.389 382 N HN -0.139 nan 8.380 nan 0.000 0.491 383 V N 1.458 121.369 119.914 -0.004 0.000 2.583 383 V HA 0.107 4.222 4.120 -0.009 0.000 0.287 383 V C 0.686 176.784 176.094 0.006 0.000 1.051 383 V CA -0.446 61.859 62.300 0.010 0.000 1.010 383 V CB 1.411 33.250 31.823 0.026 0.000 0.988 383 V HN 0.142 nan 8.190 nan 0.000 0.478 384 K N 5.889 126.293 120.400 0.007 0.000 2.292 384 K HA 0.384 4.699 4.320 -0.009 0.000 0.290 384 K C -0.674 175.933 176.600 0.012 0.000 1.083 384 K CA 0.257 56.547 56.287 0.006 0.000 0.918 384 K CB -0.256 32.246 32.500 0.004 0.000 1.089 384 K HN 0.587 nan 8.250 nan 0.000 0.473 385 L N 1.799 123.030 121.223 0.012 0.000 2.569 385 L HA 0.389 4.724 4.340 -0.009 0.000 0.247 385 L C 0.641 177.518 176.870 0.013 0.000 1.135 385 L CA -1.078 53.772 54.840 0.016 0.000 0.812 385 L CB 0.542 42.613 42.059 0.019 0.000 1.431 385 L HN 0.664 nan 8.230 nan 0.000 0.499 386 E N 0.729 120.936 120.200 0.012 0.000 2.384 386 E HA -0.078 4.267 4.350 -0.009 0.000 0.266 386 E C -0.745 175.860 176.600 0.008 0.000 1.012 386 E CA -0.554 55.850 56.400 0.006 0.000 0.901 386 E CB 0.726 30.425 29.700 -0.000 0.000 0.967 386 E HN 0.352 nan 8.360 nan 0.000 0.435 387 D N 4.592 124.996 120.400 0.006 0.000 2.363 387 D HA -0.039 4.596 4.640 -0.009 0.000 0.263 387 D C 0.953 177.259 176.300 0.011 0.000 1.258 387 D CA 0.263 54.268 54.000 0.009 0.000 0.907 387 D CB 0.574 41.377 40.800 0.005 0.000 1.107 387 D HN 0.559 nan 8.370 nan 0.000 0.495 388 L N 3.006 124.241 121.223 0.021 0.000 2.265 388 L HA -0.200 4.135 4.340 -0.009 0.000 0.215 388 L C 2.354 179.242 176.870 0.030 0.000 1.117 388 L CA 1.170 56.029 54.840 0.031 0.000 0.782 388 L CB -0.368 41.726 42.059 0.057 0.000 0.914 388 L HN 0.438 nan 8.230 nan 0.000 0.441 389 S N -0.618 115.096 115.700 0.023 0.000 2.507 389 S HA -0.103 4.362 4.470 -0.009 0.000 0.235 389 S C 1.698 176.304 174.600 0.010 0.000 0.988 389 S CA 0.439 58.650 58.200 0.019 0.000 0.944 389 S CB -0.212 62.996 63.200 0.014 0.000 0.762 389 S HN 0.458 nan 8.310 nan 0.000 0.526 390 R N 0.409 120.912 120.500 0.005 0.000 2.468 390 R HA 0.368 4.703 4.340 -0.009 0.000 0.280 390 R C -0.928 175.366 176.300 -0.009 0.000 0.963 390 R CA -0.070 56.029 56.100 -0.003 0.000 1.083 390 R CB 0.859 31.157 30.300 -0.004 0.000 1.200 390 R HN 0.261 nan 8.270 nan 0.000 0.541 391 V N 1.364 121.273 119.914 -0.008 0.000 2.448 391 V HA 0.430 4.545 4.120 -0.009 0.000 0.295 391 V C 0.288 176.366 176.094 -0.026 0.000 1.025 391 V CA -1.185 61.102 62.300 -0.021 0.000 0.859 391 V CB 1.542 33.350 31.823 -0.023 0.000 0.988 391 V HN 0.223 nan 8.190 nan 0.000 0.431 392 A N 3.345 126.142 122.820 -0.039 0.000 2.498 392 A HA 0.459 4.774 4.320 -0.009 0.000 0.239 392 A C 1.074 178.619 177.584 -0.065 0.000 1.068 392 A CA 0.631 52.639 52.037 -0.047 0.000 0.766 392 A CB 0.182 19.151 19.000 -0.052 0.000 1.003 392 A HN 1.149 nan 8.150 nan 0.000 0.497 393 T N -1.434 113.077 114.554 -0.072 0.000 3.091 393 T HA 0.381 4.726 4.350 -0.009 0.000 0.277 393 T C 0.072 174.653 174.700 -0.199 0.000 0.996 393 T CA -0.028 62.009 62.100 -0.106 0.000 0.897 393 T CB -0.218 68.611 68.868 -0.065 0.000 1.109 393 T HN 0.664 nan 8.240 nan 0.000 0.534 394 K N 1.080 121.383 120.400 -0.161 0.000 2.535 394 K HA 0.466 4.781 4.320 -0.009 0.000 0.251 394 K C -0.976 175.560 176.600 -0.107 0.000 0.942 394 K CA -0.712 55.460 56.287 -0.192 0.000 0.798 394 K CB 2.096 34.501 32.500 -0.157 0.000 1.267 394 K HN 0.067 nan 8.250 nan 0.000 0.434 395 R N 3.350 123.799 120.500 -0.085 0.000 2.594 395 R HA 0.100 4.435 4.340 -0.009 0.000 0.272 395 R C -1.393 174.886 176.300 -0.035 0.000 1.074 395 R CA -1.366 54.707 56.100 -0.046 0.000 1.105 395 R CB 0.353 30.642 30.300 -0.018 0.000 1.008 395 R HN 0.476 nan 8.270 nan 0.000 0.472 396 P HA -0.097 nan 4.420 nan 0.000 0.218 396 P C -0.333 176.958 177.300 -0.015 0.000 1.148 396 P CA 1.188 64.275 63.100 -0.022 0.000 0.822 396 P CB 0.428 32.116 31.700 -0.021 0.000 0.784 397 S N 0.773 116.467 115.700 -0.009 0.000 2.513 397 S HA 0.259 4.724 4.470 -0.009 0.000 0.299 397 S C -0.197 174.410 174.600 0.013 0.000 1.087 397 S CA -0.799 57.399 58.200 -0.004 0.000 1.012 397 S CB 1.686 64.879 63.200 -0.012 0.000 1.044 397 S HN 0.183 nan 8.310 nan 0.000 0.485 398 D N 1.179 121.592 120.400 0.021 0.000 2.384 398 D HA 0.023 4.658 4.640 -0.009 0.000 0.244 398 D C 1.147 177.501 176.300 0.090 0.000 1.251 398 D CA -0.563 53.474 54.000 0.060 0.000 0.961 398 D CB 0.347 41.182 40.800 0.058 0.000 1.116 398 D HN 0.347 nan 8.370 nan 0.000 0.484 399 F N 1.213 121.162 119.950 -0.003 0.000 2.063 399 F HA -0.214 4.308 4.527 -0.007 0.000 0.298 399 F C 2.438 178.240 175.800 0.004 0.000 1.109 399 F CA 2.412 60.411 58.000 0.000 0.000 1.212 399 F CB -0.875 38.122 39.000 -0.006 0.000 0.973 399 F HN 0.497 nan 8.300 nan 0.000 0.480 400 A N 0.196 122.925 122.820 -0.152 0.000 1.869 400 A HA -0.367 3.948 4.320 -0.009 0.000 0.218 400 A C 2.336 179.777 177.584 -0.238 0.000 1.203 400 A CA 2.557 54.446 52.037 -0.246 0.000 0.638 400 A CB -1.189 17.782 19.000 -0.049 0.000 0.831 400 A HN 0.542 nan 8.150 nan 0.000 0.450 401 K N -0.587 119.737 120.400 -0.127 0.000 2.097 401 K HA -0.141 4.174 4.320 -0.009 0.000 0.206 401 K C 2.229 178.759 176.600 -0.116 0.000 1.049 401 K CA 1.469 57.698 56.287 -0.096 0.000 0.933 401 K CB -0.147 32.324 32.500 -0.049 0.000 0.717 401 K HN 0.504 nan 8.250 nan 0.000 0.442 402 R N 0.001 120.421 120.500 -0.132 0.000 2.115 402 R HA -0.046 4.289 4.340 -0.009 0.000 0.226 402 R C 2.496 178.696 176.300 -0.166 0.000 1.100 402 R CA 0.918 56.955 56.100 -0.105 0.000 0.980 402 R CB -0.318 29.960 30.300 -0.036 0.000 0.875 402 R HN 0.217 nan 8.270 nan 0.000 0.445 403 R N 1.408 121.695 120.500 -0.356 0.000 2.094 403 R HA -0.186 4.149 4.340 -0.009 0.000 0.239 403 R C 1.176 177.366 176.300 -0.183 0.000 1.137 403 R CA 2.165 58.036 56.100 -0.381 0.000 0.943 403 R CB -0.202 29.678 30.300 -0.700 0.000 0.850 403 R HN 0.186 nan 8.270 nan 0.000 0.433 404 D N 0.500 120.803 120.400 -0.162 0.000 2.097 404 D HA -0.145 4.490 4.640 -0.009 0.000 0.197 404 D C 2.089 178.341 176.300 -0.080 0.000 0.984 404 D CA 1.419 55.360 54.000 -0.098 0.000 0.826 404 D CB -0.303 40.449 40.800 -0.081 0.000 0.973 404 D HN 0.341 nan 8.370 nan 0.000 0.460 405 I N 0.990 121.514 120.570 -0.077 0.000 2.194 405 I HA -0.318 3.847 4.170 -0.009 0.000 0.246 405 I C 2.471 178.548 176.117 -0.067 0.000 1.093 405 I CA 1.306 62.569 61.300 -0.063 0.000 1.355 405 I CB -0.306 37.665 38.000 -0.050 0.000 1.046 405 I HN 0.002 nan 8.210 nan 0.000 0.413 406 Q N -0.086 119.682 119.800 -0.054 0.000 2.119 406 Q HA -0.267 4.068 4.340 -0.009 0.000 0.201 406 Q C 2.191 178.156 176.000 -0.058 0.000 0.972 406 Q CA 1.317 57.102 55.803 -0.030 0.000 0.847 406 Q CB -0.116 28.636 28.738 0.024 0.000 0.903 406 Q HN 0.377 nan 8.270 nan 0.000 0.433 407 Q N 1.286 121.046 119.800 -0.067 0.000 2.084 407 Q HA -0.185 4.149 4.340 -0.009 0.000 0.202 407 Q C 1.398 177.267 176.000 -0.219 0.000 0.978 407 Q CA 1.645 57.398 55.803 -0.083 0.000 0.844 407 Q CB 0.099 28.810 28.738 -0.045 0.000 0.898 407 Q HN 0.374 nan 8.270 nan 0.000 0.426 408 E N -0.207 119.861 120.200 -0.219 0.000 2.153 408 E HA -0.188 4.157 4.350 -0.009 0.000 0.194 408 E C 1.736 177.964 176.600 -0.621 0.000 0.988 408 E CA 1.110 57.307 56.400 -0.339 0.000 0.811 408 E CB -0.056 29.569 29.700 -0.126 0.000 0.746 408 E HN 0.316 nan 8.360 nan 0.000 0.466 409 K N 0.822 121.006 120.400 -0.359 0.000 2.128 409 K HA -0.009 4.306 4.320 -0.009 0.000 0.202 409 K C 1.969 178.429 176.600 -0.233 0.000 1.050 409 K CA 0.418 56.556 56.287 -0.248 0.000 0.966 409 K CB 0.233 32.671 32.500 -0.102 0.000 0.759 409 K HN 0.063 nan 8.250 nan 0.000 0.454 410 L N -0.115 120.994 121.223 -0.191 0.000 2.307 410 L HA 0.023 4.358 4.340 -0.009 0.000 0.211 410 L C 0.124 176.992 176.870 -0.004 0.000 1.099 410 L CA 0.152 54.957 54.840 -0.058 0.000 0.816 410 L CB -0.361 41.708 42.059 0.016 0.000 0.952 410 L HN 0.349 nan 8.230 nan 0.000 0.455 411 H N 0.493 119.566 119.070 0.004 0.000 2.655 411 H HA -0.133 4.418 4.556 -0.008 0.000 0.313 411 H C 0.122 175.432 175.328 -0.029 0.000 1.141 411 H CA 0.436 56.477 56.048 -0.011 0.000 1.138 411 H CB -1.973 27.783 29.762 -0.010 0.000 1.446 411 H HN 0.260 nan 8.280 nan 0.000 0.415 412 L N 1.521 122.763 121.223 0.031 0.000 2.417 412 L HA 0.247 4.582 4.340 -0.009 0.000 0.268 412 L C -0.824 176.006 176.870 -0.067 0.000 1.158 412 L CA -1.534 53.275 54.840 -0.053 0.000 0.819 412 L CB 0.419 42.383 42.059 -0.158 0.000 1.112 412 L HN 0.073 nan 8.230 nan 0.000 0.458 413 P HA 0.119 nan 4.420 nan 0.000 0.289 413 P C -0.881 176.355 177.300 -0.107 0.000 1.299 413 P CA -0.645 62.410 63.100 -0.076 0.000 0.766 413 P CB 0.723 32.383 31.700 -0.067 0.000 1.226 414 L N 0.648 121.830 121.223 -0.069 0.000 2.410 414 L HA 0.128 4.462 4.340 -0.009 0.000 0.273 414 L C 1.092 177.916 176.870 -0.076 0.000 1.152 414 L CA 0.077 54.883 54.840 -0.056 0.000 0.855 414 L CB -0.875 41.168 42.059 -0.025 0.000 1.129 414 L HN 0.469 nan 8.230 nan 0.000 0.463 415 L N 2.709 123.886 121.223 -0.076 0.000 3.664 415 L HA -0.183 4.152 4.340 -0.009 0.000 0.560 415 L C -2.151 174.633 176.870 -0.142 0.000 1.285 415 L CA -0.579 54.228 54.840 -0.054 0.000 0.864 415 L CB -1.311 40.751 42.059 0.005 0.000 1.512 415 L HN 0.506 nan 8.230 nan 0.000 0.853 416 P HA 0.108 nan 4.420 nan 0.000 0.267 416 P C 0.186 177.392 177.300 -0.156 0.000 1.200 416 P CA 0.219 63.051 63.100 -0.446 0.000 0.772 416 P CB 0.708 31.738 31.700 -1.118 0.000 0.855 417 T N -0.759 113.779 114.554 -0.026 0.000 2.859 417 T HA 0.726 5.071 4.350 -0.009 0.000 0.281 417 T C -0.302 174.516 174.700 0.196 0.000 1.005 417 T CA -0.493 61.677 62.100 0.117 0.000 1.025 417 T CB 1.353 70.274 68.868 0.087 0.000 0.977 417 T HN 0.416 nan 8.240 nan 0.000 0.458 418 T N 0.626 115.338 114.554 0.264 0.000 2.693 418 T HA 0.708 5.052 4.350 -0.009 0.000 0.304 418 T C -0.969 173.846 174.700 0.191 0.000 1.471 418 T CA -0.175 62.080 62.100 0.258 0.000 0.993 418 T CB 1.334 70.429 68.868 0.378 0.000 1.554 418 T HN 1.212 nan 8.240 nan 0.000 0.496 419 T N -0.221 114.405 114.554 0.119 0.000 2.910 419 T HA 0.588 4.933 4.350 -0.009 0.000 0.287 419 T C 1.065 175.700 174.700 -0.109 0.000 1.050 419 T CA -0.894 61.226 62.100 0.032 0.000 1.011 419 T CB 0.858 69.755 68.868 0.048 0.000 1.195 419 T HN 0.366 nan 8.240 nan 0.000 0.540 420 I N 0.302 120.743 120.570 -0.215 0.000 2.761 420 I HA 0.241 4.406 4.170 -0.009 0.000 0.261 420 I C 1.983 177.903 176.117 -0.329 0.000 1.198 420 I CA 1.496 62.597 61.300 -0.332 0.000 1.482 420 I CB -1.339 36.392 38.000 -0.449 0.000 1.100 420 I HN 1.106 nan 8.210 nan 0.000 0.445 421 G N 0.294 108.836 108.800 -0.430 0.000 4.077 421 G HA2 -0.156 3.799 3.960 -0.009 0.000 0.199 421 G HA3 -0.156 3.799 3.960 -0.009 0.000 0.199 421 G C 0.333 174.741 174.900 -0.820 0.000 1.302 421 G CA 0.151 44.939 45.100 -0.519 0.000 0.918 421 G HN 0.418 nan 8.290 nan 0.000 0.369 422 S N 0.669 115.940 115.700 -0.715 0.000 2.616 422 S HA 0.851 5.316 4.470 -0.009 0.000 0.277 422 S C -0.652 173.431 174.600 -0.861 0.000 1.234 422 S CA -0.450 57.284 58.200 -0.777 0.000 1.028 422 S CB 1.830 64.766 63.200 -0.441 0.000 0.988 422 S HN 0.365 nan 8.310 nan 0.000 0.522 423 F N 0.176 119.746 119.950 -0.633 0.000 2.654 423 F HA 0.659 5.181 4.527 -0.008 0.000 0.334 423 F C -2.536 173.045 175.800 -0.365 0.000 1.078 423 F CA -2.456 55.173 58.000 -0.619 0.000 0.986 423 F CB 0.740 38.999 39.000 -1.236 0.000 1.362 423 F HN 0.346 nan 8.300 nan 0.000 0.498 424 P HA 0.154 nan 4.420 nan 0.000 0.269 424 P C -1.030 176.340 177.300 0.117 0.000 1.209 424 P CA 0.031 63.171 63.100 0.067 0.000 0.776 424 P CB 0.602 32.403 31.700 0.168 0.000 0.876 444 A N 1.586 124.453 122.820 0.079 0.000 1.933 444 A HA -0.162 4.153 4.320 -0.009 0.000 0.218 444 A C 1.944 179.571 177.584 0.073 0.000 1.175 444 A CA 1.871 53.943 52.037 0.058 0.000 0.628 444 A CB -0.527 18.496 19.000 0.039 0.000 0.814 444 A HN 0.269 nan 8.150 nan 0.000 0.444 445 E N -1.567 118.687 120.200 0.089 0.000 2.058 445 E HA -0.236 4.109 4.350 -0.009 0.000 0.194 445 E C 1.923 178.624 176.600 0.168 0.000 0.997 445 E CA 1.609 58.068 56.400 0.099 0.000 0.801 445 E CB -0.349 29.394 29.700 0.071 0.000 0.746 445 E HN 0.771 nan 8.360 nan 0.000 0.450 446 Y N 1.945 122.281 120.300 0.059 0.000 2.145 446 Y HA -0.234 4.311 4.550 -0.009 0.000 0.286 446 Y C 2.269 178.262 175.900 0.156 0.000 1.145 446 Y CA 1.747 59.915 58.100 0.114 0.000 1.148 446 Y CB -0.117 38.389 38.460 0.077 0.000 0.981 446 Y HN -0.183 nan 8.280 nan 0.000 0.507 447 K N 0.524 120.904 120.400 -0.034 0.000 2.032 447 K HA -0.202 4.113 4.320 -0.009 0.000 0.209 447 K C 2.139 178.641 176.600 -0.163 0.000 1.048 447 K CA 2.110 58.295 56.287 -0.170 0.000 0.927 447 K CB -0.415 32.039 32.500 -0.077 0.000 0.712 447 K HN 0.501 nan 8.250 nan 0.000 0.441 448 Q N -1.232 118.533 119.800 -0.059 0.000 2.291 448 Q HA -0.119 4.215 4.340 -0.009 0.000 0.205 448 Q C 1.778 177.779 176.000 0.002 0.000 0.970 448 Q CA 1.145 56.920 55.803 -0.048 0.000 0.876 448 Q CB -0.157 28.587 28.738 0.011 0.000 0.935 448 Q HN 0.333 nan 8.270 nan 0.000 0.455 449 F N 0.874 120.760 119.950 -0.108 0.000 2.163 449 F HA -0.183 4.339 4.527 -0.009 0.000 0.297 449 F C 1.735 177.459 175.800 -0.127 0.000 1.094 449 F CA 0.921 58.872 58.000 -0.082 0.000 1.290 449 F CB -0.012 38.971 39.000 -0.029 0.000 1.017 449 F HN -0.030 nan 8.300 nan 0.000 0.483 450 I N 0.571 120.964 120.570 -0.295 0.000 2.252 450 I HA -0.252 3.912 4.170 -0.009 0.000 0.245 450 I C 2.262 178.254 176.117 -0.208 0.000 1.102 450 I CA 1.305 62.403 61.300 -0.338 0.000 1.385 450 I CB -1.513 36.296 38.000 -0.319 0.000 1.064 450 I HN 0.324 nan 8.210 nan 0.000 0.414 451 Q N 0.610 120.272 119.800 -0.229 0.000 2.124 451 Q HA -0.136 4.199 4.340 -0.009 0.000 0.202 451 Q C 2.421 178.435 176.000 0.023 0.000 0.977 451 Q CA 1.723 57.395 55.803 -0.219 0.000 0.850 451 Q CB -0.235 28.103 28.738 -0.667 0.000 0.901 451 Q HN 0.520 nan 8.270 nan 0.000 0.429 452 A N 1.358 124.140 122.820 -0.064 0.000 1.908 452 A HA -0.262 4.052 4.320 -0.009 0.000 0.218 452 A C 1.981 179.521 177.584 -0.074 0.000 1.181 452 A CA 1.828 53.845 52.037 -0.034 0.000 0.627 452 A CB -0.459 18.501 19.000 -0.067 0.000 0.818 452 A HN 0.313 nan 8.150 nan 0.000 0.445 453 E N 0.092 120.153 120.200 -0.232 0.000 2.106 453 E HA -0.089 4.256 4.350 -0.009 0.000 0.192 453 E C 1.710 178.318 176.600 0.015 0.000 0.984 453 E CA 1.102 57.326 56.400 -0.293 0.000 0.806 453 E CB -0.351 28.916 29.700 -0.722 0.000 0.750 453 E HN 0.643 nan 8.360 nan 0.000 0.458 454 I N 0.579 121.272 120.570 0.205 0.000 2.179 454 I HA -0.259 3.906 4.170 -0.009 0.000 0.242 454 I C 2.555 178.901 176.117 0.380 0.000 1.088 454 I CA 1.719 63.304 61.300 0.476 0.000 1.357 454 I CB -0.344 37.939 38.000 0.472 0.000 1.051 454 I HN 0.287 nan 8.210 nan 0.000 0.409 455 E N 1.312 121.679 120.200 0.279 0.000 2.051 455 E HA -0.293 4.052 4.350 -0.009 0.000 0.192 455 E C 2.379 179.049 176.600 0.117 0.000 0.991 455 E CA 1.237 57.742 56.400 0.174 0.000 0.799 455 E CB -0.087 29.693 29.700 0.134 0.000 0.748 455 E HN 0.242 nan 8.360 nan 0.000 0.449 456 R N -0.329 120.216 120.500 0.076 0.000 2.103 456 R HA -0.177 4.158 4.340 -0.009 0.000 0.242 456 R C 2.042 178.311 176.300 -0.052 0.000 1.142 456 R CA 1.815 57.898 56.100 -0.028 0.000 0.960 456 R CB -0.338 29.907 30.300 -0.092 0.000 0.858 456 R HN 0.445 nan 8.270 nan 0.000 0.439 457 W N 0.395 121.704 121.300 0.015 0.000 2.770 457 W HA 0.038 4.693 4.660 -0.008 0.000 0.256 457 W C 1.544 178.074 176.519 0.019 0.000 1.291 457 W CA 0.454 57.791 57.345 -0.014 0.000 1.396 457 W CB 0.076 29.605 29.460 0.115 0.000 1.114 457 W HN 0.165 nan 8.180 nan 0.000 0.637 458 I N 0.244 120.965 120.570 0.253 0.000 2.286 458 I HA -0.281 3.884 4.170 -0.009 0.000 0.245 458 I C 2.433 178.594 176.117 0.074 0.000 1.104 458 I CA 0.863 62.272 61.300 0.181 0.000 1.397 458 I CB -0.292 37.792 38.000 0.140 0.000 1.072 458 I HN -0.271 nan 8.210 nan 0.000 0.417 459 R N 0.863 121.371 120.500 0.014 0.000 2.075 459 R HA -0.053 4.281 4.340 -0.009 0.000 0.232 459 R C 2.150 178.401 176.300 -0.082 0.000 1.126 459 R CA 1.334 57.412 56.100 -0.037 0.000 0.963 459 R CB -0.989 29.275 30.300 -0.060 0.000 0.858 459 R HN 0.379 nan 8.270 nan 0.000 0.435 460 I N 1.378 121.847 120.570 -0.168 0.000 2.208 460 I HA -0.322 3.843 4.170 -0.009 0.000 0.245 460 I C 2.418 178.462 176.117 -0.121 0.000 1.097 460 I CA 1.490 62.634 61.300 -0.260 0.000 1.363 460 I CB -0.294 37.325 38.000 -0.634 0.000 1.051 460 I HN 0.225 nan 8.210 nan 0.000 0.413 461 Q N 0.318 120.107 119.800 -0.018 0.000 2.079 461 Q HA -0.210 4.125 4.340 -0.009 0.000 0.200 461 Q C 2.106 178.137 176.000 0.051 0.000 0.974 461 Q CA 1.352 57.201 55.803 0.076 0.000 0.840 461 Q CB -0.124 28.729 28.738 0.192 0.000 0.898 461 Q HN 0.552 nan 8.270 nan 0.000 0.430 462 E N 0.847 121.067 120.200 0.032 0.000 2.077 462 E HA -0.173 4.172 4.350 -0.009 0.000 0.193 462 E C 1.526 178.125 176.600 -0.001 0.000 0.989 462 E CA 0.992 57.404 56.400 0.020 0.000 0.800 462 E CB 0.028 29.735 29.700 0.011 0.000 0.746 462 E HN 0.330 nan 8.360 nan 0.000 0.452 463 D N 0.511 120.896 120.400 -0.024 0.000 2.264 463 D HA -0.097 4.538 4.640 -0.009 0.000 0.208 463 D C 1.819 178.102 176.300 -0.028 0.000 0.966 463 D CA 0.781 54.759 54.000 -0.036 0.000 0.864 463 D CB 0.129 40.891 40.800 -0.064 0.000 0.933 463 D HN 0.208 nan 8.370 nan 0.000 0.499 464 L N -0.138 121.075 121.223 -0.017 0.000 2.509 464 L HA 0.008 4.343 4.340 -0.009 0.000 0.222 464 L C 0.257 177.135 176.870 0.012 0.000 1.123 464 L CA 0.027 54.864 54.840 -0.004 0.000 0.856 464 L CB 0.001 42.066 42.059 0.011 0.000 0.985 464 L HN -0.091 nan 8.230 nan 0.000 0.456 465 D N 0.536 120.946 120.400 0.017 0.000 2.767 465 D HA -0.174 4.461 4.640 -0.009 0.000 0.239 465 D C -0.290 176.033 176.300 0.038 0.000 1.103 465 D CA 0.296 54.308 54.000 0.021 0.000 0.710 465 D CB -1.116 39.689 40.800 0.008 0.000 1.084 465 D HN 0.102 nan 8.370 nan 0.000 0.435 466 L N 0.527 121.788 121.223 0.063 0.000 2.397 466 L HA 0.247 4.582 4.340 -0.009 0.000 0.271 466 L C 1.708 178.622 176.870 0.073 0.000 1.148 466 L CA -0.589 54.303 54.840 0.088 0.000 0.825 466 L CB 0.647 42.789 42.059 0.138 0.000 1.117 466 L HN 0.077 nan 8.230 nan 0.000 0.456 467 D N 1.472 121.907 120.400 0.059 0.000 2.123 467 D HA -0.024 4.611 4.640 -0.009 0.000 0.200 467 D C 0.265 176.607 176.300 0.069 0.000 0.976 467 D CA 1.324 55.342 54.000 0.031 0.000 0.831 467 D CB 0.383 41.158 40.800 -0.042 0.000 0.974 467 D HN 0.170 nan 8.370 nan 0.000 0.469 468 V N 2.168 122.160 119.914 0.129 0.000 2.409 468 V HA 0.233 4.348 4.120 -0.009 0.000 0.291 468 V C -0.131 176.059 176.094 0.160 0.000 1.020 468 V CA -0.731 61.671 62.300 0.170 0.000 0.848 468 V CB 1.886 33.898 31.823 0.315 0.000 0.990 468 V HN -0.100 nan 8.190 nan 0.000 0.430 469 L N 5.274 126.577 121.223 0.133 0.000 2.400 469 L HA 0.810 5.145 4.340 -0.009 0.000 0.264 469 L C 0.058 176.994 176.870 0.111 0.000 1.061 469 L CA -0.240 54.690 54.840 0.150 0.000 0.799 469 L CB 1.851 44.005 42.059 0.159 0.000 1.240 469 L HN 0.626 nan 8.230 nan 0.000 0.461 470 V N -2.547 117.440 119.914 0.121 0.000 3.078 470 V HA 0.427 4.542 4.120 -0.009 0.000 0.311 470 V C 0.605 176.750 176.094 0.086 0.000 1.138 470 V CA -0.563 61.749 62.300 0.020 0.000 1.007 470 V CB 1.672 33.363 31.823 -0.220 0.000 1.045 470 V HN 0.892 nan 8.190 nan 0.000 0.432 471 H N 0.564 119.603 119.070 -0.052 0.000 2.548 471 H HA 0.282 4.833 4.556 -0.009 0.000 0.268 471 H C 1.271 176.508 175.328 -0.152 0.000 0.975 471 H CA 1.285 57.341 56.048 0.014 0.000 1.195 471 H CB 0.557 30.337 29.762 0.030 0.000 1.397 471 H HN 1.727 nan 8.280 nan 0.000 0.572 472 G N 0.983 109.213 108.800 -0.950 0.000 2.259 472 G HA2 -0.295 3.660 3.960 -0.009 0.000 0.217 472 G HA3 -0.295 3.660 3.960 -0.009 0.000 0.217 472 G C 0.271 174.186 174.900 -1.641 0.000 1.001 472 G CA 0.020 44.197 45.100 -1.539 0.000 0.627 472 G HN 0.416 nan 8.290 nan 0.000 0.501 473 E N -1.091 118.225 120.200 -1.474 0.000 2.586 473 E HA -0.259 4.086 4.350 -0.009 0.000 0.259 473 E C 0.959 177.210 176.600 -0.580 0.000 1.107 473 E CA 0.650 56.516 56.400 -0.890 0.000 0.754 473 E CB -1.483 27.796 29.700 -0.702 0.000 1.335 473 E HN 0.585 nan 8.360 nan 0.000 0.411 474 F N 0.875 120.673 119.950 -0.252 0.000 2.293 474 F HA -0.132 4.390 4.527 -0.008 0.000 0.300 474 F C 2.599 178.343 175.800 -0.093 0.000 1.086 474 F CA 1.497 59.407 58.000 -0.150 0.000 1.375 474 F CB -0.125 38.805 39.000 -0.117 0.000 1.045 474 F HN 0.169 nan 8.300 nan 0.000 0.516 475 E N 1.383 121.596 120.200 0.021 0.000 2.489 475 E HA -0.039 4.305 4.350 -0.009 0.000 0.193 475 E C -0.035 176.475 176.600 -0.150 0.000 1.057 475 E CA 0.180 56.596 56.400 0.027 0.000 0.866 475 E CB -0.278 29.441 29.700 0.032 0.000 0.916 475 E HN 0.324 nan 8.360 nan 0.000 0.500 476 R N 0.300 120.604 120.500 -0.326 0.000 2.445 476 R HA 0.410 4.745 4.340 -0.009 0.000 0.308 476 R C 0.293 176.519 176.300 -0.123 0.000 0.961 476 R CA -0.312 55.533 56.100 -0.426 0.000 0.862 476 R CB 2.360 32.228 30.300 -0.721 0.000 1.144 476 R HN -0.039 nan 8.270 nan 0.000 0.447 477 V N 0.964 120.877 119.914 -0.000 0.000 3.621 477 V HA 0.121 4.236 4.120 -0.009 0.000 0.263 477 V C -0.432 175.726 176.094 0.107 0.000 1.272 477 V CA 0.943 63.282 62.300 0.067 0.000 1.080 477 V CB 0.329 32.214 31.823 0.104 0.000 0.816 477 V HN 0.746 nan 8.190 nan 0.000 0.451 478 D N 0.156 120.634 120.400 0.130 0.000 2.891 478 D HA 0.173 4.808 4.640 -0.009 0.000 0.224 478 D C 0.912 177.352 176.300 0.233 0.000 1.321 478 D CA -0.340 53.803 54.000 0.239 0.000 0.929 478 D CB 1.795 42.754 40.800 0.266 0.000 1.551 478 D HN 0.267 nan 8.370 nan 0.000 0.574 479 M N 1.783 121.518 119.600 0.226 0.000 2.706 479 M HA -0.011 4.464 4.480 -0.009 0.000 0.251 479 M C -0.186 176.260 176.300 0.244 0.000 1.070 479 M CA 1.238 56.634 55.300 0.160 0.000 1.073 479 M CB 0.100 32.699 32.600 -0.001 0.000 1.449 479 M HN 0.112 nan 8.290 nan 0.000 0.531 480 V N 0.099 120.165 119.914 0.254 0.000 2.996 480 V HA -0.026 4.089 4.120 -0.009 0.000 0.235 480 V C 2.151 178.415 176.094 0.284 0.000 1.205 480 V CA 1.232 63.692 62.300 0.266 0.000 1.225 480 V CB 0.181 32.156 31.823 0.253 0.000 0.995 480 V HN 0.452 nan 8.190 nan 0.000 0.484 481 E N 0.579 120.940 120.200 0.270 0.000 2.160 481 E HA -0.279 4.066 4.350 -0.009 0.000 0.195 481 E C 1.896 178.567 176.600 0.118 0.000 0.991 481 E CA 1.785 58.294 56.400 0.182 0.000 0.810 481 E CB -0.292 29.508 29.700 0.166 0.000 0.742 481 E HN 0.477 nan 8.360 nan 0.000 0.466 482 F N -0.412 119.510 119.950 -0.046 0.000 2.216 482 F HA -0.099 4.423 4.527 -0.009 0.000 0.300 482 F C 1.267 176.839 175.800 -0.380 0.000 1.085 482 F CA 1.299 59.162 58.000 -0.229 0.000 1.326 482 F CB -0.142 38.649 39.000 -0.349 0.000 1.027 482 F HN 0.071 nan 8.300 nan 0.000 0.497 483 F N -0.470 119.402 119.950 -0.130 0.000 2.262 483 F HA 0.185 4.707 4.527 -0.008 0.000 0.292 483 F C 2.681 178.187 175.800 -0.490 0.000 1.081 483 F CA 1.024 58.839 58.000 -0.307 0.000 1.355 483 F CB -1.342 37.535 39.000 -0.206 0.000 1.069 483 F HN -0.081 nan 8.300 nan 0.000 0.506 484 G N -0.453 108.130 108.800 -0.361 0.000 2.450 484 G HA2 -0.251 3.704 3.960 -0.009 0.000 0.220 484 G HA3 -0.251 3.704 3.960 -0.009 0.000 0.220 484 G C 1.489 176.187 174.900 -0.336 0.000 1.130 484 G CA 0.639 45.288 45.100 -0.751 0.000 0.760 484 G HN 0.332 nan 8.290 nan 0.000 0.557 485 Q N -0.232 119.442 119.800 -0.209 0.000 2.181 485 Q HA -0.075 4.260 4.340 -0.009 0.000 0.205 485 Q C 1.812 177.701 176.000 -0.185 0.000 0.980 485 Q CA 1.206 56.916 55.803 -0.155 0.000 0.862 485 Q CB -0.064 28.569 28.738 -0.175 0.000 0.905 485 Q HN 0.388 nan 8.270 nan 0.000 0.429 486 K N -0.285 119.950 120.400 -0.274 0.000 2.414 486 K HA 0.248 4.562 4.320 -0.009 0.000 0.204 486 K C -0.486 175.977 176.600 -0.229 0.000 1.026 486 K CA -0.141 55.996 56.287 -0.249 0.000 1.108 486 K CB 0.703 33.011 32.500 -0.320 0.000 0.855 486 K HN 0.055 nan 8.250 nan 0.000 0.517 487 L N 1.226 122.310 121.223 -0.232 0.000 2.317 487 L HA 0.430 4.765 4.340 -0.009 0.000 0.281 487 L C 0.090 176.969 176.870 0.014 0.000 1.024 487 L CA -0.929 53.816 54.840 -0.158 0.000 0.810 487 L CB 1.574 43.448 42.059 -0.307 0.000 1.240 487 L HN 0.010 nan 8.230 nan 0.000 0.427 488 A N 1.856 124.699 122.820 0.038 0.000 2.445 488 A HA 0.504 4.819 4.320 -0.009 0.000 0.242 488 A C 1.164 178.802 177.584 0.089 0.000 1.075 488 A CA 0.698 52.771 52.037 0.061 0.000 0.777 488 A CB 0.172 19.195 19.000 0.038 0.000 1.013 488 A HN 1.135 nan 8.150 nan 0.000 0.493 489 G N -0.352 108.395 108.800 -0.089 0.000 2.217 489 G HA2 -0.200 3.755 3.960 -0.009 0.000 0.246 489 G HA3 -0.200 3.755 3.960 -0.009 0.000 0.246 489 G C -0.041 174.628 174.900 -0.385 0.000 0.990 489 G CA 0.377 45.236 45.100 -0.401 0.000 0.627 489 G HN 0.694 nan 8.290 nan 0.000 0.522 490 F N 0.603 120.494 119.950 -0.098 0.000 2.470 490 F HA 0.828 5.349 4.527 -0.009 0.000 0.329 490 F C 0.604 176.589 175.800 0.307 0.000 1.072 490 F CA -0.006 58.070 58.000 0.127 0.000 0.989 490 F CB 2.429 41.481 39.000 0.087 0.000 1.193 490 F HN 0.065 nan 8.300 nan 0.000 0.481 491 T N 0.202 115.039 114.554 0.473 0.000 2.853 491 T HA 0.594 4.939 4.350 -0.009 0.000 0.311 491 T C -0.955 173.840 174.700 0.159 0.000 1.307 491 T CA -0.552 61.693 62.100 0.242 0.000 1.019 491 T CB 1.323 70.205 68.868 0.024 0.000 1.264 491 T HN 0.794 nan 8.240 nan 0.000 0.497 492 T N -0.002 114.591 114.554 0.064 0.000 2.932 492 T HA 0.795 5.140 4.350 -0.009 0.000 0.289 492 T C 0.224 174.901 174.700 -0.038 0.000 1.039 492 T CA -0.549 61.562 62.100 0.018 0.000 1.024 492 T CB 1.388 70.251 68.868 -0.009 0.000 1.090 492 T HN 0.843 nan 8.240 nan 0.000 0.496 493 T N -0.860 113.652 114.554 -0.071 0.000 2.952 493 T HA 0.513 4.858 4.350 -0.009 0.000 0.286 493 T C 0.766 175.342 174.700 -0.206 0.000 1.024 493 T CA -1.040 61.008 62.100 -0.088 0.000 1.029 493 T CB 1.769 70.638 68.868 0.002 0.000 1.094 493 T HN 0.659 nan 8.240 nan 0.000 0.515 494 K N -0.412 119.797 120.400 -0.318 0.000 2.211 494 K HA 0.210 4.525 4.320 -0.009 0.000 0.201 494 K C 0.069 176.192 176.600 -0.795 0.000 1.052 494 K CA 0.823 56.698 56.287 -0.686 0.000 0.973 494 K CB 0.052 31.886 32.500 -1.110 0.000 0.766 494 K HN 0.595 nan 8.250 nan 0.000 0.466 495 F N -0.923 119.095 119.950 0.113 0.000 2.880 495 F HA 0.265 4.787 4.527 -0.009 0.000 0.328 495 F C 0.943 176.846 175.800 0.171 0.000 1.146 495 F CA -0.887 57.258 58.000 0.242 0.000 1.135 495 F CB 0.544 39.696 39.000 0.254 0.000 1.151 495 F HN -0.164 nan 8.300 nan 0.000 0.523 496 G N 0.504 109.337 108.800 0.055 0.000 3.180 496 G HA2 0.087 4.042 3.960 -0.009 0.000 0.252 496 G HA3 0.087 4.042 3.960 -0.009 0.000 0.252 496 G C -0.502 174.295 174.900 -0.171 0.000 0.871 496 G CA -0.225 44.849 45.100 -0.042 0.000 1.979 496 G HN 0.196 nan 8.290 nan 0.000 0.624 497 W N 0.126 121.461 121.300 0.058 0.000 2.251 497 W HA 0.505 5.159 4.660 -0.009 0.000 0.329 497 W C -0.089 176.424 176.519 -0.010 0.000 1.234 497 W CA -0.584 56.781 57.345 0.034 0.000 1.228 497 W CB 1.372 30.867 29.460 0.059 0.000 1.135 497 W HN -0.018 nan 8.180 nan 0.000 0.576 498 V N 2.601 122.655 119.914 0.233 0.000 2.638 498 V HA 0.188 4.303 4.120 -0.009 0.000 0.306 498 V C -0.112 176.066 176.094 0.141 0.000 1.052 498 V CA -1.485 60.890 62.300 0.126 0.000 0.885 498 V CB 1.355 33.245 31.823 0.112 0.000 0.999 498 V HN 0.524 nan 8.190 nan 0.000 0.424 499 Q N 2.031 121.883 119.800 0.088 0.000 2.300 499 Q HA 0.124 4.459 4.340 -0.009 0.000 0.280 499 Q C 0.969 177.087 176.000 0.196 0.000 1.033 499 Q CA 0.616 56.490 55.803 0.118 0.000 0.903 499 Q CB 1.094 29.872 28.738 0.068 0.000 1.195 499 Q HN 1.035 nan 8.270 nan 0.000 0.386 500 S N 3.745 119.510 115.700 0.108 0.000 2.517 500 S HA 0.108 4.573 4.470 -0.009 0.000 0.228 500 S C -0.396 174.298 174.600 0.156 0.000 1.060 500 S CA 0.125 58.415 58.200 0.150 0.000 0.937 500 S CB 0.122 63.330 63.200 0.013 0.000 0.840 500 S HN 0.719 nan 8.310 nan 0.000 0.546 501 Y N -1.241 119.012 120.300 -0.078 0.000 2.424 501 Y HA 0.643 5.187 4.550 -0.009 0.000 0.323 501 Y C 0.486 176.265 175.900 -0.202 0.000 1.174 501 Y CA -1.138 56.834 58.100 -0.214 0.000 1.060 501 Y CB 0.593 38.886 38.460 -0.279 0.000 1.314 501 Y HN 0.679 nan 8.280 nan 0.000 0.439 502 G N 2.233 110.860 108.800 -0.289 0.000 2.611 502 G HA2 -0.344 3.611 3.960 -0.009 0.000 0.301 502 G HA3 -0.344 3.611 3.960 -0.009 0.000 0.301 502 G C 0.971 175.766 174.900 -0.175 0.000 1.233 502 G CA 1.369 45.946 45.100 -0.871 0.000 0.993 502 G HN 2.004 nan 8.290 nan 0.000 0.553 503 S N 0.740 116.408 115.700 -0.052 0.000 2.593 503 S HA 0.304 4.769 4.470 -0.009 0.000 0.217 503 S C 0.897 175.477 174.600 -0.034 0.000 0.966 503 S CA 0.509 58.708 58.200 -0.001 0.000 0.914 503 S CB 0.157 63.322 63.200 -0.059 0.000 0.776 503 S HN 0.671 nan 8.310 nan 0.000 0.523 504 R N 2.049 122.439 120.500 -0.183 0.000 2.308 504 R HA 0.771 5.105 4.340 -0.009 0.000 0.305 504 R C -0.156 176.044 176.300 -0.167 0.000 1.053 504 R CA 0.003 55.930 56.100 -0.288 0.000 0.957 504 R CB 0.757 30.634 30.300 -0.706 0.000 1.022 504 R HN 0.393 nan 8.270 nan 0.000 0.461 505 A N 1.972 124.773 122.820 -0.033 0.000 2.469 505 A HA 0.722 5.036 4.320 -0.009 0.000 0.299 505 A C -0.603 177.194 177.584 0.354 0.000 1.098 505 A CA -0.733 51.398 52.037 0.156 0.000 0.737 505 A CB 1.710 20.845 19.000 0.225 0.000 1.312 505 A HN 0.478 nan 8.150 nan 0.000 0.414 506 V N -1.395 118.709 119.914 0.316 0.000 2.864 506 V HA 0.793 4.908 4.120 -0.009 0.000 0.314 506 V C -0.459 175.591 176.094 -0.074 0.000 1.073 506 V CA -0.859 61.531 62.300 0.149 0.000 0.956 506 V CB 1.742 33.531 31.823 -0.056 0.000 1.023 506 V HN 0.907 nan 8.190 nan 0.000 0.435 507 K N 3.457 123.566 120.400 -0.485 0.000 2.484 507 K HA 0.561 4.876 4.320 -0.009 0.000 0.226 507 K C -2.730 173.672 176.600 -0.331 0.000 1.031 507 K CA -1.729 54.138 56.287 -0.700 0.000 1.026 507 K CB 1.038 32.683 32.500 -1.425 0.000 1.412 507 K HN 0.634 nan 8.250 nan 0.000 0.492 508 P HA 0.072 nan 4.420 nan 0.000 0.268 508 P C -2.543 174.757 177.300 0.001 0.000 1.205 508 P CA -0.882 62.130 63.100 -0.147 0.000 0.771 508 P CB 0.296 31.717 31.700 -0.466 0.000 0.858 509 P HA 0.291 nan 4.420 nan 0.000 0.276 509 P C -0.618 176.806 177.300 0.207 0.000 1.261 509 P CA -0.089 63.119 63.100 0.179 0.000 0.800 509 P CB 0.994 32.881 31.700 0.310 0.000 1.066 510 I N 1.272 121.969 120.570 0.211 0.000 2.389 510 I HA 0.327 4.492 4.170 -0.009 0.000 0.288 510 I C 0.397 176.600 176.117 0.144 0.000 0.999 510 I CA -0.843 60.581 61.300 0.206 0.000 1.129 510 I CB 1.335 39.426 38.000 0.151 0.000 1.288 510 I HN 0.100 nan 8.210 nan 0.000 0.444 511 I N 7.055 127.630 120.570 0.009 0.000 2.269 511 I HA 0.034 4.199 4.170 -0.009 0.000 0.293 511 I C 0.587 176.779 176.117 0.125 0.000 1.106 511 I CA -0.177 60.937 61.300 -0.311 0.000 1.248 511 I CB -0.020 37.692 38.000 -0.481 0.000 1.444 511 I HN 0.667 nan 8.210 nan 0.000 0.497 512 Y N 4.134 124.484 120.300 0.083 0.000 2.509 512 Y HA 0.586 5.131 4.550 -0.009 0.000 0.270 512 Y C 0.939 176.826 175.900 -0.021 0.000 1.103 512 Y CA -0.248 57.969 58.100 0.196 0.000 1.278 512 Y CB 0.043 38.596 38.460 0.156 0.000 1.087 512 Y HN 0.332 nan 8.280 nan 0.000 0.542 513 G N -0.191 108.190 108.800 -0.699 0.000 3.022 513 G HA2 0.287 4.242 3.960 -0.009 0.000 0.284 513 G HA3 0.287 4.242 3.960 -0.009 0.000 0.284 513 G C -1.690 173.068 174.900 -0.236 0.000 1.375 513 G CA -0.995 43.884 45.100 -0.369 0.000 0.902 513 G HN 0.007 nan 8.290 nan 0.000 0.538 514 D N 0.421 120.765 120.400 -0.092 0.000 2.458 514 D HA 0.205 4.840 4.640 -0.009 0.000 0.243 514 D C 0.502 176.783 176.300 -0.032 0.000 1.146 514 D CA 0.328 54.301 54.000 -0.045 0.000 0.877 514 D CB 1.699 42.496 40.800 -0.005 0.000 1.176 514 D HN 0.021 nan 8.370 nan 0.000 0.461 515 V N 3.239 123.162 119.914 0.015 0.000 2.530 515 V HA 0.170 4.285 4.120 -0.009 0.000 0.282 515 V C 0.397 176.543 176.094 0.088 0.000 1.048 515 V CA 0.043 62.404 62.300 0.101 0.000 0.997 515 V CB 0.908 32.843 31.823 0.186 0.000 0.987 515 V HN 0.472 nan 8.190 nan 0.000 0.477 516 Q N 2.583 122.439 119.800 0.093 0.000 2.320 516 Q HA 0.285 4.620 4.340 -0.009 0.000 0.272 516 Q C -1.314 174.740 176.000 0.090 0.000 1.023 516 Q CA -0.739 55.113 55.803 0.083 0.000 0.855 516 Q CB 1.816 30.589 28.738 0.059 0.000 1.367 516 Q HN 0.908 nan 8.270 nan 0.000 0.406 517 H N 5.727 124.799 119.070 0.003 0.000 2.668 517 H HA 0.259 4.810 4.556 -0.009 0.000 0.303 517 H C -0.344 174.979 175.328 -0.009 0.000 1.074 517 H CA 0.346 56.387 56.048 -0.011 0.000 1.406 517 H CB 0.676 30.428 29.762 -0.017 0.000 1.442 517 H HN 0.752 nan 8.280 nan 0.000 0.482 518 L N 4.084 125.210 121.223 -0.162 0.000 2.878 518 L HA 0.204 4.539 4.340 -0.009 0.000 0.253 518 L C 0.057 176.859 176.870 -0.112 0.000 1.135 518 L CA 0.070 54.878 54.840 -0.054 0.000 0.943 518 L CB 0.484 42.518 42.059 -0.040 0.000 1.307 518 L HN 0.616 nan 8.230 nan 0.000 0.545 519 E N -0.522 119.466 120.200 -0.352 0.000 2.412 519 E HA 0.401 4.746 4.350 -0.009 0.000 0.279 519 E C -2.904 173.516 176.600 -0.300 0.000 0.984 519 E CA -2.190 54.078 56.400 -0.220 0.000 0.788 519 E CB 1.567 31.174 29.700 -0.156 0.000 1.277 519 E HN -0.282 nan 8.360 nan 0.000 0.455 520 P HA 0.057 nan 4.420 nan 0.000 0.268 520 P C -0.041 177.217 177.300 -0.070 0.000 1.205 520 P CA 0.084 63.204 63.100 0.033 0.000 0.771 520 P CB 1.191 32.915 31.700 0.040 0.000 0.858 521 I N 1.923 122.477 120.570 -0.027 0.000 3.565 521 I HA -0.022 4.143 4.170 -0.009 0.000 0.287 521 I C 1.881 177.931 176.117 -0.112 0.000 1.193 521 I CA 1.080 62.282 61.300 -0.163 0.000 1.402 521 I CB -0.166 37.744 38.000 -0.150 0.000 1.284 521 I HN 0.375 nan 8.210 nan 0.000 0.454 522 T N -2.418 112.162 114.554 0.044 0.000 3.043 522 T HA 0.210 4.555 4.350 -0.009 0.000 0.272 522 T C 1.487 176.203 174.700 0.028 0.000 0.990 522 T CA 0.042 62.201 62.100 0.097 0.000 0.897 522 T CB -0.022 68.952 68.868 0.178 0.000 1.111 522 T HN -0.050 nan 8.240 nan 0.000 0.529 523 V N 1.895 121.826 119.914 0.029 0.000 2.255 523 V HA -0.201 3.914 4.120 -0.009 0.000 0.247 523 V C 2.711 178.802 176.094 -0.004 0.000 1.051 523 V CA 2.494 64.802 62.300 0.013 0.000 1.018 523 V CB -0.829 31.010 31.823 0.026 0.000 0.641 523 V HN 0.632 nan 8.190 nan 0.000 0.445 524 E N 0.216 120.417 120.200 0.001 0.000 2.048 524 E HA -0.332 4.013 4.350 -0.009 0.000 0.202 524 E C 2.132 178.733 176.600 0.002 0.000 1.021 524 E CA 2.286 58.690 56.400 0.006 0.000 0.825 524 E CB -0.108 29.590 29.700 -0.003 0.000 0.756 524 E HN 0.722 nan 8.360 nan 0.000 0.454 525 E N -0.487 119.675 120.200 -0.064 0.000 2.106 525 E HA -0.116 4.229 4.350 -0.009 0.000 0.192 525 E C 2.108 178.586 176.600 -0.204 0.000 0.984 525 E CA 1.720 58.042 56.400 -0.129 0.000 0.806 525 E CB -0.198 29.352 29.700 -0.250 0.000 0.750 525 E HN 0.256 nan 8.360 nan 0.000 0.458 526 T N 0.235 114.622 114.554 -0.279 0.000 2.708 526 T HA -0.116 4.229 4.350 -0.009 0.000 0.266 526 T C 2.030 176.707 174.700 -0.038 0.000 1.037 526 T CA 1.215 63.199 62.100 -0.195 0.000 1.146 526 T CB -0.304 68.492 68.868 -0.119 0.000 0.865 526 T HN -0.023 nan 8.240 nan 0.000 0.435 527 V N 0.451 120.364 119.914 -0.002 0.000 2.427 527 V HA -0.144 3.971 4.120 -0.009 0.000 0.248 527 V C 2.028 178.153 176.094 0.052 0.000 1.051 527 V CA 1.404 63.719 62.300 0.025 0.000 1.048 527 V CB -0.739 31.103 31.823 0.033 0.000 0.666 527 V HN 0.476 nan 8.190 nan 0.000 0.456 528 Y N 1.585 121.868 120.300 -0.027 0.000 2.114 528 Y HA -0.250 4.295 4.550 -0.009 0.000 0.284 528 Y C 2.426 178.337 175.900 0.018 0.000 1.143 528 Y CA 1.674 59.771 58.100 -0.004 0.000 1.135 528 Y CB -0.649 37.808 38.460 -0.006 0.000 0.980 528 Y HN 0.148 nan 8.280 nan 0.000 0.499 529 A N -0.153 122.716 122.820 0.081 0.000 1.908 529 A HA -0.289 4.026 4.320 -0.009 0.000 0.218 529 A C 2.144 179.713 177.584 -0.024 0.000 1.181 529 A CA 2.019 54.086 52.037 0.049 0.000 0.627 529 A CB -0.921 18.180 19.000 0.169 0.000 0.818 529 A HN 0.569 nan 8.150 nan 0.000 0.445 530 Q N 0.739 120.530 119.800 -0.014 0.000 2.224 530 Q HA -0.108 4.227 4.340 -0.009 0.000 0.203 530 Q C 2.043 178.013 176.000 -0.051 0.000 0.970 530 Q CA 2.041 57.834 55.803 -0.015 0.000 0.865 530 Q CB -0.544 28.193 28.738 -0.001 0.000 0.922 530 Q HN 0.736 nan 8.270 nan 0.000 0.445 531 S N -1.207 114.432 115.700 -0.102 0.000 2.515 531 S HA -0.013 4.451 4.470 -0.009 0.000 0.231 531 S C 1.408 175.919 174.600 -0.148 0.000 0.987 531 S CA 0.525 58.653 58.200 -0.119 0.000 0.936 531 S CB -0.177 62.938 63.200 -0.141 0.000 0.766 531 S HN 0.465 nan 8.310 nan 0.000 0.528 532 L N 0.755 121.872 121.223 -0.177 0.000 2.607 532 L HA 0.358 4.693 4.340 -0.009 0.000 0.228 532 L C 0.911 177.744 176.870 -0.063 0.000 1.123 532 L CA 0.037 54.790 54.840 -0.145 0.000 0.890 532 L CB 0.301 42.247 42.059 -0.189 0.000 1.103 532 L HN 0.323 nan 8.230 nan 0.000 0.468 533 T N -1.566 112.964 114.554 -0.039 0.000 2.853 533 T HA 0.125 4.470 4.350 -0.009 0.000 0.311 533 T C -0.093 174.606 174.700 -0.001 0.000 1.307 533 T CA -0.551 61.544 62.100 -0.009 0.000 1.019 533 T CB 1.697 70.575 68.868 0.017 0.000 1.264 533 T HN 0.262 nan 8.240 nan 0.000 0.497 534 D N 1.603 122.007 120.400 0.006 0.000 2.333 534 D HA 0.009 4.644 4.640 -0.009 0.000 0.208 534 D C 0.365 176.679 176.300 0.023 0.000 0.984 534 D CA -0.067 53.939 54.000 0.011 0.000 0.873 534 D CB 0.281 41.087 40.800 0.009 0.000 0.935 534 D HN 0.414 nan 8.370 nan 0.000 0.521 535 R N 1.513 122.030 120.500 0.029 0.000 2.539 535 R HA 0.349 4.684 4.340 -0.009 0.000 0.275 535 R C -2.466 173.862 176.300 0.047 0.000 1.077 535 R CA -1.686 54.439 56.100 0.041 0.000 1.097 535 R CB -0.321 30.008 30.300 0.049 0.000 1.018 535 R HN 0.002 nan 8.270 nan 0.000 0.483 536 P HA 0.020 nan 4.420 nan 0.000 0.268 536 P C -0.703 176.634 177.300 0.061 0.000 1.204 536 P CA 0.005 63.138 63.100 0.056 0.000 0.768 536 P CB 0.629 32.371 31.700 0.071 0.000 0.842 537 V N 4.683 124.625 119.914 0.045 0.000 2.448 537 V HA 0.246 4.361 4.120 -0.009 0.000 0.295 537 V C 0.434 176.541 176.094 0.021 0.000 1.025 537 V CA -0.667 61.663 62.300 0.049 0.000 0.859 537 V CB 1.490 33.346 31.823 0.054 0.000 0.988 537 V HN 0.437 nan 8.190 nan 0.000 0.431 538 K N 2.654 123.057 120.400 0.006 0.000 2.237 538 K HA 0.499 4.814 4.320 -0.009 0.000 0.270 538 K C 0.541 177.137 176.600 -0.006 0.000 1.015 538 K CA -0.142 56.118 56.287 -0.044 0.000 0.949 538 K CB 1.228 33.664 32.500 -0.105 0.000 0.976 538 K HN 0.871 nan 8.250 nan 0.000 0.472 539 G N 1.245 110.033 108.800 -0.019 0.000 2.448 539 G HA2 0.448 4.403 3.960 -0.009 0.000 0.285 539 G HA3 0.448 4.403 3.960 -0.009 0.000 0.285 539 G C -0.953 173.965 174.900 0.030 0.000 1.176 539 G CA -0.495 44.615 45.100 0.018 0.000 0.852 539 G HN 0.377 nan 8.290 nan 0.000 0.530 540 M N 1.588 121.244 119.600 0.094 0.000 2.093 540 M HA 0.530 5.005 4.480 -0.009 0.000 0.297 540 M C -0.964 175.468 176.300 0.219 0.000 0.938 540 M CA -0.409 54.953 55.300 0.104 0.000 0.920 540 M CB 1.125 33.775 32.600 0.084 0.000 1.517 540 M HN 0.334 nan 8.290 nan 0.000 0.427 541 L N 1.791 123.080 121.223 0.109 0.000 2.309 541 L HA 0.773 5.108 4.340 -0.009 0.000 0.261 541 L C -0.224 176.518 176.870 -0.214 0.000 1.021 541 L CA -0.996 53.835 54.840 -0.015 0.000 0.823 541 L CB 2.483 44.463 42.059 -0.132 0.000 1.366 541 L HN 0.422 nan 8.230 nan 0.000 0.423 542 T N 0.342 114.514 114.554 -0.636 0.000 2.824 542 T HA 0.499 4.844 4.350 -0.009 0.000 0.280 542 T C 0.292 174.734 174.700 -0.429 0.000 0.995 542 T CA -0.438 61.389 62.100 -0.455 0.000 1.009 542 T CB 1.765 70.370 68.868 -0.439 0.000 0.955 542 T HN 0.757 nan 8.240 nan 0.000 0.452 543 G N 2.691 111.327 108.800 -0.273 0.000 2.580 543 G HA2 0.382 4.337 3.960 -0.009 0.000 0.278 543 G HA3 0.382 4.337 3.960 -0.009 0.000 0.278 543 G C -1.216 173.512 174.900 -0.288 0.000 1.212 543 G CA -1.347 43.616 45.100 -0.228 0.000 0.939 543 G HN 0.416 nan 8.290 nan 0.000 0.513 544 P HA -0.096 nan 4.420 nan 0.000 0.218 544 P C 1.903 178.827 177.300 -0.626 0.000 1.149 544 P CA 0.904 63.683 63.100 -0.536 0.000 0.817 544 P CB 0.265 31.510 31.700 -0.757 0.000 0.785 545 I N 0.051 120.336 120.570 -0.475 0.000 2.179 545 I HA -0.210 3.955 4.170 -0.009 0.000 0.242 545 I C 2.312 178.371 176.117 -0.096 0.000 1.088 545 I CA 1.974 63.154 61.300 -0.200 0.000 1.357 545 I CB -1.215 36.759 38.000 -0.044 0.000 1.051 545 I HN -0.004 nan 8.210 nan 0.000 0.409 546 T N 0.866 115.299 114.554 -0.201 0.000 2.857 546 T HA -0.000 4.345 4.350 -0.009 0.000 0.266 546 T C 1.930 176.451 174.700 -0.298 0.000 1.048 546 T CA 1.033 62.931 62.100 -0.336 0.000 1.139 546 T CB -0.162 68.383 68.868 -0.539 0.000 0.874 546 T HN 0.220 nan 8.240 nan 0.000 0.455 547 I N 2.031 122.483 120.570 -0.197 0.000 2.202 547 I HA -0.185 3.980 4.170 -0.009 0.000 0.242 547 I C 2.993 179.167 176.117 0.096 0.000 1.091 547 I CA 1.598 62.885 61.300 -0.022 0.000 1.368 547 I CB -0.689 37.313 38.000 0.004 0.000 1.058 547 I HN 0.406 nan 8.210 nan 0.000 0.410 548 T N -1.738 112.842 114.554 0.043 0.000 2.812 548 T HA -0.176 4.169 4.350 -0.009 0.000 0.264 548 T C 1.786 176.613 174.700 0.212 0.000 1.042 548 T CA 1.328 63.517 62.100 0.149 0.000 1.140 548 T CB -0.613 68.391 68.868 0.227 0.000 0.870 548 T HN 0.332 nan 8.240 nan 0.000 0.445 549 N N -0.183 118.652 118.700 0.225 0.000 2.142 549 N HA -0.111 4.624 4.740 -0.009 0.000 0.186 549 N C 1.500 177.210 175.510 0.332 0.000 1.023 549 N CA 1.257 54.475 53.050 0.280 0.000 0.852 549 N CB -0.219 38.454 38.487 0.310 0.000 0.998 549 N HN 0.485 nan 8.380 nan 0.000 0.424 550 W N 1.472 122.787 121.300 0.025 0.000 2.467 550 W HA 0.204 4.858 4.660 -0.010 0.000 0.275 550 W C 1.198 177.662 176.519 -0.092 0.000 1.239 550 W CA -0.127 57.208 57.345 -0.017 0.000 1.266 550 W CB -0.741 28.741 29.460 0.035 0.000 1.112 550 W HN -0.143 nan 8.180 nan 0.000 0.576 551 S N -0.108 115.710 115.700 0.197 0.000 2.693 551 S HA 0.344 4.809 4.470 -0.009 0.000 0.276 551 S C -0.874 173.721 174.600 -0.009 0.000 1.192 551 S CA -0.646 57.607 58.200 0.088 0.000 0.994 551 S CB 0.841 64.147 63.200 0.177 0.000 1.012 551 S HN -0.233 nan 8.310 nan 0.000 0.550 552 F N 2.591 122.604 119.950 0.105 0.000 2.368 552 F HA 0.222 4.744 4.527 -0.009 0.000 0.362 552 F C 1.085 177.007 175.800 0.204 0.000 1.137 552 F CA -0.994 57.068 58.000 0.104 0.000 1.161 552 F CB 0.157 39.134 39.000 -0.039 0.000 1.265 552 F HN 0.543 nan 8.300 nan 0.000 0.530 553 E N 3.507 123.959 120.200 0.419 0.000 2.374 553 E HA 0.364 4.709 4.350 -0.009 0.000 0.260 553 E C -0.288 176.621 176.600 0.514 0.000 1.101 553 E CA -0.919 55.695 56.400 0.356 0.000 0.907 553 E CB 0.967 30.827 29.700 0.267 0.000 1.014 553 E HN 0.458 nan 8.360 nan 0.000 0.427 554 R N 0.049 120.706 120.500 0.262 0.000 2.694 554 R HA 0.067 4.402 4.340 -0.009 0.000 0.268 554 R C 0.721 176.992 176.300 -0.048 0.000 1.061 554 R CA 0.826 56.871 56.100 -0.092 0.000 1.133 554 R CB 0.343 30.487 30.300 -0.261 0.000 1.020 554 R HN 0.792 nan 8.270 nan 0.000 0.475 555 T N -3.480 110.931 114.554 -0.239 0.000 3.145 555 T HA 0.013 4.358 4.350 -0.009 0.000 0.281 555 T C 0.556 175.203 174.700 -0.087 0.000 1.003 555 T CA -0.296 61.780 62.100 -0.040 0.000 0.901 555 T CB 0.094 69.028 68.868 0.110 0.000 1.112 555 T HN 0.685 nan 8.240 nan 0.000 0.535 556 D N 1.998 122.282 120.400 -0.194 0.000 2.350 556 D HA 0.107 4.741 4.640 -0.009 0.000 0.213 556 D C 0.838 177.087 176.300 -0.084 0.000 1.031 556 D CA -0.222 53.699 54.000 -0.132 0.000 0.861 556 D CB 0.117 40.784 40.800 -0.222 0.000 0.926 556 D HN 0.721 nan 8.370 nan 0.000 0.520 557 I N -2.684 117.841 120.570 -0.075 0.000 2.828 557 I HA 0.539 4.704 4.170 -0.009 0.000 0.302 557 I C -2.774 173.332 176.117 -0.019 0.000 1.101 557 I CA -2.565 58.709 61.300 -0.043 0.000 1.031 557 I CB 2.199 40.173 38.000 -0.043 0.000 1.231 557 I HN -0.383 nan 8.210 nan 0.000 0.427 558 P HA 0.108 nan 4.420 nan 0.000 0.270 558 P C 0.188 177.475 177.300 -0.023 0.000 1.223 558 P CA -0.265 62.824 63.100 -0.018 0.000 0.785 558 P CB 1.204 32.888 31.700 -0.027 0.000 0.923 559 R N 1.432 121.898 120.500 -0.056 0.000 2.083 559 R HA -0.201 4.133 4.340 -0.009 0.000 0.237 559 R C 1.640 177.807 176.300 -0.221 0.000 1.137 559 R CA 2.492 58.507 56.100 -0.142 0.000 0.951 559 R CB -0.593 29.556 30.300 -0.252 0.000 0.851 559 R HN 0.569 nan 8.270 nan 0.000 0.434 560 D N -0.259 120.022 120.400 -0.199 0.000 2.144 560 D HA -0.258 4.377 4.640 -0.009 0.000 0.199 560 D C 1.824 178.135 176.300 0.018 0.000 0.984 560 D CA 1.272 55.195 54.000 -0.129 0.000 0.834 560 D CB -0.632 40.099 40.800 -0.116 0.000 0.955 560 D HN 0.463 nan 8.370 nan 0.000 0.465 561 Q N -0.559 119.248 119.800 0.012 0.000 2.084 561 Q HA -0.130 4.205 4.340 -0.009 0.000 0.202 561 Q C 2.183 178.234 176.000 0.086 0.000 0.978 561 Q CA 0.887 56.715 55.803 0.041 0.000 0.844 561 Q CB -0.156 28.590 28.738 0.014 0.000 0.898 561 Q HN 0.297 nan 8.270 nan 0.000 0.426 562 L N 0.029 121.318 121.223 0.110 0.000 2.017 562 L HA -0.126 4.209 4.340 -0.009 0.000 0.208 562 L C 1.936 178.963 176.870 0.261 0.000 1.073 562 L CA 1.726 56.664 54.840 0.163 0.000 0.745 562 L CB -0.882 41.290 42.059 0.188 0.000 0.894 562 L HN 0.218 nan 8.230 nan 0.000 0.432 563 F N 0.662 120.620 119.950 0.012 0.000 2.120 563 F HA -0.241 4.282 4.527 -0.007 0.000 0.300 563 F C 2.432 178.240 175.800 0.013 0.000 1.095 563 F CA 1.545 59.546 58.000 0.002 0.000 1.249 563 F CB -1.190 37.794 39.000 -0.026 0.000 0.995 563 F HN 0.291 nan 8.300 nan 0.000 0.480 564 N N 0.028 118.869 118.700 0.235 0.000 2.188 564 N HA -0.150 4.584 4.740 -0.009 0.000 0.184 564 N C 1.812 177.373 175.510 0.084 0.000 1.018 564 N CA 1.022 54.161 53.050 0.148 0.000 0.858 564 N CB -0.559 38.023 38.487 0.159 0.000 0.989 564 N HN 0.450 nan 8.380 nan 0.000 0.426 565 Q N 0.309 120.160 119.800 0.084 0.000 2.084 565 Q HA -0.004 4.331 4.340 -0.009 0.000 0.202 565 Q C 2.057 178.088 176.000 0.052 0.000 0.978 565 Q CA 0.885 56.725 55.803 0.061 0.000 0.844 565 Q CB -0.089 28.686 28.738 0.061 0.000 0.898 565 Q HN 0.422 nan 8.270 nan 0.000 0.426 566 I N 0.416 121.017 120.570 0.051 0.000 2.315 566 I HA -0.169 3.996 4.170 -0.009 0.000 0.248 566 I C 2.343 178.436 176.117 -0.041 0.000 1.117 566 I CA 1.031 62.341 61.300 0.017 0.000 1.404 566 I CB -0.612 37.375 38.000 -0.022 0.000 1.071 566 I HN 0.264 nan 8.210 nan 0.000 0.419 567 G N 1.188 109.963 108.800 -0.042 0.000 2.418 567 G HA2 -0.192 3.763 3.960 -0.009 0.000 0.217 567 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.217 567 G C 1.727 176.579 174.900 -0.081 0.000 1.158 567 G CA 0.474 45.526 45.100 -0.079 0.000 0.771 567 G HN 0.254 nan 8.290 nan 0.000 0.545 568 L N 0.546 121.745 121.223 -0.040 0.000 2.046 568 L HA -0.062 4.273 4.340 -0.009 0.000 0.208 568 L C 3.417 180.255 176.870 -0.053 0.000 1.077 568 L CA 1.034 55.849 54.840 -0.042 0.000 0.747 568 L CB -0.381 41.673 42.059 -0.008 0.000 0.896 568 L HN 0.318 nan 8.230 nan 0.000 0.432 569 A N 0.174 122.983 122.820 -0.018 0.000 1.902 569 A HA -0.172 4.143 4.320 -0.009 0.000 0.217 569 A C 2.191 179.744 177.584 -0.052 0.000 1.181 569 A CA 1.444 53.491 52.037 0.017 0.000 0.623 569 A CB -0.611 18.436 19.000 0.077 0.000 0.818 569 A HN 0.357 nan 8.150 nan 0.000 0.443 570 I N -0.447 120.066 120.570 -0.094 0.000 2.252 570 I HA -0.262 3.903 4.170 -0.009 0.000 0.245 570 I C 2.529 178.547 176.117 -0.165 0.000 1.102 570 I CA 1.801 63.016 61.300 -0.142 0.000 1.385 570 I CB -0.247 37.637 38.000 -0.193 0.000 1.064 570 I HN 0.408 nan 8.210 nan 0.000 0.414 571 K N 1.067 121.367 120.400 -0.166 0.000 2.063 571 K HA -0.257 4.057 4.320 -0.009 0.000 0.208 571 K C 1.628 178.112 176.600 -0.193 0.000 1.048 571 K CA 2.143 58.330 56.287 -0.167 0.000 0.928 571 K CB -0.106 32.310 32.500 -0.140 0.000 0.713 571 K HN 0.225 nan 8.250 nan 0.000 0.442 572 D N 0.513 120.760 120.400 -0.254 0.000 2.144 572 D HA -0.173 4.462 4.640 -0.009 0.000 0.199 572 D C 1.873 177.861 176.300 -0.521 0.000 0.984 572 D CA 1.248 55.005 54.000 -0.405 0.000 0.834 572 D CB -0.124 40.346 40.800 -0.550 0.000 0.955 572 D HN 0.384 nan 8.370 nan 0.000 0.465 573 E N 0.667 120.584 120.200 -0.472 0.000 2.072 573 E HA -0.064 4.281 4.350 -0.009 0.000 0.191 573 E C 2.122 178.664 176.600 -0.097 0.000 0.985 573 E CA 0.583 56.869 56.400 -0.190 0.000 0.801 573 E CB -0.304 29.424 29.700 0.047 0.000 0.750 573 E HN 0.255 nan 8.360 nan 0.000 0.452 574 I N 0.308 120.808 120.570 -0.116 0.000 2.361 574 I HA -0.233 3.932 4.170 -0.009 0.000 0.251 574 I C 2.198 178.266 176.117 -0.082 0.000 1.133 574 I CA 1.076 62.322 61.300 -0.089 0.000 1.413 574 I CB -0.234 37.697 38.000 -0.114 0.000 1.073 574 I HN 0.095 nan 8.210 nan 0.000 0.424 575 K N 1.203 121.539 120.400 -0.106 0.000 2.097 575 K HA -0.155 4.160 4.320 -0.009 0.000 0.205 575 K C 1.850 178.414 176.600 -0.059 0.000 1.050 575 K CA 1.472 57.709 56.287 -0.083 0.000 0.938 575 K CB -0.243 32.198 32.500 -0.098 0.000 0.718 575 K HN 0.032 nan 8.250 nan 0.000 0.442 576 L N 0.575 121.762 121.223 -0.060 0.000 2.056 576 L HA -0.033 4.302 4.340 -0.009 0.000 0.207 576 L C 2.106 178.972 176.870 -0.008 0.000 1.078 576 L CA 1.443 56.271 54.840 -0.020 0.000 0.749 576 L CB -0.730 41.335 42.059 0.010 0.000 0.901 576 L HN 0.187 nan 8.230 nan 0.000 0.433 577 L N -0.998 120.219 121.223 -0.010 0.000 2.017 577 L HA -0.225 4.110 4.340 -0.009 0.000 0.208 577 L C 2.546 179.410 176.870 -0.011 0.000 1.073 577 L CA 1.428 56.266 54.840 -0.004 0.000 0.745 577 L CB -0.481 41.576 42.059 -0.003 0.000 0.894 577 L HN 0.351 nan 8.230 nan 0.000 0.432 578 E N 0.249 120.437 120.200 -0.021 0.000 2.077 578 E HA -0.236 4.109 4.350 -0.009 0.000 0.193 578 E C 1.894 178.485 176.600 -0.015 0.000 0.989 578 E CA 1.274 57.662 56.400 -0.020 0.000 0.800 578 E CB 0.116 29.799 29.700 -0.029 0.000 0.746 578 E HN 0.427 nan 8.360 nan 0.000 0.452 579 N N 0.418 119.109 118.700 -0.016 0.000 2.223 579 N HA -0.128 4.607 4.740 -0.009 0.000 0.185 579 N C 1.366 176.874 175.510 -0.004 0.000 1.016 579 N CA 1.254 54.297 53.050 -0.011 0.000 0.863 579 N CB -0.319 38.161 38.487 -0.011 0.000 0.983 579 N HN 0.207 nan 8.380 nan 0.000 0.429 580 A N -0.366 122.453 122.820 -0.002 0.000 2.235 580 A HA 0.386 4.701 4.320 -0.009 0.000 0.208 580 A C 1.459 179.044 177.584 0.002 0.000 1.172 580 A CA 0.906 52.944 52.037 0.003 0.000 0.786 580 A CB -0.379 18.626 19.000 0.007 0.000 0.804 580 A HN 0.342 nan 8.150 nan 0.000 0.479 581 G N -1.078 107.721 108.800 -0.001 0.000 2.159 581 G HA2 -0.164 3.791 3.960 -0.009 0.000 0.227 581 G HA3 -0.164 3.791 3.960 -0.009 0.000 0.227 581 G C -0.061 174.839 174.900 0.000 0.000 0.986 581 G CA -0.020 45.080 45.100 -0.000 0.000 0.651 581 G HN 0.297 nan 8.290 nan 0.000 0.523 582 I N 1.506 122.074 120.570 -0.002 0.000 2.452 582 I HA 0.431 4.596 4.170 -0.009 0.000 0.287 582 I C 1.651 177.765 176.117 -0.005 0.000 1.079 582 I CA 0.501 61.799 61.300 -0.003 0.000 1.387 582 I CB 0.574 38.571 38.000 -0.005 0.000 1.404 582 I HN 0.235 nan 8.210 nan 0.000 0.522 583 A N 7.803 130.623 122.820 0.000 0.000 2.072 583 A HA 0.241 4.556 4.320 -0.009 0.000 0.216 583 A C 0.900 178.484 177.584 -0.000 0.000 1.156 583 A CA 0.740 52.781 52.037 0.005 0.000 0.701 583 A CB 0.066 19.076 19.000 0.017 0.000 0.816 583 A HN 0.640 nan 8.150 nan 0.000 0.458 584 I N 0.197 120.751 120.570 -0.026 0.000 2.499 584 I HA 0.450 4.615 4.170 -0.009 0.000 0.288 584 I C -1.298 174.758 176.117 -0.102 0.000 1.048 584 I CA -0.423 60.824 61.300 -0.087 0.000 1.062 584 I CB 2.047 39.946 38.000 -0.168 0.000 1.238 584 I HN -0.026 nan 8.210 nan 0.000 0.426 585 I N 5.249 125.764 120.570 -0.091 0.000 2.498 585 I HA 0.363 4.528 4.170 -0.009 0.000 0.290 585 I C -0.592 175.498 176.117 -0.045 0.000 1.032 585 I CA -0.503 60.761 61.300 -0.060 0.000 1.073 585 I CB 2.219 40.195 38.000 -0.040 0.000 1.251 585 I HN 0.587 nan 8.210 nan 0.000 0.426 586 Q N 4.944 124.723 119.800 -0.035 0.000 2.312 586 Q HA 0.594 4.929 4.340 -0.009 0.000 0.263 586 Q C -1.665 174.349 176.000 0.023 0.000 0.995 586 Q CA -0.692 55.121 55.803 0.016 0.000 0.853 586 Q CB 2.486 31.216 28.738 -0.014 0.000 1.300 586 Q HN 0.505 nan 8.270 nan 0.000 0.448 587 V N 4.532 124.488 119.914 0.069 0.000 2.347 587 V HA 0.241 4.355 4.120 -0.009 0.000 0.280 587 V C -0.625 175.499 176.094 0.050 0.000 1.021 587 V CA -0.701 61.630 62.300 0.052 0.000 0.847 587 V CB 1.459 33.385 31.823 0.172 0.000 0.990 587 V HN 0.790 nan 8.190 nan 0.000 0.444 588 D N 4.215 124.608 120.400 -0.012 0.000 2.210 588 D HA 0.464 5.099 4.640 -0.009 0.000 0.249 588 D C -0.134 176.117 176.300 -0.083 0.000 1.062 588 D CA -0.221 53.772 54.000 -0.010 0.000 0.891 588 D CB 1.749 42.543 40.800 -0.011 0.000 1.186 588 D HN 0.442 nan 8.370 nan 0.000 0.432 589 E N 0.530 120.681 120.200 -0.082 0.000 2.343 589 E HA 0.413 4.758 4.350 -0.009 0.000 0.260 589 E C -0.488 176.054 176.600 -0.098 0.000 0.908 589 E CA -0.568 55.758 56.400 -0.123 0.000 0.814 589 E CB 1.914 31.540 29.700 -0.123 0.000 1.302 589 E HN 0.433 nan 8.360 nan 0.000 0.408 590 A N 1.442 124.206 122.820 -0.093 0.000 2.324 590 A HA 0.374 4.689 4.320 -0.009 0.000 0.220 590 A C 1.291 178.947 177.584 0.119 0.000 1.209 590 A CA 0.736 52.785 52.037 0.020 0.000 0.918 590 A CB 0.520 19.564 19.000 0.074 0.000 0.959 590 A HN 0.401 nan 8.150 nan 0.000 0.507 591 A N -0.420 122.452 122.820 0.087 0.000 2.507 591 A HA 0.446 4.761 4.320 -0.009 0.000 0.270 591 A C 1.409 179.081 177.584 0.147 0.000 1.318 591 A CA 0.024 52.182 52.037 0.201 0.000 0.924 591 A CB -0.507 18.664 19.000 0.286 0.000 1.061 591 A HN 0.467 nan 8.150 nan 0.000 0.516 592 L N 0.076 121.350 121.223 0.085 0.000 2.131 592 L HA -0.086 4.249 4.340 -0.009 0.000 0.210 592 L C 2.211 179.164 176.870 0.137 0.000 1.092 592 L CA 2.123 56.989 54.840 0.043 0.000 0.759 592 L CB -0.482 41.435 42.059 -0.236 0.000 0.903 592 L HN 0.538 nan 8.230 nan 0.000 0.435 593 R N -0.862 119.777 120.500 0.231 0.000 2.120 593 R HA -0.163 4.172 4.340 -0.009 0.000 0.234 593 R C 1.712 178.066 176.300 0.091 0.000 1.123 593 R CA 1.642 57.867 56.100 0.208 0.000 0.975 593 R CB 0.084 30.461 30.300 0.128 0.000 0.866 593 R HN 0.377 nan 8.270 nan 0.000 0.446 594 E N -1.344 118.912 120.200 0.093 0.000 2.276 594 E HA 0.095 4.440 4.350 -0.009 0.000 0.193 594 E C 1.561 178.169 176.600 0.014 0.000 0.983 594 E CA 0.899 57.329 56.400 0.049 0.000 0.861 594 E CB 0.071 29.827 29.700 0.093 0.000 0.817 594 E HN 0.479 nan 8.360 nan 0.000 0.485 595 G N 0.735 109.558 108.800 0.039 0.000 2.408 595 G HA2 -0.096 3.859 3.960 -0.009 0.000 0.215 595 G HA3 -0.096 3.859 3.960 -0.009 0.000 0.215 595 G C 0.529 175.116 174.900 -0.520 0.000 1.156 595 G CA -0.214 44.862 45.100 -0.040 0.000 0.793 595 G HN 0.179 nan 8.290 nan 0.000 0.535 596 L N 2.414 123.411 121.223 -0.377 0.000 2.601 596 L HA 0.248 4.582 4.340 -0.009 0.000 0.277 596 L C -1.882 174.771 176.870 -0.360 0.000 1.219 596 L CA -1.421 53.148 54.840 -0.451 0.000 0.915 596 L CB 0.369 42.372 42.059 -0.093 0.000 1.160 596 L HN -0.050 nan 8.230 nan 0.000 0.494 597 P HA -0.036 nan 4.420 nan 0.000 0.266 597 P C 0.922 178.172 177.300 -0.084 0.000 1.193 597 P CA 0.027 63.020 63.100 -0.178 0.000 0.770 597 P CB 0.519 32.157 31.700 -0.104 0.000 0.836 598 L N 0.787 121.986 121.223 -0.041 0.000 2.012 598 L HA -0.143 4.192 4.340 -0.009 0.000 0.210 598 L C 1.287 178.158 176.870 0.001 0.000 1.073 598 L CA 1.421 56.256 54.840 -0.007 0.000 0.748 598 L CB -0.306 41.771 42.059 0.031 0.000 0.891 598 L HN 0.375 nan 8.230 nan 0.000 0.431 599 R N 0.869 121.375 120.500 0.009 0.000 2.347 599 R HA -0.005 4.330 4.340 -0.009 0.000 0.304 599 R C 0.975 177.279 176.300 0.006 0.000 1.072 599 R CA -0.011 56.096 56.100 0.012 0.000 0.980 599 R CB 0.901 31.215 30.300 0.023 0.000 0.986 599 R HN -0.027 nan 8.270 nan 0.000 0.448 600 K N 2.098 122.500 120.400 0.003 0.000 2.074 600 K HA -0.169 4.146 4.320 -0.009 0.000 0.209 600 K C 1.509 178.117 176.600 0.013 0.000 1.048 600 K CA 2.203 58.493 56.287 0.005 0.000 0.926 600 K CB -0.158 32.342 32.500 -0.001 0.000 0.713 600 K HN 0.602 nan 8.250 nan 0.000 0.444 601 S N -0.501 115.207 115.700 0.013 0.000 2.507 601 S HA -0.063 4.402 4.470 -0.009 0.000 0.235 601 S C 1.261 175.875 174.600 0.024 0.000 0.988 601 S CA 0.845 59.056 58.200 0.017 0.000 0.944 601 S CB -0.179 63.030 63.200 0.015 0.000 0.762 601 S HN 0.387 nan 8.310 nan 0.000 0.526 602 K N 0.178 120.594 120.400 0.026 0.000 2.374 602 K HA 0.237 4.552 4.320 -0.009 0.000 0.202 602 K C 1.824 178.454 176.600 0.051 0.000 1.040 602 K CA -0.051 56.258 56.287 0.036 0.000 1.085 602 K CB 0.200 32.721 32.500 0.035 0.000 0.873 602 K HN 0.432 nan 8.250 nan 0.000 0.539 603 Q N 0.863 120.690 119.800 0.044 0.000 2.123 603 Q HA -0.052 4.283 4.340 -0.009 0.000 0.199 603 Q C 1.461 177.525 176.000 0.106 0.000 0.966 603 Q CA 0.870 56.714 55.803 0.069 0.000 0.845 603 Q CB 0.089 28.854 28.738 0.044 0.000 0.907 603 Q HN 0.052 nan 8.270 nan 0.000 0.439 604 K N 0.939 121.380 120.400 0.069 0.000 2.097 604 K HA -0.069 4.246 4.320 -0.009 0.000 0.206 604 K C 2.013 178.646 176.600 0.056 0.000 1.049 604 K CA 1.241 57.562 56.287 0.057 0.000 0.933 604 K CB -0.428 32.094 32.500 0.036 0.000 0.717 604 K HN 0.186 nan 8.250 nan 0.000 0.442 605 A N 0.307 123.161 122.820 0.057 0.000 1.930 605 A HA -0.186 4.129 4.320 -0.009 0.000 0.217 605 A C 2.186 179.792 177.584 0.036 0.000 1.175 605 A CA 1.216 53.273 52.037 0.033 0.000 0.627 605 A CB -0.669 18.347 19.000 0.027 0.000 0.815 605 A HN 0.356 nan 8.150 nan 0.000 0.443 606 Y N 0.506 120.780 120.300 -0.043 0.000 2.163 606 Y HA -0.134 4.410 4.550 -0.009 0.000 0.288 606 Y C 1.969 177.858 175.900 -0.018 0.000 1.136 606 Y CA 1.831 59.896 58.100 -0.058 0.000 1.147 606 Y CB -0.280 38.170 38.460 -0.017 0.000 0.987 606 Y HN 0.209 nan 8.280 nan 0.000 0.509 607 L N -0.174 121.115 121.223 0.110 0.000 2.046 607 L HA -0.245 4.090 4.340 -0.009 0.000 0.208 607 L C 2.029 178.872 176.870 -0.045 0.000 1.077 607 L CA 1.586 56.438 54.840 0.020 0.000 0.747 607 L CB -0.646 41.446 42.059 0.055 0.000 0.896 607 L HN 0.184 nan 8.230 nan 0.000 0.432 608 D N -0.032 120.354 120.400 -0.024 0.000 2.149 608 D HA -0.182 4.453 4.640 -0.009 0.000 0.198 608 D C 1.822 178.108 176.300 -0.023 0.000 0.990 608 D CA 1.152 55.141 54.000 -0.018 0.000 0.839 608 D CB -0.195 40.599 40.800 -0.010 0.000 0.948 608 D HN 0.286 nan 8.370 nan 0.000 0.460 609 D N 0.026 120.367 120.400 -0.097 0.000 2.117 609 D HA -0.047 4.588 4.640 -0.009 0.000 0.198 609 D C 2.011 178.351 176.300 0.067 0.000 0.982 609 D CA 1.144 55.078 54.000 -0.109 0.000 0.828 609 D CB -0.259 40.297 40.800 -0.407 0.000 0.967 609 D HN 0.145 nan 8.370 nan 0.000 0.464 610 A N 0.677 123.507 122.820 0.016 0.000 1.898 610 A HA -0.116 4.198 4.320 -0.009 0.000 0.216 610 A C 2.527 180.124 177.584 0.021 0.000 1.181 610 A CA 1.076 53.183 52.037 0.116 0.000 0.620 610 A CB -0.729 18.245 19.000 -0.044 0.000 0.819 610 A HN 0.130 nan 8.150 nan 0.000 0.442 611 V N -0.515 119.363 119.914 -0.059 0.000 2.343 611 V HA -0.290 3.825 4.120 -0.009 0.000 0.247 611 V C 2.477 178.430 176.094 -0.235 0.000 1.051 611 V CA 2.555 64.743 62.300 -0.187 0.000 1.036 611 V CB -0.972 30.748 31.823 -0.172 0.000 0.654 611 V HN 0.834 nan 8.190 nan 0.000 0.451 612 H N 0.537 119.550 119.070 -0.096 0.000 2.353 612 H HA -0.088 4.463 4.556 -0.009 0.000 0.300 612 H C 2.146 177.502 175.328 0.046 0.000 1.090 612 H CA 1.855 57.910 56.048 0.012 0.000 1.327 612 H CB -0.222 29.568 29.762 0.046 0.000 1.383 612 H HN 0.360 nan 8.280 nan 0.000 0.508 613 A N -0.301 122.572 122.820 0.089 0.000 1.972 613 A HA -0.139 4.176 4.320 -0.009 0.000 0.219 613 A C 2.257 179.822 177.584 -0.033 0.000 1.169 613 A CA 1.325 53.389 52.037 0.044 0.000 0.635 613 A CB -1.109 17.967 19.000 0.126 0.000 0.810 613 A HN 0.564 nan 8.150 nan 0.000 0.446 614 F N 0.195 120.038 119.950 -0.179 0.000 2.186 614 F HA -0.133 4.389 4.527 -0.007 0.000 0.299 614 F C 2.224 177.954 175.800 -0.118 0.000 1.090 614 F CA 2.009 59.899 58.000 -0.183 0.000 1.307 614 F CB -0.365 38.496 39.000 -0.233 0.000 1.019 614 F HN 0.444 nan 8.300 nan 0.000 0.489 615 H N -0.645 118.400 119.070 -0.041 0.000 2.389 615 H HA -0.101 4.450 4.556 -0.008 0.000 0.299 615 H C 2.353 177.544 175.328 -0.230 0.000 1.081 615 H CA 1.478 57.444 56.048 -0.137 0.000 1.345 615 H CB -0.051 29.629 29.762 -0.137 0.000 1.393 615 H HN 0.253 nan 8.280 nan 0.000 0.520 616 I N 0.582 121.068 120.570 -0.141 0.000 2.226 616 I HA -0.254 3.910 4.170 -0.009 0.000 0.245 616 I C 2.693 178.715 176.117 -0.158 0.000 1.100 616 I CA 0.926 62.135 61.300 -0.152 0.000 1.374 616 I CB -0.215 37.705 38.000 -0.134 0.000 1.057 616 I HN 0.304 nan 8.210 nan 0.000 0.413 617 A N 0.173 122.863 122.820 -0.216 0.000 1.968 617 A HA -0.145 4.170 4.320 -0.009 0.000 0.217 617 A C 2.126 179.529 177.584 -0.302 0.000 1.169 617 A CA 2.023 53.902 52.037 -0.262 0.000 0.638 617 A CB -0.697 18.111 19.000 -0.319 0.000 0.812 617 A HN 0.502 nan 8.150 nan 0.000 0.446 618 T N -4.919 109.412 114.554 -0.372 0.000 3.132 618 T HA 0.277 4.622 4.350 -0.009 0.000 0.274 618 T C 0.871 175.465 174.700 -0.176 0.000 1.011 618 T CA 0.621 62.526 62.100 -0.325 0.000 0.899 618 T CB 0.319 68.867 68.868 -0.533 0.000 1.089 618 T HN 0.084 nan 8.240 nan 0.000 0.543 619 S N 1.049 116.668 115.700 -0.135 0.000 2.556 619 S HA 0.197 4.662 4.470 -0.009 0.000 0.216 619 S C 1.367 175.920 174.600 -0.078 0.000 0.970 619 S CA -0.299 57.846 58.200 -0.091 0.000 0.912 619 S CB 0.089 63.235 63.200 -0.091 0.000 0.790 619 S HN 0.495 nan 8.310 nan 0.000 0.504 620 S N 1.653 117.301 115.700 -0.085 0.000 2.575 620 S HA 0.217 4.682 4.470 -0.009 0.000 0.237 620 S C 0.525 175.088 174.600 -0.062 0.000 0.975 620 S CA -0.439 57.719 58.200 -0.069 0.000 0.960 620 S CB 0.143 63.299 63.200 -0.073 0.000 0.822 620 S HN 0.437 nan 8.310 nan 0.000 0.472 621 V N -0.577 119.301 119.914 -0.060 0.000 2.997 621 V HA 0.527 4.641 4.120 -0.009 0.000 0.311 621 V C -0.037 176.037 176.094 -0.032 0.000 1.066 621 V CA -1.345 60.927 62.300 -0.047 0.000 1.039 621 V CB 0.714 32.509 31.823 -0.046 0.000 1.081 621 V HN 0.055 nan 8.190 nan 0.000 0.467 622 K N 1.061 121.446 120.400 -0.025 0.000 2.219 622 K HA 0.165 4.479 4.320 -0.009 0.000 0.258 622 K C 0.579 177.171 176.600 -0.013 0.000 1.008 622 K CA -0.142 56.133 56.287 -0.019 0.000 0.928 622 K CB 0.328 32.818 32.500 -0.017 0.000 0.983 622 K HN 0.703 nan 8.250 nan 0.000 0.484 623 D N 1.897 122.290 120.400 -0.012 0.000 2.178 623 D HA -0.183 4.452 4.640 -0.009 0.000 0.201 623 D C 1.619 177.916 176.300 -0.005 0.000 0.980 623 D CA 1.419 55.414 54.000 -0.008 0.000 0.842 623 D CB 0.147 40.938 40.800 -0.015 0.000 0.948 623 D HN 0.674 nan 8.370 nan 0.000 0.472 624 E N 0.338 120.533 120.200 -0.008 0.000 2.274 624 E HA -0.067 4.278 4.350 -0.009 0.000 0.194 624 E C 0.202 176.807 176.600 0.009 0.000 0.996 624 E CA 0.544 56.940 56.400 -0.007 0.000 0.840 624 E CB -0.224 29.468 29.700 -0.014 0.000 0.772 624 E HN -0.110 nan 8.360 nan 0.000 0.491 625 T N 2.058 116.618 114.554 0.009 0.000 2.752 625 T HA 0.024 4.368 4.350 -0.009 0.000 0.295 625 T C -0.383 174.342 174.700 0.042 0.000 0.923 625 T CA -0.094 62.016 62.100 0.016 0.000 1.112 625 T CB 1.052 69.918 68.868 -0.002 0.000 0.884 625 T HN 0.197 nan 8.240 nan 0.000 0.525 626 Q N 3.653 123.494 119.800 0.069 0.000 2.288 626 Q HA 0.264 4.599 4.340 -0.009 0.000 0.258 626 Q C -0.681 175.404 176.000 0.142 0.000 0.957 626 Q CA -0.447 55.437 55.803 0.136 0.000 0.919 626 Q CB 0.366 29.226 28.738 0.204 0.000 1.185 626 Q HN 0.469 nan 8.270 nan 0.000 0.408 627 I N 4.825 125.497 120.570 0.170 0.000 2.330 627 I HA 0.255 4.420 4.170 -0.009 0.000 0.289 627 I C -0.470 175.786 176.117 0.233 0.000 1.001 627 I CA -0.476 60.915 61.300 0.152 0.000 1.193 627 I CB 0.699 38.749 38.000 0.082 0.000 1.345 627 I HN 0.700 nan 8.210 nan 0.000 0.461 628 H N 3.141 122.192 119.070 -0.032 0.000 2.573 628 H HA 0.641 5.192 4.556 -0.008 0.000 0.351 628 H C -0.096 175.233 175.328 0.002 0.000 1.163 628 H CA -0.413 55.584 56.048 -0.085 0.000 1.205 628 H CB 1.920 31.575 29.762 -0.179 0.000 1.605 628 H HN 0.450 nan 8.280 nan 0.000 0.525 629 T N 1.353 115.944 114.554 0.061 0.000 2.971 629 T HA 0.257 4.602 4.350 -0.009 0.000 0.304 629 T C -1.775 172.943 174.700 0.030 0.000 1.038 629 T CA -0.629 61.507 62.100 0.060 0.000 1.007 629 T CB 0.347 69.199 68.868 -0.027 0.000 1.055 629 T HN 0.642 nan 8.240 nan 0.000 0.451 630 H N 4.520 123.561 119.070 -0.048 0.000 2.481 630 H HA 0.690 5.242 4.556 -0.007 0.000 0.333 630 H C -0.707 174.609 175.328 -0.021 0.000 1.066 630 H CA -0.691 55.333 56.048 -0.040 0.000 1.209 630 H CB 0.785 30.529 29.762 -0.029 0.000 1.445 630 H HN 0.521 nan 8.280 nan 0.000 0.488 631 M N 5.259 124.639 119.600 -0.367 0.000 2.053 631 M HA 0.255 4.730 4.480 -0.009 0.000 0.297 631 M C -0.834 175.335 176.300 -0.218 0.000 0.921 631 M CA -0.789 54.374 55.300 -0.228 0.000 0.918 631 M CB 1.284 33.854 32.600 -0.051 0.000 1.499 631 M HN 0.546 nan 8.290 nan 0.000 0.422 632 c N 3.865 122.333 118.600 -0.220 0.000 2.663 632 c HA 0.393 4.958 4.570 -0.009 0.000 0.398 632 c C -0.157 173.995 174.090 0.104 0.000 1.356 632 c CA -0.161 56.132 56.329 -0.060 0.000 1.629 632 c CB -1.772 40.755 42.510 0.030 0.000 2.402 632 c HN 0.702 nan 8.230 nan 0.000 0.598 633 Y N 0.855 121.070 120.300 -0.143 0.000 2.764 633 Y HA 0.503 5.046 4.550 -0.013 0.000 0.331 633 Y C 0.695 176.420 175.900 -0.292 0.000 1.280 633 Y CA -0.353 57.572 58.100 -0.292 0.000 1.065 633 Y CB 1.490 39.585 38.460 -0.607 0.000 1.319 633 Y HN 0.446 nan 8.280 nan 0.000 0.453 634 S N 0.111 115.368 115.700 -0.739 0.000 2.979 634 S HA 0.338 4.803 4.470 -0.009 0.000 0.243 634 S C -0.893 173.447 174.600 -0.434 0.000 1.036 634 S CA 0.132 58.046 58.200 -0.476 0.000 0.846 634 S CB 0.047 62.989 63.200 -0.429 0.000 0.806 634 S HN 0.401 nan 8.310 nan 0.000 0.568 635 K N 1.183 121.225 120.400 -0.597 0.000 2.425 635 K HA 0.440 4.755 4.320 -0.009 0.000 0.259 635 K C -0.967 175.538 176.600 -0.158 0.000 0.978 635 K CA -0.137 55.984 56.287 -0.276 0.000 0.883 635 K CB 0.913 33.299 32.500 -0.189 0.000 1.110 635 K HN 0.168 nan 8.250 nan 0.000 0.436 636 F N 1.053 121.076 119.950 0.122 0.000 2.797 636 F HA -0.012 4.510 4.527 -0.009 0.000 0.302 636 F C 1.197 177.038 175.800 0.068 0.000 1.130 636 F CA 0.051 58.131 58.000 0.134 0.000 1.387 636 F CB -0.143 38.899 39.000 0.071 0.000 1.107 636 F HN 0.604 nan 8.300 nan 0.000 0.577 637 D N -0.278 120.231 120.400 0.181 0.000 2.149 637 D HA -0.200 4.435 4.640 -0.009 0.000 0.198 637 D C 1.516 177.869 176.300 0.090 0.000 0.990 637 D CA 1.456 55.522 54.000 0.111 0.000 0.839 637 D CB -0.412 40.427 40.800 0.065 0.000 0.948 637 D HN 0.151 nan 8.370 nan 0.000 0.460 638 E N -0.249 120.004 120.200 0.089 0.000 2.385 638 E HA 0.134 4.479 4.350 -0.009 0.000 0.194 638 E C 0.987 177.637 176.600 0.084 0.000 1.013 638 E CA 0.276 56.719 56.400 0.072 0.000 0.866 638 E CB 0.545 30.281 29.700 0.060 0.000 0.832 638 E HN 0.531 nan 8.360 nan 0.000 0.500 639 I N 0.978 121.621 120.570 0.123 0.000 3.061 639 I HA 0.137 4.302 4.170 -0.009 0.000 0.341 639 I C 0.984 177.173 176.117 0.119 0.000 1.457 639 I CA -0.167 61.197 61.300 0.106 0.000 0.921 639 I CB 0.561 38.614 38.000 0.090 0.000 1.845 639 I HN -0.114 nan 8.210 nan 0.000 0.535 640 I N 1.122 121.744 120.570 0.087 0.000 2.585 640 I HA -0.076 4.089 4.170 -0.009 0.000 0.254 640 I C 1.879 177.990 176.117 -0.009 0.000 1.129 640 I CA 1.699 63.026 61.300 0.044 0.000 1.455 640 I CB 0.035 38.058 38.000 0.038 0.000 1.111 640 I HN 0.214 nan 8.210 nan 0.000 0.433 641 D N 0.847 121.248 120.400 0.002 0.000 2.219 641 D HA -0.061 4.574 4.640 -0.009 0.000 0.205 641 D C 2.156 178.442 176.300 -0.023 0.000 0.970 641 D CA 1.251 55.245 54.000 -0.010 0.000 0.851 641 D CB -0.038 40.765 40.800 0.004 0.000 0.943 641 D HN 0.459 nan 8.370 nan 0.000 0.488 642 A N 1.077 123.883 122.820 -0.023 0.000 1.929 642 A HA -0.081 4.234 4.320 -0.009 0.000 0.216 642 A C 2.151 179.672 177.584 -0.105 0.000 1.176 642 A CA 0.497 52.504 52.037 -0.050 0.000 0.628 642 A CB -0.270 18.708 19.000 -0.037 0.000 0.816 642 A HN 0.066 nan 8.150 nan 0.000 0.444 643 I N -0.054 120.451 120.570 -0.108 0.000 2.226 643 I HA -0.177 3.987 4.170 -0.009 0.000 0.245 643 I C 2.496 178.494 176.117 -0.197 0.000 1.100 643 I CA 1.713 62.899 61.300 -0.190 0.000 1.374 643 I CB -1.162 36.707 38.000 -0.218 0.000 1.057 643 I HN 0.350 nan 8.210 nan 0.000 0.413 644 R N 2.031 122.447 120.500 -0.140 0.000 2.075 644 R HA -0.041 4.294 4.340 -0.009 0.000 0.232 644 R C 2.238 178.499 176.300 -0.065 0.000 1.126 644 R CA 1.807 57.836 56.100 -0.119 0.000 0.963 644 R CB -0.791 29.459 30.300 -0.085 0.000 0.858 644 R HN 0.278 nan 8.270 nan 0.000 0.435 645 A N 0.738 123.538 122.820 -0.035 0.000 1.978 645 A HA -0.098 4.217 4.320 -0.009 0.000 0.220 645 A C 2.214 179.867 177.584 0.115 0.000 1.170 645 A CA 1.484 53.551 52.037 0.049 0.000 0.636 645 A CB -0.645 18.375 19.000 0.034 0.000 0.810 645 A HN 0.384 nan 8.150 nan 0.000 0.448 646 L N -1.310 119.874 121.223 -0.066 0.000 2.127 646 L HA -0.194 4.141 4.340 -0.009 0.000 0.211 646 L C 1.172 178.152 176.870 0.184 0.000 1.089 646 L CA 1.247 56.020 54.840 -0.111 0.000 0.757 646 L CB -0.615 41.117 42.059 -0.544 0.000 0.899 646 L HN 0.500 nan 8.230 nan 0.000 0.434 647 D N -0.315 120.128 120.400 0.072 0.000 2.837 647 D HA -0.167 4.467 4.640 -0.009 0.000 0.230 647 D C 0.215 176.573 176.300 0.097 0.000 1.152 647 D CA 0.728 54.772 54.000 0.075 0.000 0.736 647 D CB -0.582 40.300 40.800 0.137 0.000 1.084 647 D HN 0.364 nan 8.370 nan 0.000 0.429 648 A N 0.222 123.066 122.820 0.039 0.000 2.401 648 A HA 0.296 4.611 4.320 -0.009 0.000 0.259 648 A C 1.350 178.901 177.584 -0.055 0.000 1.103 648 A CA 0.173 52.255 52.037 0.075 0.000 0.789 648 A CB 0.536 19.544 19.000 0.014 0.000 1.035 648 A HN 0.190 nan 8.150 nan 0.000 0.491 649 D N 0.393 120.813 120.400 0.033 0.000 2.182 649 D HA -0.035 4.600 4.640 -0.009 0.000 0.201 649 D C 0.306 176.514 176.300 -0.152 0.000 0.986 649 D CA 1.674 55.724 54.000 0.084 0.000 0.847 649 D CB -0.009 40.903 40.800 0.187 0.000 0.942 649 D HN 0.259 nan 8.370 nan 0.000 0.467 650 V N 0.487 120.169 119.914 -0.386 0.000 3.012 650 V HA 0.410 4.525 4.120 -0.009 0.000 0.307 650 V C -0.678 175.100 176.094 -0.527 0.000 1.166 650 V CA -0.942 60.967 62.300 -0.652 0.000 0.974 650 V CB 3.283 34.265 31.823 -1.401 0.000 1.040 650 V HN -0.075 nan 8.190 nan 0.000 0.428 651 I N 3.171 123.473 120.570 -0.447 0.000 2.497 651 I HA 0.538 4.702 4.170 -0.009 0.000 0.284 651 I C 0.047 176.019 176.117 -0.242 0.000 1.060 651 I CA -0.066 61.044 61.300 -0.316 0.000 1.071 651 I CB 1.828 39.620 38.000 -0.347 0.000 1.216 651 I HN 0.801 nan 8.210 nan 0.000 0.442 652 S N 7.995 123.646 115.700 -0.082 0.000 2.545 652 S HA 0.747 5.212 4.470 -0.009 0.000 0.275 652 S C -0.162 174.540 174.600 0.170 0.000 1.299 652 S CA -0.591 57.652 58.200 0.072 0.000 1.048 652 S CB 1.291 64.582 63.200 0.151 0.000 0.938 652 S HN 0.646 nan 8.310 nan 0.000 0.496 674 G N 4.992 113.499 108.800 -0.487 0.000 2.365 674 G HA2 0.515 4.470 3.960 -0.009 0.000 0.249 674 G HA3 0.515 4.470 3.960 -0.009 0.000 0.249 674 G C -0.282 174.390 174.900 -0.381 0.000 1.288 674 G CA 0.085 45.047 45.100 -0.231 0.000 0.887 674 G HN 1.045 nan 8.290 nan 0.000 0.524 675 I N 0.423 120.750 120.570 -0.404 0.000 2.571 675 I HA 0.678 4.843 4.170 -0.009 0.000 0.289 675 I C 0.304 176.271 176.117 -0.249 0.000 1.115 675 I CA -1.212 59.838 61.300 -0.418 0.000 1.045 675 I CB 2.067 39.762 38.000 -0.509 0.000 1.238 675 I HN 0.566 nan 8.210 nan 0.000 0.424 676 G N 6.139 114.823 108.800 -0.193 0.000 2.444 676 G HA2 0.618 4.572 3.960 -0.009 0.000 0.268 676 G HA3 0.618 4.572 3.960 -0.009 0.000 0.268 676 G C -0.740 174.221 174.900 0.102 0.000 1.203 676 G CA -0.750 44.352 45.100 0.003 0.000 0.835 676 G HN 0.630 nan 8.290 nan 0.000 0.543 677 L N 1.840 123.190 121.223 0.213 0.000 2.319 677 L HA 0.461 4.796 4.340 -0.009 0.000 0.281 677 L C 0.843 177.828 176.870 0.192 0.000 1.005 677 L CA -0.888 54.082 54.840 0.216 0.000 0.828 677 L CB 1.811 44.037 42.059 0.278 0.000 1.227 677 L HN 0.622 nan 8.230 nan 0.000 0.415 678 G N 1.848 110.754 108.800 0.178 0.000 2.370 678 G HA2 0.444 4.399 3.960 -0.009 0.000 0.272 678 G HA3 0.444 4.399 3.960 -0.009 0.000 0.272 678 G C 0.398 175.398 174.900 0.167 0.000 1.208 678 G CA -0.202 45.000 45.100 0.170 0.000 0.856 678 G HN 0.566 nan 8.290 nan 0.000 0.500 679 V N 0.192 120.215 119.914 0.182 0.000 3.157 679 V HA 0.464 4.579 4.120 -0.009 0.000 0.361 679 V C -0.601 175.635 176.094 0.238 0.000 1.421 679 V CA -0.767 61.639 62.300 0.176 0.000 1.213 679 V CB -0.993 30.917 31.823 0.146 0.000 1.164 679 V HN 0.748 nan 8.190 nan 0.000 0.559 680 Y N 0.532 120.876 120.300 0.074 0.000 2.301 680 Y HA 0.499 5.045 4.550 -0.008 0.000 0.325 680 Y C -0.808 175.125 175.900 0.056 0.000 1.103 680 Y CA -0.763 57.374 58.100 0.062 0.000 1.182 680 Y CB 1.503 40.000 38.460 0.062 0.000 1.139 680 Y HN 0.288 nan 8.280 nan 0.000 0.443 681 D N 6.713 127.211 120.400 0.163 0.000 2.346 681 D HA 0.021 4.656 4.640 -0.009 0.000 0.267 681 D C 1.055 177.195 176.300 -0.266 0.000 1.320 681 D CA 0.218 54.215 54.000 -0.006 0.000 0.951 681 D CB 0.667 41.526 40.800 0.098 0.000 1.079 681 D HN 0.746 nan 8.370 nan 0.000 0.509 682 I N 1.089 121.352 120.570 -0.512 0.000 3.291 682 I HA -0.029 4.136 4.170 -0.009 0.000 0.279 682 I C 1.028 176.911 176.117 -0.390 0.000 1.294 682 I CA 0.744 61.667 61.300 -0.628 0.000 1.428 682 I CB -0.653 36.969 38.000 -0.629 0.000 1.070 682 I HN 0.240 nan 8.210 nan 0.000 0.478 683 H N 1.104 120.116 119.070 -0.096 0.000 2.555 683 H HA 0.388 4.939 4.556 -0.008 0.000 0.283 683 H C 0.084 175.401 175.328 -0.017 0.000 1.037 683 H CA 0.318 56.340 56.048 -0.043 0.000 1.169 683 H CB -0.106 29.635 29.762 -0.034 0.000 1.375 683 H HN 0.509 nan 8.280 nan 0.000 0.582 684 S N -0.817 114.922 115.700 0.064 0.000 2.546 684 S HA 0.199 4.664 4.470 -0.009 0.000 0.272 684 S C -2.492 172.163 174.600 0.091 0.000 1.140 684 S CA -1.527 56.720 58.200 0.078 0.000 0.920 684 S CB 2.733 65.984 63.200 0.085 0.000 1.083 684 S HN -0.100 nan 8.310 nan 0.000 0.476 685 P HA -0.039 nan 4.420 nan 0.000 0.244 685 P C 0.180 177.545 177.300 0.108 0.000 1.211 685 P CA 0.084 63.241 63.100 0.096 0.000 0.760 685 P CB 0.021 31.762 31.700 0.069 0.000 0.961 686 R N 0.848 121.419 120.500 0.118 0.000 2.438 686 R HA 0.302 4.637 4.340 -0.009 0.000 0.287 686 R C -0.818 175.565 176.300 0.139 0.000 1.077 686 R CA -0.358 55.807 56.100 0.109 0.000 1.034 686 R CB 0.799 31.156 30.300 0.095 0.000 0.993 686 R HN -0.124 nan 8.270 nan 0.000 0.459 687 V N 7.699 127.657 119.914 0.073 0.000 2.350 687 V HA 0.403 4.518 4.120 -0.009 0.000 0.276 687 V C -1.852 174.236 176.094 -0.010 0.000 1.028 687 V CA -2.032 60.276 62.300 0.012 0.000 0.860 687 V CB 1.312 33.130 31.823 -0.009 0.000 0.990 687 V HN 0.876 nan 8.190 nan 0.000 0.453 688 P HA 0.286 nan 4.420 nan 0.000 0.273 688 P C -0.440 176.837 177.300 -0.038 0.000 1.250 688 P CA -0.019 63.068 63.100 -0.022 0.000 0.793 688 P CB 0.718 32.406 31.700 -0.021 0.000 1.011 689 T N -3.269 111.275 114.554 -0.016 0.000 2.940 689 T HA 0.321 4.666 4.350 -0.009 0.000 0.288 689 T C 1.128 175.820 174.700 -0.014 0.000 1.033 689 T CA -0.924 61.166 62.100 -0.017 0.000 1.033 689 T CB 1.632 70.497 68.868 -0.006 0.000 1.079 689 T HN 0.250 nan 8.240 nan 0.000 0.496 690 K N 0.664 121.054 120.400 -0.016 0.000 2.074 690 K HA -0.157 4.158 4.320 -0.009 0.000 0.209 690 K C 2.071 178.670 176.600 -0.002 0.000 1.048 690 K CA 1.878 58.158 56.287 -0.011 0.000 0.926 690 K CB -0.089 32.404 32.500 -0.011 0.000 0.713 690 K HN 0.730 nan 8.250 nan 0.000 0.444 691 E N 0.483 120.682 120.200 -0.001 0.000 2.153 691 E HA -0.177 4.168 4.350 -0.009 0.000 0.194 691 E C 1.909 178.515 176.600 0.009 0.000 0.988 691 E CA 0.835 57.237 56.400 0.003 0.000 0.811 691 E CB 0.074 29.775 29.700 0.002 0.000 0.746 691 E HN 0.293 nan 8.360 nan 0.000 0.466 692 E N 0.536 120.743 120.200 0.012 0.000 2.051 692 E HA -0.110 4.235 4.350 -0.009 0.000 0.189 692 E C 2.569 179.187 176.600 0.029 0.000 0.979 692 E CA 1.243 57.656 56.400 0.022 0.000 0.803 692 E CB -0.419 29.297 29.700 0.027 0.000 0.761 692 E HN 0.289 nan 8.360 nan 0.000 0.451 693 V N -0.070 119.860 119.914 0.027 0.000 2.490 693 V HA -0.139 3.975 4.120 -0.009 0.000 0.250 693 V C 2.423 178.537 176.094 0.033 0.000 1.061 693 V CA 1.663 63.985 62.300 0.037 0.000 1.064 693 V CB -1.096 30.741 31.823 0.024 0.000 0.670 693 V HN 0.079 nan 8.190 nan 0.000 0.461 694 V N 0.902 120.827 119.914 0.019 0.000 2.515 694 V HA -0.061 4.054 4.120 -0.009 0.000 0.250 694 V C 2.747 178.849 176.094 0.012 0.000 1.058 694 V CA 2.171 64.479 62.300 0.013 0.000 1.064 694 V CB -0.453 31.372 31.823 0.004 0.000 0.675 694 V HN 0.653 nan 8.190 nan 0.000 0.461 695 A N 0.049 122.879 122.820 0.017 0.000 1.897 695 A HA -0.193 4.122 4.320 -0.009 0.000 0.215 695 A C 1.954 179.553 177.584 0.025 0.000 1.181 695 A CA 1.901 53.947 52.037 0.016 0.000 0.620 695 A CB -0.883 18.128 19.000 0.019 0.000 0.821 695 A HN 0.722 nan 8.150 nan 0.000 0.443 696 N N -0.278 118.446 118.700 0.040 0.000 2.104 696 N HA -0.151 4.583 4.740 -0.009 0.000 0.190 696 N C 1.783 177.328 175.510 0.058 0.000 1.024 696 N CA 1.498 54.582 53.050 0.058 0.000 0.853 696 N CB -0.281 38.252 38.487 0.078 0.000 1.008 696 N HN 0.627 nan 8.380 nan 0.000 0.424 697 I N 0.855 121.453 120.570 0.047 0.000 2.439 697 I HA -0.171 3.994 4.170 -0.009 0.000 0.251 697 I C 2.203 178.307 176.117 -0.022 0.000 1.139 697 I CA 1.334 62.656 61.300 0.036 0.000 1.438 697 I CB 0.078 38.100 38.000 0.038 0.000 1.085 697 I HN 0.150 nan 8.210 nan 0.000 0.427 698 E N 0.666 120.852 120.200 -0.024 0.000 2.152 698 E HA -0.275 4.070 4.350 -0.009 0.000 0.192 698 E C 2.215 178.782 176.600 -0.056 0.000 0.983 698 E CA 0.518 56.886 56.400 -0.053 0.000 0.818 698 E CB 0.002 29.683 29.700 -0.033 0.000 0.758 698 E HN 0.284 nan 8.360 nan 0.000 0.467 699 R N 1.256 121.744 120.500 -0.020 0.000 2.112 699 R HA -0.135 4.200 4.340 -0.009 0.000 0.242 699 R C -0.798 175.493 176.300 -0.015 0.000 1.137 699 R CA 2.435 58.532 56.100 -0.005 0.000 0.944 699 R CB -1.478 28.836 30.300 0.023 0.000 0.857 699 R HN 0.275 nan 8.270 nan 0.000 0.435 700 P HA -0.111 nan 4.420 nan 0.000 0.223 700 P C 0.837 178.022 177.300 -0.191 0.000 1.151 700 P CA 1.171 64.277 63.100 0.011 0.000 0.787 700 P CB -0.056 31.743 31.700 0.165 0.000 0.788 701 L N -0.346 120.673 121.223 -0.339 0.000 2.610 701 L HA 0.057 4.392 4.340 -0.009 0.000 0.232 701 L C 2.671 179.431 176.870 -0.183 0.000 1.149 701 L CA 0.238 54.823 54.840 -0.426 0.000 0.872 701 L CB -0.664 41.175 42.059 -0.367 0.000 0.992 701 L HN -0.031 nan 8.230 nan 0.000 0.447 702 R N 0.263 120.704 120.500 -0.099 0.000 2.189 702 R HA -0.114 4.221 4.340 -0.009 0.000 0.218 702 R C 1.571 177.864 176.300 -0.012 0.000 1.074 702 R CA 1.323 57.399 56.100 -0.041 0.000 0.991 702 R CB 0.040 30.330 30.300 -0.017 0.000 0.883 702 R HN 0.435 nan 8.270 nan 0.000 0.457 703 Q N -0.609 119.195 119.800 0.007 0.000 2.505 703 Q HA 0.284 4.619 4.340 -0.009 0.000 0.184 703 Q C -0.313 175.730 176.000 0.072 0.000 0.878 703 Q CA -0.566 55.264 55.803 0.045 0.000 0.811 703 Q CB -0.068 28.713 28.738 0.072 0.000 1.118 703 Q HN 0.035 nan 8.270 nan 0.000 0.605 704 L N 2.240 123.551 121.223 0.148 0.000 2.482 704 L HA 0.021 4.356 4.340 -0.009 0.000 0.273 704 L C 0.245 177.243 176.870 0.213 0.000 1.228 704 L CA 0.260 55.228 54.840 0.213 0.000 0.827 704 L CB 0.067 42.326 42.059 0.333 0.000 1.099 704 L HN 0.281 nan 8.230 nan 0.000 0.494 705 S N 1.047 116.872 115.700 0.207 0.000 2.515 705 S HA 0.126 4.591 4.470 -0.009 0.000 0.285 705 S C -1.834 172.920 174.600 0.258 0.000 1.265 705 S CA -0.905 57.397 58.200 0.171 0.000 1.079 705 S CB 0.193 63.480 63.200 0.145 0.000 0.877 705 S HN 0.501 nan 8.310 nan 0.000 0.493 706 P HA -0.079 nan 4.420 nan 0.000 0.227 706 P C 1.169 178.607 177.300 0.230 0.000 1.145 706 P CA 1.106 64.240 63.100 0.057 0.000 0.769 706 P CB -0.360 31.314 31.700 -0.044 0.000 0.769 707 T N -5.112 109.578 114.554 0.226 0.000 3.272 707 T HA 0.094 4.438 4.350 -0.009 0.000 0.250 707 T C 1.093 175.950 174.700 0.262 0.000 1.082 707 T CA 0.237 62.454 62.100 0.195 0.000 0.968 707 T CB -0.515 68.431 68.868 0.130 0.000 1.015 707 T HN 0.209 nan 8.240 nan 0.000 0.563 708 Q N -0.483 119.550 119.800 0.388 0.000 2.164 708 Q HA 0.342 4.677 4.340 -0.009 0.000 0.226 708 Q C -0.832 175.247 176.000 0.131 0.000 0.813 708 Q CA -0.270 55.668 55.803 0.225 0.000 0.978 708 Q CB 0.743 29.498 28.738 0.029 0.000 1.149 708 Q HN 0.497 nan 8.270 nan 0.000 0.489 709 F N -0.612 119.466 119.950 0.212 0.000 2.440 709 F HA 0.523 5.045 4.527 -0.009 0.000 0.328 709 F C -0.201 175.815 175.800 0.360 0.000 1.070 709 F CA -0.929 57.228 58.000 0.263 0.000 1.011 709 F CB 0.806 39.893 39.000 0.145 0.000 1.226 709 F HN -0.098 nan 8.300 nan 0.000 0.491 710 W N -0.130 121.296 121.300 0.211 0.000 3.017 710 W HA 0.789 5.444 4.660 -0.008 0.000 0.341 710 W C -1.460 175.152 176.519 0.155 0.000 1.180 710 W CA -1.029 56.407 57.345 0.151 0.000 1.097 710 W CB 1.195 30.722 29.460 0.111 0.000 1.468 710 W HN 0.143 nan 8.180 nan 0.000 0.584 711 V N 2.937 123.071 119.914 0.367 0.000 2.638 711 V HA 0.581 4.696 4.120 -0.009 0.000 0.306 711 V C -0.448 175.793 176.094 0.246 0.000 1.052 711 V CA -0.923 61.530 62.300 0.256 0.000 0.885 711 V CB 1.459 33.385 31.823 0.171 0.000 0.999 711 V HN 0.659 nan 8.190 nan 0.000 0.424 712 N N 3.501 122.328 118.700 0.212 0.000 3.185 712 N HA 0.452 5.187 4.740 -0.009 0.000 0.238 712 N C -3.488 172.128 175.510 0.176 0.000 1.451 712 N CA -1.308 51.853 53.050 0.185 0.000 0.888 712 N CB 2.582 41.159 38.487 0.150 0.000 1.413 712 N HN 0.336 nan 8.380 nan 0.000 0.511 713 P HA 0.182 nan 4.420 nan 0.000 0.276 713 P C -0.560 176.764 177.300 0.041 0.000 1.261 713 P CA -0.022 63.169 63.100 0.152 0.000 0.800 713 P CB 0.958 32.745 31.700 0.146 0.000 1.066 714 D N -0.298 120.106 120.400 0.006 0.000 2.169 714 D HA -0.026 4.609 4.640 -0.009 0.000 0.253 714 D C 0.130 176.457 176.300 0.045 0.000 1.257 714 D CA 0.156 54.194 54.000 0.063 0.000 0.976 714 D CB -0.220 40.615 40.800 0.059 0.000 1.195 714 D HN 0.309 nan 8.370 nan 0.000 0.534 715 c N 1.187 119.898 118.600 0.186 0.000 2.665 715 c HA 0.408 4.973 4.570 -0.009 0.000 0.397 715 c C 1.208 175.296 174.090 -0.004 0.000 1.395 715 c CA 1.002 57.491 56.329 0.266 0.000 1.462 715 c CB -1.880 40.817 42.510 0.311 0.000 2.323 715 c HN 0.660 nan 8.230 nan 0.000 0.617 716 G N 3.202 111.952 108.800 -0.084 0.000 2.741 716 G HA2 -0.141 3.814 3.960 -0.009 0.000 0.222 716 G HA3 -0.141 3.814 3.960 -0.009 0.000 0.222 716 G C -0.104 174.670 174.900 -0.210 0.000 1.364 716 G CA 0.091 45.098 45.100 -0.155 0.000 0.866 716 G HN 1.194 nan 8.290 nan 0.000 0.555 717 L N -1.722 119.386 121.223 -0.192 0.000 4.914 717 L HA 0.338 4.673 4.340 -0.009 0.000 0.494 717 L C 1.794 178.614 176.870 -0.085 0.000 0.929 717 L CA 0.869 55.623 54.840 -0.142 0.000 1.912 717 L CB -0.292 41.725 42.059 -0.070 0.000 1.710 717 L HN 0.690 nan 8.230 nan 0.000 0.601 718 K N 0.129 120.461 120.400 -0.113 0.000 2.280 718 K HA -0.093 4.221 4.320 -0.009 0.000 0.202 718 K C 1.307 177.904 176.600 -0.005 0.000 1.047 718 K CA 1.854 58.098 56.287 -0.072 0.000 0.942 718 K CB 0.086 32.536 32.500 -0.084 0.000 0.739 718 K HN 0.518 nan 8.250 nan 0.000 0.457 719 T N -1.975 112.574 114.554 -0.007 0.000 3.163 719 T HA 0.196 4.541 4.350 -0.009 0.000 0.252 719 T C 0.464 175.184 174.700 0.033 0.000 1.056 719 T CA -0.529 61.587 62.100 0.026 0.000 0.947 719 T CB 0.137 69.028 68.868 0.039 0.000 1.016 719 T HN -0.061 nan 8.240 nan 0.000 0.554 720 R N 0.765 121.286 120.500 0.036 0.000 2.700 720 R HA 0.670 5.005 4.340 -0.009 0.000 0.253 720 R C -0.575 175.793 176.300 0.114 0.000 1.091 720 R CA -0.752 55.390 56.100 0.070 0.000 1.104 720 R CB 0.788 31.135 30.300 0.078 0.000 1.202 720 R HN 0.166 nan 8.270 nan 0.000 0.532 721 Q N 0.109 119.990 119.800 0.135 0.000 2.245 721 Q HA 0.176 4.511 4.340 -0.009 0.000 0.256 721 Q C 0.293 176.409 176.000 0.194 0.000 0.942 721 Q CA 0.053 55.944 55.803 0.147 0.000 0.896 721 Q CB 1.651 30.456 28.738 0.113 0.000 1.272 721 Q HN 0.673 nan 8.270 nan 0.000 0.442 722 E N 3.426 123.766 120.200 0.232 0.000 2.033 722 E HA -0.207 4.138 4.350 -0.009 0.000 0.199 722 E C -1.060 175.635 176.600 0.158 0.000 1.011 722 E CA 1.882 58.452 56.400 0.284 0.000 0.815 722 E CB -0.412 29.447 29.700 0.265 0.000 0.755 722 E HN 0.588 nan 8.360 nan 0.000 0.451 723 P HA -0.192 nan 4.420 nan 0.000 0.214 723 P C 0.688 178.027 177.300 0.065 0.000 1.163 723 P CA 1.856 64.986 63.100 0.050 0.000 0.889 723 P CB -0.053 31.671 31.700 0.039 0.000 0.790 724 E N -1.218 119.037 120.200 0.092 0.000 2.077 724 E HA -0.139 4.206 4.350 -0.009 0.000 0.193 724 E C 1.957 178.641 176.600 0.139 0.000 0.989 724 E CA 1.567 58.029 56.400 0.103 0.000 0.800 724 E CB -0.705 29.071 29.700 0.126 0.000 0.746 724 E HN 0.263 nan 8.360 nan 0.000 0.452 725 T N 1.628 116.303 114.554 0.202 0.000 2.674 725 T HA -0.153 4.192 4.350 -0.009 0.000 0.265 725 T C 1.986 176.798 174.700 0.186 0.000 1.039 725 T CA 1.057 63.325 62.100 0.280 0.000 1.150 725 T CB -0.263 68.808 68.868 0.338 0.000 0.864 725 T HN 0.188 nan 8.240 nan 0.000 0.427 726 I N 0.908 121.557 120.570 0.132 0.000 2.179 726 I HA -0.192 3.973 4.170 -0.009 0.000 0.242 726 I C 2.600 178.718 176.117 0.003 0.000 1.088 726 I CA 1.485 62.813 61.300 0.047 0.000 1.357 726 I CB -0.385 37.593 38.000 -0.035 0.000 1.051 726 I HN 0.239 nan 8.210 nan 0.000 0.409 727 A N 0.708 123.525 122.820 -0.005 0.000 1.933 727 A HA -0.160 4.155 4.320 -0.009 0.000 0.218 727 A C 2.445 179.982 177.584 -0.079 0.000 1.175 727 A CA 1.793 53.809 52.037 -0.034 0.000 0.628 727 A CB -1.010 17.977 19.000 -0.022 0.000 0.814 727 A HN 0.601 nan 8.150 nan 0.000 0.444 728 A N -0.465 122.280 122.820 -0.125 0.000 1.929 728 A HA 0.068 4.383 4.320 -0.009 0.000 0.216 728 A C 2.107 179.499 177.584 -0.319 0.000 1.176 728 A CA 1.288 53.113 52.037 -0.352 0.000 0.628 728 A CB -0.488 18.080 19.000 -0.719 0.000 0.816 728 A HN 0.461 nan 8.150 nan 0.000 0.444 729 L N -0.741 120.410 121.223 -0.120 0.000 2.156 729 L HA -0.133 4.202 4.340 -0.009 0.000 0.208 729 L C 2.542 179.401 176.870 -0.018 0.000 1.095 729 L CA 1.591 56.425 54.840 -0.010 0.000 0.770 729 L CB -0.351 41.773 42.059 0.108 0.000 0.914 729 L HN 0.464 nan 8.230 nan 0.000 0.439 730 K N 0.217 120.596 120.400 -0.036 0.000 2.057 730 K HA -0.190 4.125 4.320 -0.009 0.000 0.207 730 K C 2.085 178.664 176.600 -0.036 0.000 1.049 730 K CA 1.469 57.738 56.287 -0.030 0.000 0.931 730 K CB -0.102 32.377 32.500 -0.035 0.000 0.714 730 K HN 0.137 nan 8.250 nan 0.000 0.440 731 V N 1.526 121.403 119.914 -0.063 0.000 2.515 731 V HA -0.163 3.952 4.120 -0.009 0.000 0.250 731 V C 1.960 178.030 176.094 -0.041 0.000 1.058 731 V CA 1.452 63.718 62.300 -0.057 0.000 1.064 731 V CB -0.201 31.574 31.823 -0.079 0.000 0.675 731 V HN 0.459 nan 8.190 nan 0.000 0.461 732 L N -0.597 120.598 121.223 -0.046 0.000 2.027 732 L HA -0.098 4.237 4.340 -0.009 0.000 0.206 732 L C 2.416 179.298 176.870 0.021 0.000 1.074 732 L CA 2.194 57.033 54.840 -0.001 0.000 0.745 732 L CB -0.194 41.880 42.059 0.025 0.000 0.898 732 L HN 0.250 nan 8.230 nan 0.000 0.433 733 V N 0.281 120.206 119.914 0.018 0.000 2.307 733 V HA -0.269 3.846 4.120 -0.009 0.000 0.245 733 V C 2.832 178.930 176.094 0.008 0.000 1.045 733 V CA 1.703 64.016 62.300 0.020 0.000 1.024 733 V CB -1.152 30.682 31.823 0.018 0.000 0.651 733 V HN 0.594 nan 8.190 nan 0.000 0.449 734 A N 0.017 122.836 122.820 -0.002 0.000 1.933 734 A HA -0.112 4.203 4.320 -0.009 0.000 0.218 734 A C 2.402 179.984 177.584 -0.004 0.000 1.175 734 A CA 2.112 54.146 52.037 -0.006 0.000 0.628 734 A CB -0.747 18.246 19.000 -0.012 0.000 0.814 734 A HN 0.575 nan 8.150 nan 0.000 0.444 735 A N -1.073 121.746 122.820 -0.001 0.000 1.930 735 A HA -0.043 4.272 4.320 -0.009 0.000 0.217 735 A C 2.294 179.883 177.584 0.007 0.000 1.175 735 A CA 2.200 54.238 52.037 0.002 0.000 0.627 735 A CB -1.078 17.926 19.000 0.006 0.000 0.815 735 A HN 0.434 nan 8.150 nan 0.000 0.443 736 T N -0.535 114.027 114.554 0.013 0.000 2.770 736 T HA -0.081 4.264 4.350 -0.009 0.000 0.263 736 T C 1.961 176.662 174.700 0.002 0.000 1.039 736 T CA 1.493 63.602 62.100 0.015 0.000 1.142 736 T CB -0.144 68.740 68.868 0.027 0.000 0.868 736 T HN 0.508 nan 8.240 nan 0.000 0.435 737 K N 0.835 121.235 120.400 -0.001 0.000 2.209 737 K HA -0.117 4.198 4.320 -0.009 0.000 0.204 737 K C 2.340 178.935 176.600 -0.009 0.000 1.048 737 K CA 1.115 57.398 56.287 -0.007 0.000 0.940 737 K CB 0.015 32.511 32.500 -0.007 0.000 0.729 737 K HN 0.433 nan 8.250 nan 0.000 0.451 738 E N -0.171 120.025 120.200 -0.007 0.000 2.076 738 E HA -0.117 4.228 4.350 -0.009 0.000 0.190 738 E C 1.664 178.258 176.600 -0.011 0.000 0.979 738 E CA 0.787 57.182 56.400 -0.008 0.000 0.807 738 E CB 0.288 29.984 29.700 -0.007 0.000 0.761 738 E HN 0.066 nan 8.360 nan 0.000 0.454 739 V N 1.315 121.223 119.914 -0.010 0.000 2.515 739 V HA -0.197 3.918 4.120 -0.009 0.000 0.250 739 V C 2.331 178.413 176.094 -0.020 0.000 1.058 739 V CA 1.689 63.979 62.300 -0.017 0.000 1.064 739 V CB -0.528 31.285 31.823 -0.018 0.000 0.675 739 V HN 0.226 nan 8.190 nan 0.000 0.461 740 R N -0.046 120.444 120.500 -0.017 0.000 2.073 740 R HA -0.223 4.112 4.340 -0.009 0.000 0.234 740 R C 2.423 178.713 176.300 -0.017 0.000 1.134 740 R CA 1.773 57.862 56.100 -0.018 0.000 0.952 740 R CB -0.410 29.879 30.300 -0.018 0.000 0.850 740 R HN 0.468 nan 8.270 nan 0.000 0.433 741 Q N 1.582 121.373 119.800 -0.015 0.000 2.045 741 Q HA -0.143 4.192 4.340 -0.009 0.000 0.206 741 Q C 0.135 176.127 176.000 -0.013 0.000 0.991 741 Q CA 1.662 57.457 55.803 -0.013 0.000 0.851 741 Q CB -0.051 28.680 28.738 -0.012 0.000 0.911 741 Q HN -0.063 nan 8.270 nan 0.000 0.418 742 K N 0.000 120.391 120.400 -0.015 0.000 2.780 742 K HA 0.000 4.315 4.320 -0.009 0.000 0.191 742 K CA 0.000 56.278 56.287 -0.016 0.000 0.838 742 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 742 K HN 0.000 nan 8.250 nan 0.000 0.543