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 2ceq_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NVEWSRIFPN PLPRPQNFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFILNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYI AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITR DATA SEQUENCE GNEKIVRDDL KGRLDWIGVN YYTRTVVKRT EKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSAL VYREIATNGA ITDEIEHLNS VPPVKPLRH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.959 176.300 -0.568 0.000 1.140 1 M CA 0.000 55.134 55.300 -0.276 0.000 0.988 1 M CB 0.000 32.516 32.600 -0.140 0.000 1.302 2 Y N 1.846 122.048 120.300 -0.164 0.000 2.464 2 Y HA 0.529 5.079 4.550 -0.000 0.000 0.326 2 Y C -0.053 175.661 175.900 -0.310 0.000 0.969 2 Y CA -0.450 57.356 58.100 -0.490 0.000 1.270 2 Y CB 1.988 40.023 38.460 -0.708 0.000 1.103 2 Y HN 0.526 nan 8.280 nan 0.000 0.491 3 S N 3.594 119.281 115.700 -0.021 0.000 2.554 3 S HA 0.549 5.019 4.470 -0.000 0.000 0.278 3 S C -0.618 174.048 174.600 0.110 0.000 1.242 3 S CA -0.520 57.763 58.200 0.138 0.000 1.051 3 S CB 0.445 63.705 63.200 0.100 0.000 0.986 3 S HN 0.391 nan 8.310 nan 0.000 0.502 4 F N 2.382 122.429 119.950 0.161 0.000 2.440 4 F HA 0.456 4.983 4.527 -0.000 0.000 0.328 4 F C -1.777 174.034 175.800 0.019 0.000 1.070 4 F CA -2.069 55.927 58.000 -0.007 0.000 1.011 4 F CB 0.345 39.227 39.000 -0.196 0.000 1.226 4 F HN 0.345 nan 8.300 nan 0.000 0.491 5 P HA 0.034 nan 4.420 nan 0.000 0.268 5 P C 0.027 177.431 177.300 0.173 0.000 1.208 5 P CA 0.097 63.265 63.100 0.113 0.000 0.777 5 P CB 0.542 32.295 31.700 0.088 0.000 0.875 6 N N -0.167 118.600 118.700 0.112 0.000 2.272 6 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 6 N C 1.194 176.761 175.510 0.095 0.000 1.014 6 N CA 1.281 54.394 53.050 0.105 0.000 0.870 6 N CB -0.484 38.043 38.487 0.066 0.000 0.975 6 N HN 0.273 nan 8.380 nan 0.000 0.433 7 S N -0.417 115.326 115.700 0.071 0.000 2.548 7 S HA 0.138 4.608 4.470 -0.000 0.000 0.215 7 S C 0.260 174.860 174.600 0.001 0.000 0.976 7 S CA -0.519 57.686 58.200 0.009 0.000 0.908 7 S CB -0.061 63.112 63.200 -0.045 0.000 0.781 7 S HN 0.268 nan 8.310 nan 0.000 0.519 8 F N 3.630 123.541 119.950 -0.064 0.000 2.529 8 F HA 0.229 4.756 4.527 -0.000 0.000 0.365 8 F C 0.632 176.327 175.800 -0.175 0.000 1.102 8 F CA -0.108 57.815 58.000 -0.128 0.000 1.271 8 F CB 0.455 39.423 39.000 -0.053 0.000 1.120 8 F HN -0.102 nan 8.300 nan 0.000 0.579 9 R N 5.751 125.873 120.500 -0.630 0.000 2.562 9 R HA 0.391 4.731 4.340 -0.000 0.000 0.298 9 R C -1.619 174.398 176.300 -0.473 0.000 0.961 9 R CA -0.866 55.018 56.100 -0.360 0.000 0.881 9 R CB 1.577 31.706 30.300 -0.285 0.000 1.159 9 R HN 0.475 nan 8.270 nan 0.000 0.450 10 F N 0.563 120.537 119.950 0.041 0.000 2.421 10 F HA 0.625 5.152 4.527 -0.000 0.000 0.337 10 F C 1.056 176.954 175.800 0.163 0.000 1.105 10 F CA 0.117 58.219 58.000 0.170 0.000 1.049 10 F CB 2.061 41.125 39.000 0.107 0.000 1.139 10 F HN 0.689 nan 8.300 nan 0.000 0.479 11 G N 1.776 110.874 108.800 0.497 0.000 2.726 11 G HA2 0.467 4.427 3.960 -0.000 0.000 0.198 11 G HA3 0.467 4.427 3.960 -0.000 0.000 0.198 11 G C -2.252 173.039 174.900 0.652 0.000 1.195 11 G CA -0.553 44.839 45.100 0.488 0.000 0.951 11 G HN 0.742 nan 8.290 nan 0.000 0.532 12 W N -0.301 121.117 121.300 0.196 0.000 3.075 12 W HA 0.832 5.492 4.660 -0.000 0.000 0.334 12 W C -1.037 175.541 176.519 0.098 0.000 1.243 12 W CA -0.910 56.531 57.345 0.160 0.000 1.170 12 W CB 1.330 30.872 29.460 0.137 0.000 1.452 12 W HN 0.582 nan 8.180 nan 0.000 0.572 13 S N 1.632 117.385 115.700 0.088 0.000 2.566 13 S HA 0.660 5.130 4.470 -0.000 0.000 0.298 13 S C -0.966 173.603 174.600 -0.051 0.000 1.083 13 S CA -0.853 57.349 58.200 0.004 0.000 0.978 13 S CB 1.793 65.196 63.200 0.339 0.000 1.073 13 S HN 0.563 nan 8.310 nan 0.000 0.491 14 Q N 0.407 120.176 119.800 -0.052 0.000 2.630 14 Q HA 0.819 5.159 4.340 -0.000 0.000 0.295 14 Q C -1.826 174.214 176.000 0.067 0.000 0.944 14 Q CA -1.282 54.400 55.803 -0.201 0.000 0.766 14 Q CB 1.509 30.161 28.738 -0.143 0.000 1.471 14 Q HN 0.655 nan 8.270 nan 0.000 0.416 15 A N 0.128 122.965 122.820 0.028 0.000 2.356 15 A HA 0.754 5.074 4.320 -0.000 0.000 0.323 15 A C 0.716 178.325 177.584 0.043 0.000 1.119 15 A CA -0.109 51.872 52.037 -0.094 0.000 0.790 15 A CB 1.208 19.873 19.000 -0.558 0.000 1.273 15 A HN 0.957 nan 8.150 nan 0.000 0.452 16 G N 0.111 109.017 108.800 0.177 0.000 2.480 16 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 16 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 16 G C 1.262 176.294 174.900 0.219 0.000 1.200 16 G CA 1.520 46.800 45.100 0.300 0.000 0.782 16 G HN 0.774 nan 8.290 nan 0.000 0.554 17 F N 1.431 121.409 119.950 0.047 0.000 2.216 17 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 17 F C 2.904 178.600 175.800 -0.173 0.000 1.085 17 F CA 1.769 59.752 58.000 -0.029 0.000 1.326 17 F CB -0.029 38.975 39.000 0.008 0.000 1.027 17 F HN 0.210 nan 8.300 nan 0.000 0.497 18 Q N -1.221 118.429 119.800 -0.250 0.000 2.187 18 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 18 Q C 1.919 177.868 176.000 -0.084 0.000 0.957 18 Q CA 1.496 57.114 55.803 -0.308 0.000 0.857 18 Q CB 0.041 28.603 28.738 -0.293 0.000 0.929 18 Q HN 0.286 nan 8.270 nan 0.000 0.453 19 S N -0.382 115.309 115.700 -0.015 0.000 2.554 19 S HA 0.064 4.534 4.470 -0.000 0.000 0.227 19 S C 1.254 175.941 174.600 0.145 0.000 1.050 19 S CA -0.208 58.045 58.200 0.088 0.000 0.927 19 S CB 0.484 63.694 63.200 0.016 0.000 0.859 19 S HN 0.246 nan 8.310 nan 0.000 0.494 20 E N 1.204 121.490 120.200 0.144 0.000 2.046 20 E HA 0.064 4.414 4.350 -0.000 0.000 0.190 20 E C 0.353 177.040 176.600 0.145 0.000 0.982 20 E CA 0.719 57.264 56.400 0.243 0.000 0.800 20 E CB 0.013 29.857 29.700 0.241 0.000 0.756 20 E HN 0.425 nan 8.360 nan 0.000 0.449 21 M N -0.834 118.776 119.600 0.015 0.000 2.228 21 M HA 0.199 4.679 4.480 -0.000 0.000 0.326 21 M C 0.904 177.238 176.300 0.056 0.000 1.122 21 M CA 0.909 56.199 55.300 -0.017 0.000 1.161 21 M CB 1.259 33.802 32.600 -0.094 0.000 1.437 21 M HN 0.339 nan 8.290 nan 0.000 0.465 22 G N 0.041 108.874 108.800 0.055 0.000 2.901 22 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.194 22 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.194 22 G C 0.012 174.958 174.900 0.076 0.000 1.020 22 G CA -0.103 45.042 45.100 0.075 0.000 0.787 22 G HN 0.747 nan 8.290 nan 0.000 0.477 23 T N 1.748 116.357 114.554 0.092 0.000 2.749 23 T HA 0.600 4.950 4.350 -0.000 0.000 0.295 23 T C -2.593 172.150 174.700 0.072 0.000 0.936 23 T CA -1.650 60.504 62.100 0.089 0.000 1.060 23 T CB 1.821 70.761 68.868 0.119 0.000 0.904 23 T HN 0.071 nan 8.240 nan 0.000 0.500 24 P HA 0.193 nan 4.420 nan 0.000 0.261 24 P C 1.231 178.564 177.300 0.055 0.000 1.165 24 P CA 1.260 64.385 63.100 0.042 0.000 0.759 24 P CB 0.056 31.777 31.700 0.035 0.000 0.772 25 G N 2.238 111.058 108.800 0.034 0.000 2.232 25 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.226 25 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.226 25 G C 0.969 175.857 174.900 -0.021 0.000 0.996 25 G CA 0.382 45.508 45.100 0.044 0.000 0.626 25 G HN 0.627 nan 8.290 nan 0.000 0.509 26 S N -0.164 115.483 115.700 -0.088 0.000 2.535 26 S HA 0.396 4.866 4.470 -0.000 0.000 0.214 26 S C 0.549 174.886 174.600 -0.439 0.000 0.980 26 S CA 0.843 58.795 58.200 -0.414 0.000 0.907 26 S CB 0.554 63.656 63.200 -0.163 0.000 0.790 26 S HN 0.609 nan 8.310 nan 0.000 0.510 27 E N 1.951 122.016 120.200 -0.225 0.000 2.415 27 E HA 0.079 4.429 4.350 -0.000 0.000 0.263 27 E C -1.075 175.372 176.600 -0.254 0.000 0.995 27 E CA 0.100 56.399 56.400 -0.169 0.000 0.915 27 E CB 0.372 30.026 29.700 -0.078 0.000 0.951 27 E HN 0.261 nan 8.360 nan 0.000 0.449 28 D N 5.879 126.131 120.400 -0.247 0.000 2.375 28 D HA 0.200 4.840 4.640 -0.000 0.000 0.259 28 D C -2.140 173.884 176.300 -0.460 0.000 1.235 28 D CA -2.143 51.704 54.000 -0.255 0.000 0.924 28 D CB 1.278 41.994 40.800 -0.141 0.000 1.143 28 D HN 0.199 nan 8.370 nan 0.000 0.529 29 P HA 0.105 nan 4.420 nan 0.000 0.245 29 P C -0.122 176.877 177.300 -0.502 0.000 1.212 29 P CA 0.070 62.401 63.100 -1.281 0.000 0.774 29 P CB 0.248 31.461 31.700 -0.813 0.000 0.999 30 N N 0.554 119.128 118.700 -0.210 0.000 2.451 30 N HA 0.077 4.817 4.740 -0.000 0.000 0.264 30 N C 0.241 175.774 175.510 0.039 0.000 1.167 30 N CA 0.307 53.336 53.050 -0.035 0.000 0.898 30 N CB 0.354 38.851 38.487 0.017 0.000 1.176 30 N HN 0.244 nan 8.380 nan 0.000 0.507 31 T N -3.101 111.515 114.554 0.103 0.000 2.924 31 T HA 0.244 4.594 4.350 -0.000 0.000 0.291 31 T C 0.990 175.772 174.700 0.138 0.000 1.045 31 T CA -0.796 61.382 62.100 0.129 0.000 1.015 31 T CB 2.035 71.031 68.868 0.214 0.000 1.103 31 T HN -0.071 nan 8.240 nan 0.000 0.496 32 D N 0.494 120.926 120.400 0.053 0.000 2.104 32 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 32 D C 1.501 177.838 176.300 0.060 0.000 0.994 32 D CA 1.305 55.282 54.000 -0.037 0.000 0.830 32 D CB -0.751 39.936 40.800 -0.188 0.000 0.959 32 D HN 0.734 nan 8.370 nan 0.000 0.452 33 W N 0.033 121.323 121.300 -0.016 0.000 2.338 33 W HA -0.183 4.477 4.660 -0.000 0.000 0.304 33 W C 2.488 179.162 176.519 0.258 0.000 1.212 33 W CA 1.250 58.577 57.345 -0.029 0.000 1.264 33 W CB -0.660 28.485 29.460 -0.526 0.000 1.142 33 W HN 0.024 nan 8.180 nan 0.000 0.512 34 Y N 1.325 121.898 120.300 0.455 0.000 2.114 34 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 34 Y C 2.594 178.760 175.900 0.443 0.000 1.143 34 Y CA 2.561 60.996 58.100 0.559 0.000 1.135 34 Y CB -0.755 37.930 38.460 0.376 0.000 0.980 34 Y HN -0.142 nan 8.280 nan 0.000 0.499 35 K N -0.166 120.521 120.400 0.479 0.000 2.063 35 K HA -0.273 4.047 4.320 -0.000 0.000 0.208 35 K C 2.314 179.060 176.600 0.244 0.000 1.048 35 K CA 1.809 58.273 56.287 0.294 0.000 0.928 35 K CB -0.883 31.726 32.500 0.182 0.000 0.713 35 K HN 0.652 nan 8.250 nan 0.000 0.442 36 W N 1.777 123.096 121.300 0.032 0.000 2.335 36 W HA -0.219 4.441 4.660 -0.000 0.000 0.311 36 W C 1.625 178.156 176.519 0.021 0.000 1.213 36 W CA 2.190 59.489 57.345 -0.077 0.000 1.274 36 W CB -0.082 29.186 29.460 -0.320 0.000 1.148 36 W HN 0.090 nan 8.180 nan 0.000 0.498 37 V N -2.027 118.050 119.914 0.273 0.000 3.306 37 V HA -0.089 4.031 4.120 -0.000 0.000 0.264 37 V C 1.339 177.381 176.094 -0.086 0.000 1.149 37 V CA 1.709 64.099 62.300 0.151 0.000 1.143 37 V CB -1.051 31.033 31.823 0.435 0.000 0.767 37 V HN 0.079 nan 8.190 nan 0.000 0.476 38 H N 0.155 119.177 119.070 -0.081 0.000 2.553 38 H HA 0.293 4.849 4.556 -0.000 0.000 0.265 38 H C 0.576 175.844 175.328 -0.101 0.000 0.964 38 H CA 0.200 56.182 56.048 -0.110 0.000 1.156 38 H CB -0.042 29.637 29.762 -0.139 0.000 1.411 38 H HN 0.549 nan 8.280 nan 0.000 0.558 39 D N 1.306 121.672 120.400 -0.056 0.000 2.434 39 D HA -0.024 4.616 4.640 -0.000 0.000 0.252 39 D C -1.491 174.728 176.300 -0.134 0.000 1.185 39 D CA -1.514 52.412 54.000 -0.123 0.000 0.886 39 D CB 1.233 41.871 40.800 -0.270 0.000 1.148 39 D HN 0.046 nan 8.370 nan 0.000 0.483 40 P HA -0.135 nan 4.420 nan 0.000 0.218 40 P C 0.668 177.909 177.300 -0.098 0.000 1.148 40 P CA 1.131 64.186 63.100 -0.074 0.000 0.822 40 P CB 0.220 31.895 31.700 -0.043 0.000 0.784 41 E N -0.799 119.328 120.200 -0.121 0.000 2.046 41 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 41 E C 1.872 178.369 176.600 -0.172 0.000 0.982 41 E CA 0.715 57.040 56.400 -0.125 0.000 0.800 41 E CB -0.451 29.180 29.700 -0.117 0.000 0.756 41 E HN 0.188 nan 8.360 nan 0.000 0.449 42 N N 0.673 119.204 118.700 -0.281 0.000 2.094 42 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 42 N C 1.756 177.140 175.510 -0.210 0.000 1.023 42 N CA 1.315 54.151 53.050 -0.356 0.000 0.857 42 N CB -0.169 37.903 38.487 -0.690 0.000 1.013 42 N HN 0.193 nan 8.380 nan 0.000 0.426 43 M N 0.291 119.791 119.600 -0.167 0.000 2.077 43 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 43 M C 2.222 178.480 176.300 -0.069 0.000 1.070 43 M CA 1.588 56.828 55.300 -0.101 0.000 1.125 43 M CB -0.253 32.295 32.600 -0.086 0.000 1.339 43 M HN 0.146 nan 8.290 nan 0.000 0.409 44 A N 0.182 122.961 122.820 -0.069 0.000 1.972 44 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 44 A C 2.270 179.829 177.584 -0.042 0.000 1.169 44 A CA 1.779 53.787 52.037 -0.047 0.000 0.635 44 A CB -0.855 18.118 19.000 -0.045 0.000 0.810 44 A HN 0.518 nan 8.150 nan 0.000 0.446 45 A N -1.745 121.040 122.820 -0.057 0.000 2.119 45 A HA 0.359 4.679 4.320 -0.000 0.000 0.217 45 A C 1.969 179.541 177.584 -0.019 0.000 1.153 45 A CA 1.381 53.394 52.037 -0.040 0.000 0.692 45 A CB -0.956 18.011 19.000 -0.055 0.000 0.799 45 A HN 1.903 nan 8.150 nan 0.000 0.458 46 G N -1.275 107.512 108.800 -0.022 0.000 2.143 46 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 46 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 46 G C 0.751 175.669 174.900 0.030 0.000 0.991 46 G CA 0.533 45.635 45.100 0.005 0.000 0.689 46 G HN 0.428 nan 8.290 nan 0.000 0.522 47 L N -0.579 120.650 121.223 0.010 0.000 2.156 47 L HA 0.175 4.515 4.340 -0.000 0.000 0.208 47 L C 1.714 178.657 176.870 0.123 0.000 1.095 47 L CA 1.619 56.498 54.840 0.066 0.000 0.770 47 L CB -0.200 41.864 42.059 0.009 0.000 0.914 47 L HN 0.516 nan 8.230 nan 0.000 0.439 48 V N -5.217 114.722 119.914 0.042 0.000 2.960 48 V HA 0.356 4.476 4.120 -0.000 0.000 0.315 48 V C 1.035 177.156 176.094 0.044 0.000 1.087 48 V CA -0.233 62.123 62.300 0.093 0.000 0.982 48 V CB 1.600 33.458 31.823 0.057 0.000 1.039 48 V HN 0.138 nan 8.190 nan 0.000 0.437 49 S N 0.797 116.523 115.700 0.045 0.000 2.423 49 S HA 0.194 4.664 4.470 -0.000 0.000 0.231 49 S C 1.718 176.315 174.600 -0.005 0.000 1.014 49 S CA 1.415 59.619 58.200 0.006 0.000 0.965 49 S CB -0.280 62.897 63.200 -0.038 0.000 0.785 49 S HN 2.759 nan 8.310 nan 0.000 0.495 50 G N 0.753 109.547 108.800 -0.011 0.000 2.234 50 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 50 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 50 G C -0.337 174.552 174.900 -0.018 0.000 0.997 50 G CA 0.080 45.163 45.100 -0.029 0.000 0.623 50 G HN 0.553 nan 8.290 nan 0.000 0.514 51 D N 0.632 121.045 120.400 0.021 0.000 2.399 51 D HA 0.560 5.200 4.640 -0.000 0.000 0.241 51 D C 0.725 177.077 176.300 0.087 0.000 1.133 51 D CA 0.372 54.427 54.000 0.092 0.000 0.890 51 D CB 0.932 41.760 40.800 0.046 0.000 1.201 51 D HN 0.363 nan 8.370 nan 0.000 0.432 52 L N 3.221 124.459 121.223 0.024 0.000 2.362 52 L HA 0.295 4.635 4.340 -0.000 0.000 0.275 52 L C -1.517 175.109 176.870 -0.407 0.000 0.998 52 L CA -1.739 52.938 54.840 -0.270 0.000 0.820 52 L CB 2.654 44.553 42.059 -0.267 0.000 1.270 52 L HN 0.189 nan 8.230 nan 0.000 0.415 53 P HA -0.161 nan 4.420 nan 0.000 0.223 53 P C 0.776 177.874 177.300 -0.338 0.000 1.151 53 P CA 0.988 63.446 63.100 -1.070 0.000 0.787 53 P CB 0.176 31.023 31.700 -1.421 0.000 0.788 54 E N -0.230 119.899 120.200 -0.118 0.000 2.478 54 E HA -0.096 4.254 4.350 -0.000 0.000 0.198 54 E C 0.465 177.077 176.600 0.021 0.000 1.046 54 E CA 0.588 56.995 56.400 0.012 0.000 0.870 54 E CB -0.922 28.852 29.700 0.123 0.000 0.818 54 E HN 0.235 nan 8.360 nan 0.000 0.527 55 N N 1.387 120.105 118.700 0.030 0.000 2.279 55 N HA 0.124 4.864 4.740 -0.000 0.000 0.226 55 N C 0.464 175.886 175.510 -0.148 0.000 1.126 55 N CA 0.461 53.497 53.050 -0.024 0.000 0.846 55 N CB 0.777 39.242 38.487 -0.036 0.000 1.050 55 N HN 0.243 nan 8.380 nan 0.000 0.502 56 G N 1.397 110.224 108.800 0.045 0.000 2.494 56 G HA2 0.167 4.127 3.960 -0.000 0.000 0.270 56 G HA3 0.167 4.127 3.960 -0.000 0.000 0.270 56 G C -1.425 173.660 174.900 0.308 0.000 1.423 56 G CA -0.638 44.565 45.100 0.172 0.000 1.055 56 G HN -0.033 nan 8.290 nan 0.000 0.536 57 P HA 0.073 nan 4.420 nan 0.000 0.236 57 P C 0.977 178.468 177.300 0.319 0.000 1.177 57 P CA 1.223 64.535 63.100 0.354 0.000 0.773 57 P CB 0.352 32.302 31.700 0.417 0.000 0.878 58 G N 0.086 109.037 108.800 0.251 0.000 2.225 58 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 58 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 58 G C 0.415 175.416 174.900 0.169 0.000 1.060 58 G CA 0.156 45.376 45.100 0.200 0.000 0.833 58 G HN 0.267 nan 8.290 nan 0.000 0.498 59 Y N -0.786 119.453 120.300 -0.102 0.000 2.256 59 Y HA -0.095 4.455 4.550 -0.000 0.000 0.288 59 Y C 2.355 178.245 175.900 -0.016 0.000 1.155 59 Y CA 2.221 60.053 58.100 -0.446 0.000 1.203 59 Y CB -0.152 37.958 38.460 -0.583 0.000 0.980 59 Y HN 0.561 nan 8.280 nan 0.000 0.530 60 W N 0.597 121.845 121.300 -0.087 0.000 2.318 60 W HA -0.213 4.446 4.660 -0.000 0.000 0.313 60 W C 2.054 178.639 176.519 0.110 0.000 1.221 60 W CA 2.032 59.325 57.345 -0.087 0.000 1.266 60 W CB -0.712 28.656 29.460 -0.153 0.000 1.150 60 W HN 0.250 nan 8.180 nan 0.000 0.496 61 G N -0.804 108.093 108.800 0.162 0.000 2.595 61 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.213 61 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.213 61 G C 0.973 175.802 174.900 -0.118 0.000 1.141 61 G CA 0.250 45.382 45.100 0.053 0.000 0.806 61 G HN 0.108 nan 8.290 nan 0.000 0.530 62 N N 0.286 118.928 118.700 -0.096 0.000 2.251 62 N HA 0.090 4.830 4.740 -0.000 0.000 0.217 62 N C 1.399 176.785 175.510 -0.206 0.000 1.124 62 N CA -0.313 52.669 53.050 -0.112 0.000 0.843 62 N CB 0.069 38.631 38.487 0.125 0.000 1.024 62 N HN 0.601 nan 8.380 nan 0.000 0.501 63 Y N 0.676 120.691 120.300 -0.474 0.000 2.241 63 Y HA -0.058 4.492 4.550 -0.000 0.000 0.286 63 Y C 1.832 177.406 175.900 -0.544 0.000 1.166 63 Y CA 1.016 58.632 58.100 -0.807 0.000 1.203 63 Y CB -0.461 37.221 38.460 -1.297 0.000 0.977 63 Y HN -0.138 nan 8.280 nan 0.000 0.529 64 K N 0.170 120.114 120.400 -0.761 0.000 2.097 64 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 64 K C 2.015 178.559 176.600 -0.094 0.000 1.050 64 K CA 1.775 57.853 56.287 -0.348 0.000 0.938 64 K CB -0.295 31.963 32.500 -0.404 0.000 0.718 64 K HN 0.402 nan 8.250 nan 0.000 0.442 65 T N 0.996 115.509 114.554 -0.068 0.000 2.708 65 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 65 T C 1.535 176.293 174.700 0.097 0.000 1.037 65 T CA 1.216 63.330 62.100 0.022 0.000 1.146 65 T CB -0.335 68.541 68.868 0.013 0.000 0.865 65 T HN 0.040 nan 8.240 nan 0.000 0.435 66 F N 1.516 121.426 119.950 -0.067 0.000 2.065 66 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 66 F C 2.421 178.239 175.800 0.029 0.000 1.112 66 F CA 1.325 59.308 58.000 -0.029 0.000 1.212 66 F CB -0.965 38.125 39.000 0.149 0.000 0.975 66 F HN 0.424 nan 8.300 nan 0.000 0.476 67 H N -1.370 117.892 119.070 0.320 0.000 2.389 67 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 67 H C 1.805 177.210 175.328 0.128 0.000 1.081 67 H CA 0.710 56.905 56.048 0.244 0.000 1.345 67 H CB -0.120 29.812 29.762 0.284 0.000 1.393 67 H HN 0.138 nan 8.280 nan 0.000 0.520 68 D N 0.548 121.072 120.400 0.206 0.000 2.106 68 D HA -0.164 4.476 4.640 -0.000 0.000 0.191 68 D C 1.883 178.259 176.300 0.127 0.000 0.997 68 D CA 0.907 54.983 54.000 0.127 0.000 0.834 68 D CB -0.371 40.472 40.800 0.071 0.000 0.956 68 D HN 0.347 nan 8.370 nan 0.000 0.448 69 N N 0.542 119.304 118.700 0.102 0.000 2.120 69 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 69 N C 1.787 177.308 175.510 0.018 0.000 1.024 69 N CA 1.264 54.389 53.050 0.124 0.000 0.852 69 N CB -0.218 38.252 38.487 -0.028 0.000 1.003 69 N HN 0.127 nan 8.380 nan 0.000 0.424 70 A N 1.170 123.936 122.820 -0.090 0.000 1.902 70 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 70 A C 2.217 179.838 177.584 0.061 0.000 1.181 70 A CA 1.532 53.501 52.037 -0.115 0.000 0.623 70 A CB -0.716 18.171 19.000 -0.189 0.000 0.818 70 A HN 0.378 nan 8.150 nan 0.000 0.443 71 Q N -0.272 119.598 119.800 0.116 0.000 2.050 71 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 71 Q C 1.989 178.059 176.000 0.117 0.000 0.980 71 Q CA 1.816 57.691 55.803 0.119 0.000 0.840 71 Q CB -0.137 28.671 28.738 0.117 0.000 0.898 71 Q HN 0.654 nan 8.270 nan 0.000 0.424 72 K N -0.043 120.448 120.400 0.152 0.000 2.152 72 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 72 K C 1.905 178.658 176.600 0.254 0.000 1.048 72 K CA 1.345 57.742 56.287 0.185 0.000 0.933 72 K CB -0.126 32.522 32.500 0.246 0.000 0.721 72 K HN 0.337 nan 8.250 nan 0.000 0.447 73 M N -0.329 119.426 119.600 0.257 0.000 2.619 73 M HA -0.010 4.470 4.480 -0.000 0.000 0.251 73 M C 0.429 176.744 176.300 0.026 0.000 1.106 73 M CA 0.848 56.250 55.300 0.169 0.000 1.086 73 M CB 0.382 32.937 32.600 -0.075 0.000 1.465 73 M HN 0.387 nan 8.290 nan 0.000 0.506 74 G N 1.420 110.250 108.800 0.049 0.000 2.147 74 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.244 74 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.244 74 G C -0.076 174.840 174.900 0.028 0.000 1.005 74 G CA -0.108 45.010 45.100 0.031 0.000 0.713 74 G HN 0.443 nan 8.290 nan 0.000 0.515 75 L N -0.427 120.824 121.223 0.047 0.000 2.416 75 L HA 0.349 4.689 4.340 -0.000 0.000 0.272 75 L C 1.360 178.329 176.870 0.165 0.000 1.161 75 L CA -0.087 54.825 54.840 0.120 0.000 0.845 75 L CB 0.823 43.017 42.059 0.225 0.000 1.119 75 L HN -0.055 nan 8.230 nan 0.000 0.464 76 K N 3.281 123.779 120.400 0.162 0.000 2.440 76 K HA 0.442 4.762 4.320 -0.000 0.000 0.207 76 K C -0.330 176.332 176.600 0.103 0.000 1.112 76 K CA 0.117 56.475 56.287 0.119 0.000 1.036 76 K CB 1.250 33.813 32.500 0.105 0.000 0.935 76 K HN 0.521 nan 8.250 nan 0.000 0.564 77 I N -0.103 120.530 120.570 0.104 0.000 2.841 77 I HA 0.476 4.646 4.170 -0.000 0.000 0.298 77 I C -2.033 174.031 176.117 -0.088 0.000 1.304 77 I CA -0.841 60.474 61.300 0.025 0.000 1.019 77 I CB 2.166 40.131 38.000 -0.057 0.000 1.282 77 I HN -0.068 nan 8.210 nan 0.000 0.432 78 A N 6.417 129.084 122.820 -0.255 0.000 2.449 78 A HA 0.798 5.118 4.320 -0.000 0.000 0.302 78 A C -1.505 175.865 177.584 -0.356 0.000 1.048 78 A CA -0.667 50.980 52.037 -0.650 0.000 0.708 78 A CB 1.965 20.336 19.000 -1.048 0.000 1.274 78 A HN 0.623 nan 8.150 nan 0.000 0.410 79 R N 2.336 122.606 120.500 -0.384 0.000 2.480 79 R HA 0.716 5.056 4.340 -0.000 0.000 0.306 79 R C -2.140 174.097 176.300 -0.105 0.000 0.958 79 R CA -0.469 55.539 56.100 -0.154 0.000 0.861 79 R CB 1.015 31.271 30.300 -0.072 0.000 1.171 79 R HN 0.594 nan 8.270 nan 0.000 0.445 80 L N 3.228 124.483 121.223 0.053 0.000 2.409 80 L HA 0.511 4.851 4.340 -0.000 0.000 0.255 80 L C -0.449 176.543 176.870 0.203 0.000 1.027 80 L CA -0.903 54.023 54.840 0.142 0.000 0.834 80 L CB 2.040 44.234 42.059 0.225 0.000 1.426 80 L HN 0.783 nan 8.230 nan 0.000 0.411 81 N N -0.116 118.749 118.700 0.275 0.000 2.328 81 N HA 0.578 5.318 4.740 -0.000 0.000 0.299 81 N C -0.758 174.947 175.510 0.325 0.000 1.179 81 N CA -0.515 52.706 53.050 0.286 0.000 0.793 81 N CB 2.381 41.072 38.487 0.340 0.000 1.366 81 N HN 0.324 nan 8.380 nan 0.000 0.493 82 V N -1.487 118.547 119.914 0.200 0.000 2.649 82 V HA 0.366 4.486 4.120 -0.000 0.000 0.292 82 V C 0.306 176.650 176.094 0.417 0.000 1.055 82 V CA -0.550 61.755 62.300 0.009 0.000 1.023 82 V CB 0.744 32.466 31.823 -0.168 0.000 0.992 82 V HN 0.592 nan 8.190 nan 0.000 0.480 83 E N 3.840 124.360 120.200 0.534 0.000 2.089 83 E HA 0.055 4.405 4.350 -0.000 0.000 0.284 83 E C 0.324 177.288 176.600 0.607 0.000 1.023 83 E CA -0.368 56.373 56.400 0.568 0.000 0.819 83 E CB 0.945 30.946 29.700 0.502 0.000 1.076 83 E HN 1.003 nan 8.360 nan 0.000 0.396 84 W N 4.114 125.572 121.300 0.263 0.000 2.262 84 W HA -0.350 4.310 4.660 -0.000 0.000 0.331 84 W C 1.966 178.570 176.519 0.143 0.000 1.315 84 W CA 2.700 59.947 57.345 -0.164 0.000 1.302 84 W CB -0.844 28.359 29.460 -0.428 0.000 1.128 84 W HN 0.514 nan 8.180 nan 0.000 0.482 85 S N -0.155 115.763 115.700 0.363 0.000 2.442 85 S HA -0.162 4.308 4.470 -0.000 0.000 0.236 85 S C 1.907 176.674 174.600 0.278 0.000 1.007 85 S CA 1.324 59.670 58.200 0.243 0.000 0.965 85 S CB -0.540 62.753 63.200 0.155 0.000 0.773 85 S HN 0.403 nan 8.310 nan 0.000 0.504 86 R N 0.204 120.901 120.500 0.329 0.000 2.093 86 R HA 0.168 4.508 4.340 -0.000 0.000 0.224 86 R C 1.954 178.440 176.300 0.308 0.000 1.101 86 R CA 1.180 57.444 56.100 0.272 0.000 0.979 86 R CB -0.240 30.253 30.300 0.322 0.000 0.877 86 R HN 0.408 nan 8.270 nan 0.000 0.441 87 I N -0.418 120.397 120.570 0.408 0.000 2.333 87 I HA -0.084 4.086 4.170 -0.000 0.000 0.246 87 I C 0.540 176.583 176.117 -0.123 0.000 1.106 87 I CA 1.251 62.679 61.300 0.213 0.000 1.411 87 I CB -0.366 37.887 38.000 0.421 0.000 1.082 87 I HN -0.055 nan 8.210 nan 0.000 0.420 88 F N 2.517 122.767 119.950 0.500 0.000 2.449 88 F HA 0.360 4.887 4.527 -0.000 0.000 0.329 88 F C -1.628 174.429 175.800 0.429 0.000 1.245 88 F CA -2.013 56.254 58.000 0.444 0.000 1.193 88 F CB 0.313 39.668 39.000 0.592 0.000 1.425 88 F HN -0.075 nan 8.300 nan 0.000 0.544 89 P HA -0.038 nan 4.420 nan 0.000 0.231 89 P C -0.485 176.955 177.300 0.234 0.000 1.168 89 P CA 0.790 64.068 63.100 0.296 0.000 0.779 89 P CB 0.322 32.118 31.700 0.160 0.000 0.844 90 N N 0.748 119.471 118.700 0.038 0.000 2.361 90 N HA 0.318 5.058 4.740 -0.000 0.000 0.302 90 N C -2.724 172.247 175.510 -0.897 0.000 1.074 90 N CA -2.168 50.746 53.050 -0.226 0.000 0.850 90 N CB 0.916 39.367 38.487 -0.060 0.000 1.228 90 N HN -0.061 nan 8.380 nan 0.000 0.491 91 P HA -0.037 nan 4.420 nan 0.000 0.264 91 P C -0.740 175.929 177.300 -1.051 0.000 1.183 91 P CA 0.466 62.757 63.100 -1.349 0.000 0.763 91 P CB 0.616 32.043 31.700 -0.455 0.000 0.807 92 L N 5.513 125.944 121.223 -1.319 0.000 2.334 92 L HA 0.348 4.688 4.340 -0.000 0.000 0.277 92 L C -1.602 174.990 176.870 -0.464 0.000 1.075 92 L CA -2.283 52.051 54.840 -0.844 0.000 0.804 92 L CB 0.649 42.296 42.059 -0.687 0.000 1.174 92 L HN 0.227 nan 8.230 nan 0.000 0.438 93 P HA 0.039 nan 4.420 nan 0.000 0.261 93 P C -0.244 176.999 177.300 -0.095 0.000 1.183 93 P CA -0.092 62.911 63.100 -0.163 0.000 0.761 93 P CB 0.227 31.867 31.700 -0.100 0.000 0.785 94 R N 4.624 125.102 120.500 -0.037 0.000 2.484 94 R HA 0.231 4.571 4.340 -0.000 0.000 0.293 94 R C -2.236 174.062 176.300 -0.004 0.000 1.023 94 R CA -1.103 55.000 56.100 0.005 0.000 1.037 94 R CB -1.760 nan 30.300 nan 0.000 0.951 94 R HN 0.466 nan 8.270 nan 0.000 0.418 95 P HA 0.020 nan 4.420 nan 0.000 0.269 95 P C 0.072 177.375 177.300 0.004 0.000 1.217 95 P CA -0.323 62.759 63.100 -0.029 0.000 0.783 95 P CB 0.846 32.456 31.700 -0.151 0.000 0.898 96 Q N 1.601 121.407 119.800 0.010 0.000 2.297 96 Q HA -0.048 4.292 4.340 -0.000 0.000 0.203 96 Q C 1.483 177.489 176.000 0.011 0.000 0.931 96 Q CA 1.392 57.202 55.803 0.011 0.000 0.885 96 Q CB -1.091 27.653 28.738 0.010 0.000 0.991 96 Q HN 0.637 nan 8.270 nan 0.000 0.498 97 N N -0.079 118.632 118.700 0.019 0.000 2.364 97 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 97 N C 0.121 175.652 175.510 0.035 0.000 1.022 97 N CA 0.343 53.408 53.050 0.025 0.000 0.883 97 N CB -0.300 38.213 38.487 0.043 0.000 0.965 97 N HN 0.027 nan 8.380 nan 0.000 0.438 98 F N 1.862 121.708 119.950 -0.173 0.000 2.445 98 F HA 0.233 4.760 4.527 -0.000 0.000 0.359 98 F C -0.335 175.384 175.800 -0.136 0.000 1.101 98 F CA -1.566 56.298 58.000 -0.227 0.000 1.177 98 F CB 0.558 39.284 39.000 -0.456 0.000 1.110 98 F HN -0.054 nan 8.300 nan 0.000 0.522 99 D N 5.177 125.155 120.400 -0.703 0.000 2.443 99 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 99 D C 0.668 176.425 176.300 -0.905 0.000 1.097 99 D CA 0.022 53.660 54.000 -0.603 0.000 0.865 99 D CB 0.681 41.296 40.800 -0.309 0.000 1.034 99 D HN 0.785 nan 8.370 nan 0.000 0.511 100 E N 1.659 121.403 120.200 -0.760 0.000 2.427 100 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 100 E C 1.169 177.623 176.600 -0.243 0.000 1.028 100 E CA 0.358 56.433 56.400 -0.542 0.000 0.864 100 E CB 0.390 29.977 29.700 -0.189 0.000 0.813 100 E HN 0.513 nan 8.360 nan 0.000 0.514 101 S N -0.006 115.565 115.700 -0.216 0.000 2.461 101 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 101 S C 0.970 175.508 174.600 -0.104 0.000 1.005 101 S CA 0.092 58.217 58.200 -0.125 0.000 0.942 101 S CB 0.011 63.147 63.200 -0.107 0.000 0.776 101 S HN -0.009 nan 8.310 nan 0.000 0.514 102 K N 1.703 122.019 120.400 -0.139 0.000 2.379 102 K HA 0.155 4.475 4.320 -0.000 0.000 0.284 102 K C 1.143 177.737 176.600 -0.009 0.000 1.044 102 K CA -0.096 56.144 56.287 -0.079 0.000 0.974 102 K CB 0.422 32.859 32.500 -0.105 0.000 0.962 102 K HN 0.283 nan 8.250 nan 0.000 0.474 103 Q N 1.475 121.293 119.800 0.030 0.000 2.083 103 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 103 Q C -0.384 175.750 176.000 0.223 0.000 0.969 103 Q CA 1.197 57.062 55.803 0.103 0.000 0.838 103 Q CB 0.235 29.000 28.738 0.046 0.000 0.900 103 Q HN 0.599 nan 8.270 nan 0.000 0.436 104 D N -0.056 120.449 120.400 0.176 0.000 2.225 104 D HA 0.191 4.831 4.640 -0.000 0.000 0.248 104 D C -1.021 175.361 176.300 0.138 0.000 1.096 104 D CA -0.116 53.992 54.000 0.179 0.000 0.863 104 D CB 1.832 42.718 40.800 0.144 0.000 1.156 104 D HN -0.210 nan 8.370 nan 0.000 0.450 105 V N 2.654 122.647 119.914 0.133 0.000 2.275 105 V HA 0.177 4.296 4.120 -0.000 0.000 0.272 105 V C 1.231 177.379 176.094 0.089 0.000 1.028 105 V CA -0.386 62.009 62.300 0.158 0.000 0.810 105 V CB 0.889 32.844 31.823 0.220 0.000 1.043 105 V HN 0.768 nan 8.190 nan 0.000 0.453 106 T N 0.264 114.865 114.554 0.079 0.000 3.037 106 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 106 T C 0.417 175.139 174.700 0.037 0.000 1.073 106 T CA 0.192 62.316 62.100 0.041 0.000 1.091 106 T CB 0.671 69.560 68.868 0.035 0.000 0.935 106 T HN 0.586 nan 8.240 nan 0.000 0.488 107 E N 0.048 120.287 120.200 0.066 0.000 2.352 107 E HA 0.541 4.891 4.350 -0.000 0.000 0.280 107 E C -2.210 174.444 176.600 0.091 0.000 0.930 107 E CA -0.835 55.598 56.400 0.054 0.000 0.765 107 E CB 2.690 32.417 29.700 0.045 0.000 1.219 107 E HN 0.013 nan 8.360 nan 0.000 0.434 108 V N 3.585 123.527 119.914 0.046 0.000 2.447 108 V HA 0.229 4.349 4.120 -0.000 0.000 0.292 108 V C -0.377 175.704 176.094 -0.020 0.000 1.021 108 V CA -0.762 61.561 62.300 0.040 0.000 0.850 108 V CB 1.546 33.321 31.823 -0.080 0.000 1.005 108 V HN 0.656 nan 8.190 nan 0.000 0.426 109 E N 4.855 125.069 120.200 0.023 0.000 2.257 109 E HA 0.438 4.788 4.350 -0.000 0.000 0.278 109 E C -1.214 175.349 176.600 -0.062 0.000 1.049 109 E CA -0.128 56.265 56.400 -0.013 0.000 0.876 109 E CB 0.909 30.619 29.700 0.017 0.000 1.035 109 E HN 0.580 nan 8.360 nan 0.000 0.419 110 I N 4.507 125.017 120.570 -0.099 0.000 2.509 110 I HA 0.289 4.459 4.170 -0.000 0.000 0.293 110 I C -0.341 175.692 176.117 -0.139 0.000 1.020 110 I CA -0.662 60.552 61.300 -0.143 0.000 1.088 110 I CB 1.820 39.706 38.000 -0.190 0.000 1.267 110 I HN 0.536 nan 8.210 nan 0.000 0.430 111 N N 2.381 120.987 118.700 -0.157 0.000 2.972 111 N HA 0.261 5.001 4.740 -0.000 0.000 0.262 111 N C 0.128 175.508 175.510 -0.217 0.000 1.478 111 N CA -0.909 52.051 53.050 -0.149 0.000 0.841 111 N CB 0.791 39.224 38.487 -0.089 0.000 1.512 111 N HN 0.500 nan 8.380 nan 0.000 0.548 112 E N -0.583 119.505 120.200 -0.185 0.000 2.118 112 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 112 E C 0.523 177.018 176.600 -0.175 0.000 0.992 112 E CA 1.279 57.547 56.400 -0.220 0.000 0.804 112 E CB -0.102 29.552 29.700 -0.077 0.000 0.741 112 E HN 0.487 nan 8.360 nan 0.000 0.458 113 N N 0.676 119.321 118.700 -0.091 0.000 2.142 113 N HA -0.143 4.596 4.740 -0.000 0.000 0.186 113 N C 1.693 177.173 175.510 -0.050 0.000 1.023 113 N CA 0.640 53.666 53.050 -0.040 0.000 0.852 113 N CB -0.239 38.240 38.487 -0.013 0.000 0.998 113 N HN 0.207 nan 8.380 nan 0.000 0.424 114 E N 1.449 121.599 120.200 -0.084 0.000 2.048 114 E HA -0.159 4.191 4.350 -0.000 0.000 0.202 114 E C 2.241 178.766 176.600 -0.124 0.000 1.021 114 E CA 0.859 57.205 56.400 -0.090 0.000 0.825 114 E CB -0.359 29.271 29.700 -0.116 0.000 0.756 114 E HN 0.313 nan 8.360 nan 0.000 0.454 115 L N 0.576 121.632 121.223 -0.278 0.000 2.043 115 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 115 L C 2.584 179.367 176.870 -0.146 0.000 1.075 115 L CA 1.453 56.043 54.840 -0.418 0.000 0.752 115 L CB -0.370 40.925 42.059 -1.274 0.000 0.891 115 L HN 0.082 nan 8.230 nan 0.000 0.432 116 K N -0.479 119.868 120.400 -0.088 0.000 2.147 116 K HA -0.141 4.178 4.320 -0.000 0.000 0.205 116 K C 2.260 178.969 176.600 0.183 0.000 1.049 116 K CA 1.002 57.398 56.287 0.182 0.000 0.936 116 K CB -0.089 32.504 32.500 0.155 0.000 0.722 116 K HN 0.274 nan 8.250 nan 0.000 0.446 117 R N 0.734 121.302 120.500 0.114 0.000 2.066 117 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 117 R C 2.373 178.809 176.300 0.228 0.000 1.131 117 R CA 1.046 57.234 56.100 0.147 0.000 0.955 117 R CB -0.387 29.974 30.300 0.102 0.000 0.851 117 R HN 0.135 nan 8.270 nan 0.000 0.432 118 L N 0.737 122.054 121.223 0.157 0.000 2.012 118 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 118 L C 2.146 179.186 176.870 0.282 0.000 1.073 118 L CA 1.359 56.280 54.840 0.136 0.000 0.748 118 L CB -0.524 41.474 42.059 -0.102 0.000 0.891 118 L HN 0.174 nan 8.230 nan 0.000 0.431 119 D N 0.163 120.776 120.400 0.354 0.000 2.254 119 D HA -0.245 4.395 4.640 -0.000 0.000 0.201 119 D C 2.141 178.619 176.300 0.297 0.000 0.998 119 D CA 1.626 55.910 54.000 0.473 0.000 0.885 119 D CB 0.249 41.395 40.800 0.576 0.000 0.915 119 D HN 0.475 nan 8.370 nan 0.000 0.460 120 E N -1.143 119.197 120.200 0.233 0.000 2.285 120 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 120 E C 1.692 178.280 176.600 -0.020 0.000 0.997 120 E CA 0.594 57.032 56.400 0.065 0.000 0.845 120 E CB -0.920 nan 29.700 nan 0.000 0.782 120 E HN 0.537 nan 8.360 nan 0.000 0.491 121 Y N -0.027 120.372 120.300 0.165 0.000 2.500 121 Y HA 0.503 5.053 4.550 -0.000 0.000 0.270 121 Y C 1.677 177.672 175.900 0.159 0.000 1.134 121 Y CA 0.051 58.261 58.100 0.182 0.000 1.293 121 Y CB 0.463 39.063 38.460 0.233 0.000 1.063 121 Y HN 0.337 nan 8.280 nan 0.000 0.534 122 A N 0.961 123.896 122.820 0.192 0.000 2.425 122 A HA 0.117 4.437 4.320 -0.000 0.000 0.249 122 A C 0.115 177.680 177.584 -0.032 0.000 1.084 122 A CA -0.468 51.446 52.037 -0.205 0.000 0.781 122 A CB -0.001 18.904 19.000 -0.159 0.000 1.019 122 A HN 0.282 nan 8.150 nan 0.000 0.490 123 N N 1.594 120.265 118.700 -0.050 0.000 2.405 123 N HA 0.051 4.791 4.740 -0.000 0.000 0.260 123 N C 0.719 176.293 175.510 0.107 0.000 1.152 123 N CA -0.006 53.079 53.050 0.059 0.000 0.948 123 N CB 0.672 39.213 38.487 0.091 0.000 1.111 123 N HN 0.575 nan 8.380 nan 0.000 0.485 124 K N 2.430 122.888 120.400 0.096 0.000 2.167 124 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 124 K C 0.472 177.140 176.600 0.113 0.000 1.052 124 K CA 0.635 56.982 56.287 0.101 0.000 0.956 124 K CB 0.281 32.823 32.500 0.069 0.000 0.735 124 K HN 0.534 nan 8.250 nan 0.000 0.451 125 D N 1.410 121.879 120.400 0.114 0.000 2.092 125 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 125 D C 1.888 178.310 176.300 0.204 0.000 0.994 125 D CA 1.493 55.572 54.000 0.132 0.000 0.828 125 D CB -0.190 40.681 40.800 0.118 0.000 0.963 125 D HN 0.127 nan 8.370 nan 0.000 0.450 126 A N 0.722 123.696 122.820 0.257 0.000 1.883 126 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 126 A C 2.192 180.037 177.584 0.435 0.000 1.186 126 A CA 1.140 53.413 52.037 0.393 0.000 0.624 126 A CB -0.840 18.381 19.000 0.368 0.000 0.822 126 A HN 0.202 nan 8.150 nan 0.000 0.444 127 L N 0.380 121.830 121.223 0.379 0.000 2.042 127 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 127 L C 2.121 179.162 176.870 0.286 0.000 1.076 127 L CA 2.446 57.530 54.840 0.406 0.000 0.749 127 L CB -0.960 41.247 42.059 0.246 0.000 0.893 127 L HN 0.562 nan 8.230 nan 0.000 0.432 128 N N -1.715 117.075 118.700 0.151 0.000 2.188 128 N HA -0.236 4.504 4.740 -0.000 0.000 0.184 128 N C 2.027 177.517 175.510 -0.034 0.000 1.018 128 N CA 1.477 54.557 53.050 0.050 0.000 0.858 128 N CB -0.102 38.401 38.487 0.026 0.000 0.989 128 N HN 0.538 nan 8.380 nan 0.000 0.426 129 H N -1.374 117.603 119.070 -0.155 0.000 2.321 129 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 129 H C 1.339 176.269 175.328 -0.664 0.000 1.087 129 H CA 1.988 57.740 56.048 -0.493 0.000 1.319 129 H CB -0.188 29.129 29.762 -0.743 0.000 1.379 129 H HN 0.249 nan 8.280 nan 0.000 0.501 130 Y N 0.557 120.682 120.300 -0.292 0.000 2.114 130 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 130 Y C 2.924 178.352 175.900 -0.786 0.000 1.165 130 Y CA 1.877 59.578 58.100 -0.665 0.000 1.148 130 Y CB -0.551 37.668 38.460 -0.403 0.000 0.972 130 Y HN 0.184 nan 8.280 nan 0.000 0.504 131 R N 0.465 120.983 120.500 0.031 0.000 2.096 131 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 131 R C 2.036 178.264 176.300 -0.121 0.000 1.139 131 R CA 1.936 58.110 56.100 0.123 0.000 0.952 131 R CB -0.130 30.256 30.300 0.143 0.000 0.854 131 R HN 0.248 nan 8.270 nan 0.000 0.436 132 E N 0.593 120.619 120.200 -0.291 0.000 2.077 132 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 132 E C 2.136 178.435 176.600 -0.501 0.000 0.989 132 E CA 1.412 57.602 56.400 -0.350 0.000 0.800 132 E CB -0.245 29.209 29.700 -0.409 0.000 0.746 132 E HN 0.500 nan 8.360 nan 0.000 0.452 133 I N 0.545 120.567 120.570 -0.914 0.000 2.163 133 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 133 I C 2.212 178.189 176.117 -0.233 0.000 1.085 133 I CA 1.197 61.913 61.300 -0.974 0.000 1.347 133 I CB -0.354 37.004 38.000 -1.070 0.000 1.044 133 I HN -0.011 nan 8.210 nan 0.000 0.408 134 F N 1.064 120.883 119.950 -0.218 0.000 2.259 134 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 134 F C 2.421 178.108 175.800 -0.188 0.000 1.088 134 F CA 0.807 58.646 58.000 -0.268 0.000 1.358 134 F CB -1.008 37.889 39.000 -0.172 0.000 1.040 134 F HN -0.033 nan 8.300 nan 0.000 0.505 135 K N 0.228 120.670 120.400 0.070 0.000 2.057 135 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 135 K C 1.746 178.361 176.600 0.025 0.000 1.050 135 K CA 1.739 58.050 56.287 0.038 0.000 0.935 135 K CB -0.463 32.049 32.500 0.021 0.000 0.715 135 K HN 0.200 nan 8.250 nan 0.000 0.439 136 D N 0.819 121.251 120.400 0.054 0.000 2.117 136 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 136 D C 1.933 178.277 176.300 0.073 0.000 0.987 136 D CA 0.657 54.744 54.000 0.144 0.000 0.829 136 D CB 0.096 41.105 40.800 0.349 0.000 0.961 136 D HN -0.009 nan 8.370 nan 0.000 0.460 137 L N 0.673 121.838 121.223 -0.096 0.000 1.970 137 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 137 L C 2.005 178.755 176.870 -0.200 0.000 1.071 137 L CA 1.743 56.336 54.840 -0.411 0.000 0.751 137 L CB -0.414 41.351 42.059 -0.490 0.000 0.889 137 L HN -0.103 nan 8.230 nan 0.000 0.432 138 K N -0.060 120.258 120.400 -0.137 0.000 2.152 138 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 138 K C 2.271 178.859 176.600 -0.020 0.000 1.048 138 K CA 1.460 57.705 56.287 -0.069 0.000 0.933 138 K CB -0.861 31.619 32.500 -0.034 0.000 0.721 138 K HN 0.663 nan 8.250 nan 0.000 0.447 139 S N 0.976 116.674 115.700 -0.004 0.000 2.469 139 S HA -0.082 4.388 4.470 -0.000 0.000 0.238 139 S C 1.471 176.088 174.600 0.029 0.000 0.998 139 S CA 0.549 58.761 58.200 0.019 0.000 0.957 139 S CB -0.098 63.121 63.200 0.031 0.000 0.764 139 S HN 0.150 nan 8.310 nan 0.000 0.514 140 R N 1.228 121.745 120.500 0.028 0.000 2.310 140 R HA 0.276 4.616 4.340 -0.000 0.000 0.202 140 R C 1.528 177.860 176.300 0.053 0.000 0.933 140 R CA 0.454 56.585 56.100 0.051 0.000 1.054 140 R CB -1.423 28.922 30.300 0.074 0.000 0.985 140 R HN 0.635 nan 8.270 nan 0.000 0.489 141 G N 1.531 110.355 108.800 0.039 0.000 2.160 141 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 141 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 141 G C -0.180 174.760 174.900 0.067 0.000 1.022 141 G CA -0.126 45.005 45.100 0.052 0.000 0.741 141 G HN 0.261 nan 8.290 nan 0.000 0.508 142 L N 0.275 121.524 121.223 0.045 0.000 2.260 142 L HA 0.433 4.773 4.340 -0.000 0.000 0.289 142 L C 0.877 177.783 176.870 0.060 0.000 1.057 142 L CA -1.290 53.582 54.840 0.054 0.000 0.811 142 L CB 0.690 42.753 42.059 0.007 0.000 1.184 142 L HN 0.253 nan 8.230 nan 0.000 0.429 143 Y N 4.083 124.357 120.300 -0.043 0.000 2.610 143 Y HA 0.007 4.557 4.550 -0.000 0.000 0.332 143 Y C -0.425 175.439 175.900 -0.059 0.000 1.201 143 Y CA 0.347 58.410 58.100 -0.062 0.000 1.465 143 Y CB 0.383 38.787 38.460 -0.092 0.000 1.283 143 Y HN 0.378 nan 8.280 nan 0.000 0.563 144 F N 8.014 127.694 119.950 -0.449 0.000 2.403 144 F HA 0.458 4.984 4.527 -0.000 0.000 0.355 144 F C -1.215 174.283 175.800 -0.504 0.000 1.119 144 F CA -2.124 55.614 58.000 -0.437 0.000 1.007 144 F CB 0.255 38.992 39.000 -0.437 0.000 1.194 144 F HN 0.310 nan 8.300 nan 0.000 0.443 145 I N 7.362 127.717 120.570 -0.358 0.000 2.304 145 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 145 I C -0.753 174.921 176.117 -0.738 0.000 1.018 145 I CA -0.870 60.107 61.300 -0.538 0.000 1.260 145 I CB 1.240 39.025 38.000 -0.357 0.000 1.390 145 I HN 0.384 nan 8.210 nan 0.000 0.475 146 L N 7.727 128.312 121.223 -1.063 0.000 2.264 146 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 146 L C -0.256 176.490 176.870 -0.208 0.000 1.044 146 L CA 0.078 54.413 54.840 -0.842 0.000 0.807 146 L CB 0.887 42.292 42.059 -1.090 0.000 1.192 146 L HN 0.501 nan 8.230 nan 0.000 0.425 147 N N 4.323 123.008 118.700 -0.024 0.000 2.456 147 N HA 0.282 5.022 4.740 -0.000 0.000 0.288 147 N C 0.580 176.233 175.510 0.239 0.000 1.059 147 N CA -0.469 52.676 53.050 0.158 0.000 0.946 147 N CB 1.062 39.669 38.487 0.201 0.000 1.150 147 N HN 0.567 nan 8.380 nan 0.000 0.479 148 M N 1.566 121.369 119.600 0.338 0.000 2.388 148 M HA 0.073 4.553 4.480 -0.000 0.000 0.265 148 M C -0.455 176.302 176.300 0.761 0.000 1.088 148 M CA 0.837 56.422 55.300 0.475 0.000 1.134 148 M CB -0.866 31.971 32.600 0.395 0.000 1.384 148 M HN 0.603 nan 8.290 nan 0.000 0.447 149 Y N -0.566 120.038 120.300 0.506 0.000 2.358 149 Y HA 0.318 4.868 4.550 -0.000 0.000 0.324 149 Y C -0.873 175.256 175.900 0.381 0.000 1.123 149 Y CA -1.246 57.151 58.100 0.495 0.000 1.067 149 Y CB 0.799 39.522 38.460 0.438 0.000 1.230 149 Y HN 0.231 nan 8.280 nan 0.000 0.429 150 H N 6.533 125.440 119.070 -0.271 0.000 2.779 150 H HA 0.258 4.814 4.556 -0.000 0.000 0.230 150 H C -0.723 174.344 175.328 -0.435 0.000 1.365 150 H CA -0.136 55.672 56.048 -0.400 0.000 1.086 150 H CB 0.107 29.779 29.762 -0.151 0.000 2.038 150 H HN 0.783 nan 8.280 nan 0.000 0.558 151 W N -3.050 117.689 121.300 -0.935 0.000 0.269 151 W HA -0.198 4.462 4.660 -0.000 0.000 0.214 151 W C -2.283 174.276 176.519 0.067 0.000 0.913 151 W CA 0.376 57.427 57.345 -0.490 0.000 0.324 151 W CB -2.636 26.543 29.460 -0.468 0.000 1.906 151 W HN 0.335 nan 8.180 nan 0.000 1.065 152 P HA 0.290 nan 4.420 nan 0.000 0.268 152 P C 0.131 177.713 177.300 0.469 0.000 1.204 152 P CA 0.653 64.006 63.100 0.421 0.000 0.768 152 P CB 0.327 32.155 31.700 0.213 0.000 0.842 153 L N 5.579 126.972 121.223 0.284 0.000 2.334 153 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 153 L C -2.200 174.528 176.870 -0.236 0.000 1.013 153 L CA -2.795 52.023 54.840 -0.036 0.000 0.816 153 L CB 1.731 43.651 42.059 -0.233 0.000 1.278 153 L HN 0.146 nan 8.230 nan 0.000 0.431 154 P HA -0.016 nan 4.420 nan 0.000 0.264 154 P C 0.808 177.821 177.300 -0.478 0.000 1.183 154 P CA 0.175 62.946 63.100 -0.550 0.000 0.763 154 P CB 0.603 31.661 31.700 -1.070 0.000 0.807 155 L N 3.105 124.220 121.223 -0.180 0.000 2.127 155 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 155 L C 2.107 178.932 176.870 -0.075 0.000 1.089 155 L CA 1.300 56.085 54.840 -0.091 0.000 0.757 155 L CB -0.587 41.479 42.059 0.013 0.000 0.899 155 L HN 0.643 nan 8.230 nan 0.000 0.434 156 W N -0.673 120.556 121.300 -0.118 0.000 2.525 156 W HA -0.125 4.535 4.660 -0.000 0.000 0.259 156 W C 1.332 177.764 176.519 -0.146 0.000 1.253 156 W CA 0.372 57.650 57.345 -0.112 0.000 1.262 156 W CB -0.696 28.705 29.460 -0.098 0.000 1.122 156 W HN 0.180 nan 8.180 nan 0.000 0.607 157 L N -0.482 120.318 121.223 -0.704 0.000 2.513 157 L HA 0.229 4.569 4.340 -0.000 0.000 0.222 157 L C 0.480 177.155 176.870 -0.325 0.000 1.096 157 L CA 0.593 55.034 54.840 -0.667 0.000 0.857 157 L CB -0.263 41.102 42.059 -1.157 0.000 1.026 157 L HN -0.004 nan 8.230 nan 0.000 0.469 158 H N -0.195 118.661 119.070 -0.357 0.000 3.224 158 H HA 0.111 4.667 4.556 -0.000 0.000 0.331 158 H C -1.552 173.691 175.328 -0.143 0.000 1.002 158 H CA -0.661 55.246 56.048 -0.236 0.000 1.473 158 H CB 1.603 31.205 29.762 -0.267 0.000 1.830 158 H HN -0.145 nan 8.280 nan 0.000 0.485 159 D N 7.545 127.863 120.400 -0.137 0.000 2.467 159 D HA 0.134 4.774 4.640 -0.000 0.000 0.220 159 D C -1.732 174.364 176.300 -0.340 0.000 1.103 159 D CA -2.482 51.397 54.000 -0.202 0.000 0.886 159 D CB 1.826 42.578 40.800 -0.079 0.000 1.025 159 D HN 0.350 nan 8.370 nan 0.000 0.514 160 P HA -0.064 nan 4.420 nan 0.000 0.222 160 P C 1.556 178.832 177.300 -0.041 0.000 1.153 160 P CA 0.192 62.992 63.100 -0.500 0.000 0.798 160 P CB 0.691 32.085 31.700 -0.510 0.000 0.796 161 I N 0.148 120.727 120.570 0.015 0.000 2.353 161 I HA -0.077 4.093 4.170 -0.000 0.000 0.248 161 I C 2.755 178.862 176.117 -0.017 0.000 1.119 161 I CA 0.935 62.262 61.300 0.044 0.000 1.417 161 I CB -1.349 36.648 38.000 -0.006 0.000 1.078 161 I HN -0.029 nan 8.210 nan 0.000 0.421 162 R N 0.650 121.112 120.500 -0.065 0.000 2.070 162 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 162 R C 2.413 178.596 176.300 -0.195 0.000 1.137 162 R CA 1.474 57.511 56.100 -0.106 0.000 0.945 162 R CB -0.117 30.122 30.300 -0.102 0.000 0.845 162 R HN 0.138 nan 8.270 nan 0.000 0.430 163 V N 0.825 120.609 119.914 -0.217 0.000 2.343 163 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 163 V C 2.486 178.458 176.094 -0.204 0.000 1.051 163 V CA 1.920 63.983 62.300 -0.395 0.000 1.036 163 V CB -0.644 31.087 31.823 -0.153 0.000 0.654 163 V HN 0.387 nan 8.190 nan 0.000 0.451 164 R N 0.294 120.815 120.500 0.035 0.000 2.103 164 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 164 R C 2.370 178.767 176.300 0.161 0.000 1.142 164 R CA 1.761 57.978 56.100 0.194 0.000 0.960 164 R CB -0.189 30.266 30.300 0.260 0.000 0.858 164 R HN 0.424 nan 8.270 nan 0.000 0.439 165 R N -1.042 119.482 120.500 0.039 0.000 2.339 165 R HA 0.005 4.345 4.340 -0.000 0.000 0.199 165 R C 0.941 177.258 176.300 0.029 0.000 1.018 165 R CA 0.616 56.731 56.100 0.025 0.000 1.036 165 R CB 0.209 30.497 30.300 -0.019 0.000 0.899 165 R HN 0.573 nan 8.270 nan 0.000 0.473 166 G N 1.525 110.299 108.800 -0.043 0.000 2.132 166 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.234 166 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.234 166 G C -0.601 174.119 174.900 -0.301 0.000 0.989 166 G CA 0.128 45.189 45.100 -0.064 0.000 0.676 166 G HN 0.383 nan 8.290 nan 0.000 0.522 167 D N -0.393 119.729 120.400 -0.462 0.000 2.329 167 D HA 0.569 5.209 4.640 -0.000 0.000 0.232 167 D C 0.510 176.497 176.300 -0.522 0.000 1.088 167 D CA -0.933 52.882 54.000 -0.309 0.000 0.835 167 D CB 0.181 40.889 40.800 -0.154 0.000 1.078 167 D HN 0.027 nan 8.370 nan 0.000 0.495 168 F N 1.356 121.271 119.950 -0.057 0.000 2.647 168 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 168 F C 2.156 177.938 175.800 -0.030 0.000 1.106 168 F CA -0.132 57.832 58.000 -0.060 0.000 1.313 168 F CB 0.467 39.410 39.000 -0.095 0.000 1.007 168 F HN 0.357 nan 8.300 nan 0.000 0.536 169 T N -2.967 111.631 114.554 0.074 0.000 3.107 169 T HA 0.361 4.711 4.350 -0.000 0.000 0.249 169 T C 1.088 175.809 174.700 0.035 0.000 1.096 169 T CA 0.278 62.412 62.100 0.056 0.000 1.012 169 T CB -0.131 68.759 68.868 0.036 0.000 0.977 169 T HN 0.159 nan 8.240 nan 0.000 0.527 170 G N 1.602 110.414 108.800 0.020 0.000 2.795 170 G HA2 0.626 4.586 3.960 -0.000 0.000 0.267 170 G HA3 0.626 4.586 3.960 -0.000 0.000 0.267 170 G C -2.878 172.043 174.900 0.035 0.000 1.362 170 G CA -1.969 43.142 45.100 0.018 0.000 1.048 170 G HN 0.118 nan 8.290 nan 0.000 0.547 171 P HA 0.165 nan 4.420 nan 0.000 0.266 171 P C 0.293 177.637 177.300 0.074 0.000 1.215 171 P CA 0.066 63.182 63.100 0.027 0.000 0.763 171 P CB 1.222 32.925 31.700 0.005 0.000 0.806 172 S N 1.863 117.585 115.700 0.037 0.000 2.602 172 S HA 0.430 4.900 4.470 -0.000 0.000 0.240 172 S C 1.162 175.648 174.600 -0.190 0.000 0.992 172 S CA 0.076 58.310 58.200 0.056 0.000 0.971 172 S CB -0.764 62.499 63.200 0.105 0.000 0.855 172 S HN 0.669 nan 8.310 nan 0.000 0.481 173 G N 1.933 110.512 108.800 -0.368 0.000 2.611 173 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.301 173 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.301 173 G C 0.349 174.937 174.900 -0.519 0.000 1.233 173 G CA 0.380 45.059 45.100 -0.702 0.000 0.993 173 G HN 0.581 nan 8.290 nan 0.000 0.553 174 W N 0.933 122.102 121.300 -0.220 0.000 2.632 174 W HA 0.303 4.963 4.660 -0.000 0.000 0.248 174 W C 2.376 178.848 176.519 -0.078 0.000 1.259 174 W CA 0.411 57.691 57.345 -0.108 0.000 1.288 174 W CB -0.218 29.204 29.460 -0.063 0.000 1.136 174 W HN 0.284 nan 8.180 nan 0.000 0.640 175 L N -0.276 120.976 121.223 0.049 0.000 2.599 175 L HA 0.067 4.407 4.340 -0.000 0.000 0.230 175 L C 1.218 178.113 176.870 0.041 0.000 1.141 175 L CA 0.310 55.162 54.840 0.019 0.000 0.877 175 L CB -0.394 41.660 42.059 -0.008 0.000 1.009 175 L HN -0.251 nan 8.230 nan 0.000 0.447 176 S N -0.821 114.902 115.700 0.038 0.000 2.454 176 S HA 0.213 4.683 4.470 -0.000 0.000 0.306 176 S C 1.218 175.898 174.600 0.133 0.000 1.100 176 S CA -0.457 57.782 58.200 0.065 0.000 1.087 176 S CB 1.353 64.567 63.200 0.022 0.000 1.019 176 S HN 0.315 nan 8.310 nan 0.000 0.480 177 T N 2.864 117.547 114.554 0.215 0.000 3.007 177 T HA -0.096 4.254 4.350 -0.000 0.000 0.270 177 T C 1.740 176.669 174.700 0.382 0.000 1.107 177 T CA 0.875 63.180 62.100 0.341 0.000 1.118 177 T CB -0.280 68.841 68.868 0.422 0.000 0.889 177 T HN 0.588 nan 8.240 nan 0.000 0.506 178 R N 1.725 122.415 120.500 0.316 0.000 2.081 178 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 178 R C 2.312 178.634 176.300 0.036 0.000 1.131 178 R CA 2.088 58.259 56.100 0.118 0.000 0.960 178 R CB -1.319 29.078 30.300 0.162 0.000 0.856 178 R HN 0.429 nan 8.270 nan 0.000 0.436 179 T N -0.103 114.432 114.554 -0.032 0.000 2.746 179 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 179 T C 1.809 176.546 174.700 0.062 0.000 1.039 179 T CA 1.469 63.467 62.100 -0.169 0.000 1.142 179 T CB -0.289 68.257 68.868 -0.538 0.000 0.866 179 T HN 0.029 nan 8.240 nan 0.000 0.444 180 V N 0.564 120.589 119.914 0.185 0.000 2.255 180 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 180 V C 2.008 178.244 176.094 0.237 0.000 1.051 180 V CA 1.832 64.325 62.300 0.323 0.000 1.018 180 V CB -0.778 31.225 31.823 0.300 0.000 0.641 180 V HN 0.510 nan 8.190 nan 0.000 0.445 181 Y N 1.159 121.444 120.300 -0.026 0.000 2.128 181 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 181 Y C 2.683 178.537 175.900 -0.077 0.000 1.154 181 Y CA 2.097 60.089 58.100 -0.181 0.000 1.149 181 Y CB -0.078 37.978 38.460 -0.674 0.000 0.976 181 Y HN 0.240 nan 8.280 nan 0.000 0.505 182 E N -0.371 119.866 120.200 0.060 0.000 2.150 182 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 182 E C 2.020 178.712 176.600 0.152 0.000 0.985 182 E CA 1.044 57.518 56.400 0.124 0.000 0.814 182 E CB -0.722 29.187 29.700 0.349 0.000 0.752 182 E HN 0.566 nan 8.360 nan 0.000 0.466 183 F N 1.706 121.682 119.950 0.044 0.000 2.146 183 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 183 F C 2.255 177.963 175.800 -0.153 0.000 1.096 183 F CA 1.198 59.076 58.000 -0.203 0.000 1.275 183 F CB -0.357 38.652 39.000 0.014 0.000 1.008 183 F HN -0.026 nan 8.300 nan 0.000 0.480 184 A N 0.456 123.150 122.820 -0.210 0.000 1.908 184 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 184 A C 2.323 179.680 177.584 -0.380 0.000 1.181 184 A CA 1.907 53.749 52.037 -0.325 0.000 0.627 184 A CB -0.703 18.168 19.000 -0.215 0.000 0.818 184 A HN 0.439 nan 8.150 nan 0.000 0.445 185 R N -2.017 118.262 120.500 -0.369 0.000 2.066 185 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 185 R C 1.971 178.150 176.300 -0.202 0.000 1.131 185 R CA 1.447 57.356 56.100 -0.317 0.000 0.955 185 R CB -0.525 29.544 30.300 -0.385 0.000 0.851 185 R HN 0.569 nan 8.270 nan 0.000 0.432 186 F N 1.389 121.105 119.950 -0.390 0.000 2.091 186 F HA -0.274 4.253 4.527 -0.000 0.000 0.299 186 F C 2.091 177.738 175.800 -0.254 0.000 1.103 186 F CA 1.868 59.664 58.000 -0.340 0.000 1.228 186 F CB -0.442 38.050 39.000 -0.846 0.000 0.984 186 F HN -0.110 nan 8.300 nan 0.000 0.477 187 S N 0.476 115.796 115.700 -0.632 0.000 2.368 187 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 187 S C 2.328 176.660 174.600 -0.447 0.000 1.030 187 S CA 1.004 58.807 58.200 -0.661 0.000 0.999 187 S CB -0.934 61.828 63.200 -0.730 0.000 0.844 187 S HN 0.559 nan 8.310 nan 0.000 0.459 188 A N 0.719 123.334 122.820 -0.341 0.000 1.877 188 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 188 A C 1.947 179.476 177.584 -0.093 0.000 1.186 188 A CA 1.558 53.450 52.037 -0.242 0.000 0.620 188 A CB -1.040 17.823 19.000 -0.229 0.000 0.822 188 A HN 0.552 nan 8.150 nan 0.000 0.443 189 Y N 0.753 120.969 120.300 -0.140 0.000 2.114 189 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 189 Y C 2.065 178.049 175.900 0.141 0.000 1.165 189 Y CA 1.857 60.009 58.100 0.086 0.000 1.148 189 Y CB -0.140 38.423 38.460 0.171 0.000 0.972 189 Y HN 0.249 nan 8.280 nan 0.000 0.504 190 I N 0.394 120.925 120.570 -0.065 0.000 2.179 190 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 190 I C 2.698 178.879 176.117 0.108 0.000 1.088 190 I CA 1.555 62.853 61.300 -0.003 0.000 1.357 190 I CB -2.025 35.843 38.000 -0.219 0.000 1.051 190 I HN 0.364 nan 8.210 nan 0.000 0.409 191 A N -0.296 122.492 122.820 -0.054 0.000 1.978 191 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 191 A C 2.207 179.838 177.584 0.078 0.000 1.170 191 A CA 1.629 53.639 52.037 -0.046 0.000 0.636 191 A CB -1.109 17.616 19.000 -0.459 0.000 0.810 191 A HN 0.604 nan 8.150 nan 0.000 0.448 192 W N 0.772 121.962 121.300 -0.184 0.000 2.407 192 W HA -0.039 4.621 4.660 -0.000 0.000 0.305 192 W C 1.866 178.232 176.519 -0.254 0.000 1.196 192 W CA 1.671 58.898 57.345 -0.198 0.000 1.311 192 W CB -0.008 29.321 29.460 -0.218 0.000 1.135 192 W HN 0.096 nan 8.180 nan 0.000 0.514 193 K N -0.631 119.535 120.400 -0.391 0.000 2.288 193 K HA -0.077 4.243 4.320 -0.000 0.000 0.201 193 K C 1.189 177.367 176.600 -0.703 0.000 1.048 193 K CA 1.124 56.959 56.287 -0.753 0.000 0.956 193 K CB -0.489 31.415 32.500 -0.992 0.000 0.746 193 K HN 0.235 nan 8.250 nan 0.000 0.461 194 F N -0.715 119.201 119.950 -0.058 0.000 2.817 194 F HA 0.097 4.624 4.527 -0.000 0.000 0.333 194 F C 1.457 177.279 175.800 0.036 0.000 1.085 194 F CA -0.643 57.381 58.000 0.039 0.000 1.170 194 F CB 0.212 39.291 39.000 0.131 0.000 1.066 194 F HN -0.105 nan 8.300 nan 0.000 0.564 195 D N 1.328 121.838 120.400 0.183 0.000 2.203 195 D HA -0.238 4.402 4.640 -0.000 0.000 0.199 195 D C 1.937 178.271 176.300 0.056 0.000 0.997 195 D CA 2.039 56.132 54.000 0.155 0.000 0.863 195 D CB -0.016 40.864 40.800 0.132 0.000 0.928 195 D HN 0.376 nan 8.370 nan 0.000 0.458 196 D N -0.232 120.191 120.400 0.037 0.000 2.218 196 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 196 D C 2.011 178.331 176.300 0.033 0.000 0.976 196 D CA 0.684 54.694 54.000 0.016 0.000 0.853 196 D CB -0.436 40.361 40.800 -0.004 0.000 0.939 196 D HN 0.378 nan 8.370 nan 0.000 0.481 197 L N 0.210 121.488 121.223 0.093 0.000 2.513 197 L HA 0.163 4.503 4.340 -0.000 0.000 0.222 197 L C 0.620 177.531 176.870 0.068 0.000 1.096 197 L CA -0.098 54.820 54.840 0.130 0.000 0.857 197 L CB 0.702 42.938 42.059 0.294 0.000 1.026 197 L HN -0.173 nan 8.230 nan 0.000 0.469 198 V N 0.467 120.315 119.914 -0.111 0.000 2.509 198 V HA 0.095 4.215 4.120 -0.000 0.000 0.284 198 V C 0.479 176.269 176.094 -0.507 0.000 1.047 198 V CA -0.247 61.766 62.300 -0.479 0.000 0.952 198 V CB 1.801 33.139 31.823 -0.808 0.000 0.988 198 V HN 0.155 nan 8.190 nan 0.000 0.469 199 D N 2.167 122.174 120.400 -0.655 0.000 2.269 199 D HA 0.125 4.765 4.640 -0.000 0.000 0.220 199 D C 0.395 176.355 176.300 -0.567 0.000 0.962 199 D CA 0.756 54.335 54.000 -0.702 0.000 0.884 199 D CB 0.933 40.910 40.800 -1.371 0.000 1.023 199 D HN 0.672 nan 8.370 nan 0.000 0.484 200 E N -0.724 119.109 120.200 -0.612 0.000 2.416 200 E HA 0.429 4.779 4.350 -0.000 0.000 0.273 200 E C -1.349 174.985 176.600 -0.443 0.000 0.935 200 E CA -0.699 55.491 56.400 -0.351 0.000 0.784 200 E CB 2.102 31.680 29.700 -0.204 0.000 1.301 200 E HN -0.067 nan 8.360 nan 0.000 0.454 201 Y N 0.093 120.469 120.300 0.126 0.000 2.468 201 Y HA 0.435 4.985 4.550 -0.000 0.000 0.342 201 Y C 0.128 176.227 175.900 0.331 0.000 1.021 201 Y CA -0.630 57.532 58.100 0.102 0.000 1.079 201 Y CB 2.366 40.834 38.460 0.014 0.000 1.226 201 Y HN 0.325 nan 8.280 nan 0.000 0.460 202 S N -0.015 115.910 115.700 0.376 0.000 2.500 202 S HA 0.300 4.770 4.470 -0.000 0.000 0.301 202 S C 0.773 175.516 174.600 0.237 0.000 1.092 202 S CA -0.087 58.252 58.200 0.232 0.000 1.030 202 S CB 0.965 64.289 63.200 0.207 0.000 1.031 202 S HN 0.846 nan 8.310 nan 0.000 0.483 203 T N 2.272 116.973 114.554 0.244 0.000 2.770 203 T HA 0.158 4.508 4.350 -0.000 0.000 0.263 203 T C 0.860 175.859 174.700 0.498 0.000 1.039 203 T CA 0.976 63.300 62.100 0.374 0.000 1.142 203 T CB -0.531 68.629 68.868 0.486 0.000 0.868 203 T HN 0.787 nan 8.240 nan 0.000 0.435 204 M N -0.380 119.422 119.600 0.337 0.000 2.644 204 M HA 0.600 5.080 4.480 -0.000 0.000 0.273 204 M C -1.881 174.496 176.300 0.129 0.000 1.253 204 M CA -1.094 54.399 55.300 0.321 0.000 0.852 204 M CB 1.955 34.758 32.600 0.338 0.000 1.708 204 M HN -0.055 nan 8.290 nan 0.000 0.471 205 N N 0.534 119.254 118.700 0.032 0.000 2.446 205 N HA 0.306 5.046 4.740 -0.000 0.000 0.265 205 N C -1.216 174.255 175.510 -0.065 0.000 0.975 205 N CA -0.004 52.943 53.050 -0.172 0.000 0.928 205 N CB 0.966 39.043 38.487 -0.684 0.000 1.160 205 N HN 0.832 nan 8.380 nan 0.000 0.495 206 E N 1.832 121.978 120.200 -0.089 0.000 2.230 206 E HA -0.157 4.192 4.350 -0.000 0.000 0.206 206 E C -1.787 174.714 176.600 -0.164 0.000 1.309 206 E CA 0.108 56.412 56.400 -0.160 0.000 0.697 206 E CB -0.620 29.085 29.700 0.010 0.000 1.146 206 E HN 0.674 nan 8.360 nan 0.000 0.363 207 P HA -0.225 nan 4.420 nan 0.000 0.219 207 P C 1.085 178.193 177.300 -0.319 0.000 1.146 207 P CA 1.509 64.461 63.100 -0.246 0.000 0.808 207 P CB -0.003 31.563 31.700 -0.223 0.000 0.779 208 N N 0.385 118.784 118.700 -0.502 0.000 2.289 208 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 208 N C 1.582 176.904 175.510 -0.315 0.000 1.016 208 N CA 1.089 53.912 53.050 -0.378 0.000 0.872 208 N CB -1.659 36.494 38.487 -0.556 0.000 0.973 208 N HN 0.085 nan 8.380 nan 0.000 0.433 209 V N 0.780 120.450 119.914 -0.407 0.000 2.407 209 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 209 V C 2.641 178.427 176.094 -0.514 0.000 1.041 209 V CA 0.813 62.825 62.300 -0.480 0.000 1.040 209 V CB -0.398 31.106 31.823 -0.532 0.000 0.671 209 V HN 0.098 nan 8.190 nan 0.000 0.455 210 V N 1.245 120.844 119.914 -0.525 0.000 2.282 210 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 210 V C 2.542 178.562 176.094 -0.124 0.000 1.057 210 V CA 2.478 64.556 62.300 -0.370 0.000 1.032 210 V CB -1.349 30.330 31.823 -0.241 0.000 0.645 210 V HN 0.615 nan 8.190 nan 0.000 0.447 211 G N -0.890 107.874 108.800 -0.061 0.000 2.453 211 G HA2 0.041 4.001 3.960 -0.000 0.000 0.215 211 G HA3 0.041 4.001 3.960 -0.000 0.000 0.215 211 G C 1.537 176.506 174.900 0.115 0.000 1.147 211 G CA 0.739 45.919 45.100 0.132 0.000 0.802 211 G HN 0.583 nan 8.290 nan 0.000 0.535 212 G N 0.753 109.530 108.800 -0.038 0.000 2.396 212 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.214 212 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.214 212 G C 1.702 176.529 174.900 -0.122 0.000 1.166 212 G CA 0.343 45.409 45.100 -0.057 0.000 0.793 212 G HN 0.366 nan 8.290 nan 0.000 0.533 213 L N 0.618 121.680 121.223 -0.268 0.000 2.209 213 L HA 0.133 4.473 4.340 -0.000 0.000 0.207 213 L C 3.088 179.803 176.870 -0.258 0.000 1.094 213 L CA 0.742 55.359 54.840 -0.371 0.000 0.790 213 L CB -0.481 41.078 42.059 -0.833 0.000 0.932 213 L HN 0.324 nan 8.230 nan 0.000 0.447 214 G N -0.604 108.040 108.800 -0.260 0.000 2.422 214 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 214 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 214 G C 1.024 175.553 174.900 -0.618 0.000 1.146 214 G CA 0.742 45.550 45.100 -0.486 0.000 0.769 214 G HN 0.389 nan 8.290 nan 0.000 0.547 215 Y N -1.730 118.568 120.300 -0.002 0.000 2.527 215 Y HA 0.405 4.955 4.550 -0.000 0.000 0.247 215 Y C 1.706 177.629 175.900 0.039 0.000 1.138 215 Y CA -0.300 57.836 58.100 0.059 0.000 1.228 215 Y CB 0.928 39.450 38.460 0.104 0.000 1.252 215 Y HN 0.040 nan 8.280 nan 0.000 0.531 216 V N -1.947 118.034 119.914 0.112 0.000 3.161 216 V HA 0.262 4.382 4.120 -0.000 0.000 0.221 216 V C 1.658 177.764 176.094 0.019 0.000 1.296 216 V CA 0.649 63.006 62.300 0.095 0.000 1.306 216 V CB -0.280 31.642 31.823 0.165 0.000 1.171 216 V HN 0.207 nan 8.190 nan 0.000 0.513 217 G N 1.581 110.360 108.800 -0.034 0.000 3.401 217 G HA2 0.277 4.237 3.960 -0.000 0.000 0.251 217 G HA3 0.277 4.237 3.960 -0.000 0.000 0.251 217 G C 1.109 175.969 174.900 -0.065 0.000 0.960 217 G CA 0.649 45.711 45.100 -0.065 0.000 1.900 217 G HN 0.471 nan 8.290 nan 0.000 0.645 218 V N -1.279 118.619 119.914 -0.027 0.000 2.913 218 V HA -0.025 4.095 4.120 -0.000 0.000 0.260 218 V C 2.220 178.346 176.094 0.052 0.000 1.098 218 V CA 1.312 63.614 62.300 0.002 0.000 1.121 218 V CB -0.355 31.467 31.823 -0.003 0.000 0.714 218 V HN 0.424 nan 8.190 nan 0.000 0.487 219 K N 0.964 121.388 120.400 0.040 0.000 2.439 219 K HA 0.037 4.357 4.320 -0.000 0.000 0.197 219 K C 2.149 178.815 176.600 0.109 0.000 1.041 219 K CA 1.122 57.451 56.287 0.071 0.000 0.970 219 K CB -0.179 32.354 32.500 0.055 0.000 0.773 219 K HN 0.512 nan 8.250 nan 0.000 0.479 220 S N 0.177 115.924 115.700 0.078 0.000 2.515 220 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 220 S C 1.164 175.995 174.600 0.386 0.000 0.987 220 S CA 0.806 59.082 58.200 0.126 0.000 0.936 220 S CB 0.003 63.099 63.200 -0.174 0.000 0.766 220 S HN 0.610 nan 8.310 nan 0.000 0.528 221 G N 1.161 110.178 108.800 0.363 0.000 2.221 221 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.265 221 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.265 221 G C -0.188 175.086 174.900 0.623 0.000 1.041 221 G CA -0.205 45.212 45.100 0.529 0.000 0.807 221 G HN 0.365 nan 8.290 nan 0.000 0.502 222 F N 1.368 121.282 119.950 -0.061 0.000 2.399 222 F HA 0.507 5.034 4.527 -0.000 0.000 0.334 222 F C -1.170 173.919 175.800 -1.185 0.000 1.097 222 F CA -2.936 54.746 58.000 -0.530 0.000 1.076 222 F CB 1.503 40.293 39.000 -0.350 0.000 1.162 222 F HN -0.074 nan 8.300 nan 0.000 0.495 223 P HA 0.119 nan 4.420 nan 0.000 0.275 223 P C -2.382 174.352 177.300 -0.943 0.000 1.228 223 P CA -1.335 60.539 63.100 -2.044 0.000 0.786 223 P CB 0.929 31.520 31.700 -1.848 0.000 0.927 224 P HA 0.058 nan 4.420 nan 0.000 0.255 224 P C 0.788 177.880 177.300 -0.347 0.000 1.248 224 P CA 0.486 63.241 63.100 -0.574 0.000 0.807 224 P CB -0.190 31.461 31.700 -0.083 0.000 1.150 225 G N 0.124 108.696 108.800 -0.381 0.000 2.246 225 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 225 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 225 G C -0.625 174.324 174.900 0.082 0.000 1.055 225 G CA -0.109 44.973 45.100 -0.030 0.000 0.851 225 G HN 0.482 nan 8.290 nan 0.000 0.500 226 Y N -0.119 120.151 120.300 -0.050 0.000 2.369 226 Y HA 0.593 5.143 4.550 -0.000 0.000 0.337 226 Y C 0.221 176.212 175.900 0.152 0.000 0.961 226 Y CA -1.629 56.538 58.100 0.111 0.000 1.186 226 Y CB 1.044 39.658 38.460 0.257 0.000 1.139 226 Y HN 0.249 nan 8.280 nan 0.000 0.494 227 L N 6.242 127.272 121.223 -0.321 0.000 2.385 227 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 227 L C -0.585 176.163 176.870 -0.203 0.000 1.106 227 L CA 0.428 55.148 54.840 -0.200 0.000 0.856 227 L CB 0.171 42.090 42.059 -0.235 0.000 1.186 227 L HN 0.593 nan 8.230 nan 0.000 0.453 228 S N 4.161 119.868 115.700 0.012 0.000 2.550 228 S HA 0.310 4.780 4.470 -0.000 0.000 0.274 228 S C 0.668 175.340 174.600 0.121 0.000 1.110 228 S CA -0.588 57.638 58.200 0.043 0.000 1.013 228 S CB 0.040 63.404 63.200 0.273 0.000 1.152 228 S HN 0.398 nan 8.310 nan 0.000 0.450 229 F N 2.687 122.647 119.950 0.018 0.000 2.120 229 F HA -0.026 4.501 4.527 -0.000 0.000 0.300 229 F C 2.444 178.219 175.800 -0.041 0.000 1.095 229 F CA 1.851 59.840 58.000 -0.019 0.000 1.249 229 F CB -0.535 38.439 39.000 -0.042 0.000 0.995 229 F HN 0.785 nan 8.300 nan 0.000 0.480 230 E N 0.416 120.703 120.200 0.146 0.000 2.047 230 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 230 E C 2.315 178.889 176.600 -0.044 0.000 0.987 230 E CA 0.957 57.373 56.400 0.027 0.000 0.799 230 E CB -0.205 29.493 29.700 -0.004 0.000 0.752 230 E HN 0.350 nan 8.360 nan 0.000 0.449 231 L N 0.460 121.648 121.223 -0.059 0.000 2.141 231 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 231 L C 2.759 179.405 176.870 -0.373 0.000 1.094 231 L CA 0.848 55.557 54.840 -0.218 0.000 0.763 231 L CB -0.464 41.487 42.059 -0.180 0.000 0.908 231 L HN 0.188 nan 8.230 nan 0.000 0.437 232 S N 0.110 115.713 115.700 -0.162 0.000 2.348 232 S HA -0.195 4.275 4.470 -0.000 0.000 0.221 232 S C 2.135 176.702 174.600 -0.054 0.000 1.033 232 S CA 1.325 59.486 58.200 -0.066 0.000 1.010 232 S CB -0.045 63.232 63.200 0.127 0.000 0.891 232 S HN 0.331 nan 8.310 nan 0.000 0.442 233 R N 0.444 120.918 120.500 -0.043 0.000 2.091 233 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 233 R C 2.736 179.036 176.300 -0.000 0.000 1.136 233 R CA 1.664 57.739 56.100 -0.042 0.000 0.959 233 R CB -0.375 29.881 30.300 -0.073 0.000 0.856 233 R HN 0.415 nan 8.270 nan 0.000 0.437 234 R N 0.679 121.149 120.500 -0.051 0.000 2.073 234 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 234 R C 2.171 178.498 176.300 0.044 0.000 1.134 234 R CA 1.598 57.689 56.100 -0.015 0.000 0.952 234 R CB -0.270 29.980 30.300 -0.083 0.000 0.850 234 R HN 0.232 nan 8.270 nan 0.000 0.433 235 A N 1.042 123.827 122.820 -0.060 0.000 1.908 235 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 235 A C 2.166 179.795 177.584 0.076 0.000 1.181 235 A CA 1.538 53.587 52.037 0.019 0.000 0.627 235 A CB -0.364 18.603 19.000 -0.055 0.000 0.818 235 A HN 0.295 nan 8.150 nan 0.000 0.445 236 M N -2.130 117.536 119.600 0.109 0.000 2.175 236 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 236 M C 2.121 178.566 176.300 0.241 0.000 1.063 236 M CA 1.232 56.660 55.300 0.214 0.000 1.119 236 M CB -1.498 31.328 32.600 0.378 0.000 1.377 236 M HN 0.610 nan 8.290 nan 0.000 0.415 237 Y N 1.930 122.296 120.300 0.110 0.000 2.145 237 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 237 Y C 2.165 178.104 175.900 0.065 0.000 1.145 237 Y CA 1.782 59.934 58.100 0.087 0.000 1.148 237 Y CB -0.384 38.109 38.460 0.055 0.000 0.981 237 Y HN 0.291 nan 8.280 nan 0.000 0.507 238 N N 0.477 119.279 118.700 0.171 0.000 2.104 238 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 238 N C 1.922 177.459 175.510 0.044 0.000 1.024 238 N CA 1.977 55.110 53.050 0.138 0.000 0.853 238 N CB -0.490 38.160 38.487 0.271 0.000 1.008 238 N HN 0.454 nan 8.380 nan 0.000 0.424 239 I N 0.592 121.102 120.570 -0.100 0.000 2.315 239 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 239 I C 1.996 177.998 176.117 -0.191 0.000 1.117 239 I CA 0.677 61.736 61.300 -0.402 0.000 1.404 239 I CB -0.142 37.524 38.000 -0.557 0.000 1.071 239 I HN 0.047 nan 8.210 nan 0.000 0.419 240 I N 0.427 120.910 120.570 -0.145 0.000 2.142 240 I HA -0.335 3.835 4.170 -0.000 0.000 0.240 240 I C 2.675 178.673 176.117 -0.198 0.000 1.078 240 I CA 1.575 62.718 61.300 -0.261 0.000 1.343 240 I CB -0.387 37.380 38.000 -0.389 0.000 1.046 240 I HN 0.294 nan 8.210 nan 0.000 0.405 241 Q N 0.488 120.156 119.800 -0.221 0.000 2.096 241 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 241 Q C 2.445 178.439 176.000 -0.010 0.000 0.982 241 Q CA 1.835 57.550 55.803 -0.147 0.000 0.850 241 Q CB -0.406 28.247 28.738 -0.142 0.000 0.901 241 Q HN 0.602 nan 8.270 nan 0.000 0.422 242 A N 0.820 123.684 122.820 0.074 0.000 1.940 242 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 242 A C 1.831 179.570 177.584 0.260 0.000 1.176 242 A CA 1.957 54.142 52.037 0.247 0.000 0.631 242 A CB -0.800 18.401 19.000 0.336 0.000 0.814 242 A HN 0.513 nan 8.150 nan 0.000 0.446 243 H N 0.008 119.113 119.070 0.058 0.000 2.321 243 H HA 0.040 4.596 4.556 -0.000 0.000 0.300 243 H C 2.143 177.486 175.328 0.026 0.000 1.087 243 H CA 2.126 58.214 56.048 0.065 0.000 1.319 243 H CB -0.366 29.364 29.762 -0.054 0.000 1.379 243 H HN 0.357 nan 8.280 nan 0.000 0.501 244 A N 1.268 123.950 122.820 -0.230 0.000 1.877 244 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 244 A C 2.376 179.867 177.584 -0.155 0.000 1.186 244 A CA 1.620 53.495 52.037 -0.270 0.000 0.620 244 A CB -0.349 18.545 19.000 -0.176 0.000 0.822 244 A HN 0.402 nan 8.150 nan 0.000 0.443 245 R N -0.274 120.176 120.500 -0.084 0.000 2.115 245 R HA -0.012 4.328 4.340 -0.000 0.000 0.230 245 R C 2.283 178.514 176.300 -0.115 0.000 1.111 245 R CA 1.291 57.353 56.100 -0.063 0.000 0.976 245 R CB -1.081 29.209 30.300 -0.016 0.000 0.870 245 R HN 0.541 nan 8.270 nan 0.000 0.445 246 A N 0.354 123.098 122.820 -0.127 0.000 1.897 246 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 246 A C 2.056 179.503 177.584 -0.228 0.000 1.181 246 A CA 0.842 52.736 52.037 -0.238 0.000 0.620 246 A CB -0.675 18.182 19.000 -0.238 0.000 0.821 246 A HN 0.343 nan 8.150 nan 0.000 0.443 247 Y N 1.446 121.528 120.300 -0.363 0.000 2.070 247 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 247 Y C 1.991 177.753 175.900 -0.229 0.000 1.148 247 Y CA 2.360 60.268 58.100 -0.321 0.000 1.125 247 Y CB -0.297 37.914 38.460 -0.415 0.000 0.975 247 Y HN 0.360 nan 8.280 nan 0.000 0.492 248 D N -0.292 120.121 120.400 0.021 0.000 2.133 248 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 248 D C 2.357 178.560 176.300 -0.161 0.000 0.997 248 D CA 1.619 55.590 54.000 -0.048 0.000 0.840 248 D CB -1.052 39.742 40.800 -0.009 0.000 0.947 248 D HN 0.572 nan 8.370 nan 0.000 0.452 249 G N 0.629 109.313 108.800 -0.193 0.000 2.446 249 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 249 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 249 G C 1.821 176.557 174.900 -0.274 0.000 1.168 249 G CA 0.485 45.446 45.100 -0.231 0.000 0.771 249 G HN 0.284 nan 8.290 nan 0.000 0.551 250 I N 0.203 120.563 120.570 -0.350 0.000 2.252 250 I HA -0.081 4.089 4.170 -0.000 0.000 0.245 250 I C 2.532 178.435 176.117 -0.357 0.000 1.102 250 I CA 0.859 61.899 61.300 -0.433 0.000 1.385 250 I CB -0.013 37.621 38.000 -0.609 0.000 1.064 250 I HN -0.037 nan 8.210 nan 0.000 0.414 251 K N 0.663 120.844 120.400 -0.366 0.000 2.362 251 K HA -0.066 4.254 4.320 -0.000 0.000 0.200 251 K C 2.154 178.652 176.600 -0.169 0.000 1.046 251 K CA 1.416 57.531 56.287 -0.287 0.000 0.952 251 K CB -0.445 31.840 32.500 -0.358 0.000 0.753 251 K HN 0.420 nan 8.250 nan 0.000 0.466 252 S N 0.109 115.711 115.700 -0.164 0.000 2.515 252 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 252 S C 1.745 176.286 174.600 -0.097 0.000 0.987 252 S CA 0.881 59.010 58.200 -0.118 0.000 0.936 252 S CB -0.212 62.913 63.200 -0.125 0.000 0.766 252 S HN 0.096 nan 8.310 nan 0.000 0.528 253 V N -3.295 116.556 119.914 -0.105 0.000 3.562 253 V HA 0.528 4.648 4.120 -0.000 0.000 0.270 253 V C 0.361 176.449 176.094 -0.011 0.000 1.418 253 V CA 0.106 62.385 62.300 -0.036 0.000 1.033 253 V CB 0.099 31.920 31.823 -0.004 0.000 0.820 253 V HN 0.366 nan 8.190 nan 0.000 0.441 254 S N -0.246 115.419 115.700 -0.057 0.000 2.549 254 S HA 0.570 5.040 4.470 -0.000 0.000 0.280 254 S C -0.016 174.576 174.600 -0.013 0.000 1.109 254 S CA -0.564 57.633 58.200 -0.005 0.000 0.905 254 S CB 2.324 65.542 63.200 0.029 0.000 1.081 254 S HN 0.312 nan 8.310 nan 0.000 0.477 255 K N 1.398 121.814 120.400 0.027 0.000 2.404 255 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 255 K C 0.121 176.759 176.600 0.064 0.000 1.023 255 K CA 0.196 56.501 56.287 0.030 0.000 1.094 255 K CB 0.227 32.746 32.500 0.033 0.000 0.841 255 K HN 0.401 nan 8.250 nan 0.000 0.523 256 K N 1.445 121.909 120.400 0.106 0.000 2.168 256 K HA 0.142 4.462 4.320 -0.000 0.000 0.258 256 K C -2.571 174.152 176.600 0.204 0.000 1.010 256 K CA -1.909 54.464 56.287 0.142 0.000 0.929 256 K CB 0.314 32.892 32.500 0.129 0.000 0.998 256 K HN -0.205 nan 8.250 nan 0.000 0.479 257 P HA 0.046 nan 4.420 nan 0.000 0.271 257 P C -1.148 176.457 177.300 0.508 0.000 1.216 257 P CA -0.253 63.081 63.100 0.390 0.000 0.776 257 P CB 0.659 32.651 31.700 0.486 0.000 0.881 258 V N 2.728 122.909 119.914 0.444 0.000 2.483 258 V HA 0.738 4.858 4.120 -0.000 0.000 0.297 258 V C 0.635 176.826 176.094 0.162 0.000 1.027 258 V CA -0.172 62.329 62.300 0.335 0.000 0.855 258 V CB 1.469 33.285 31.823 -0.011 0.000 0.995 258 V HN 0.810 nan 8.190 nan 0.000 0.424 259 G N 3.497 112.123 108.800 -0.291 0.000 3.243 259 G HA2 0.877 4.837 3.960 -0.000 0.000 0.248 259 G HA3 0.877 4.837 3.960 -0.000 0.000 0.248 259 G C -1.357 173.193 174.900 -0.583 0.000 1.267 259 G CA -0.588 43.910 45.100 -1.002 0.000 0.906 259 G HN 0.621 nan 8.290 nan 0.000 0.592 260 I N -0.894 119.238 120.570 -0.730 0.000 3.006 260 I HA 0.573 4.743 4.170 -0.000 0.000 0.306 260 I C -1.517 174.439 176.117 -0.269 0.000 1.250 260 I CA -1.197 59.890 61.300 -0.354 0.000 0.996 260 I CB 2.563 40.347 38.000 -0.361 0.000 1.261 260 I HN 0.332 nan 8.210 nan 0.000 0.442 261 I N 5.192 125.718 120.570 -0.073 0.000 2.433 261 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 261 I C -1.585 174.586 176.117 0.090 0.000 1.001 261 I CA -0.561 60.760 61.300 0.034 0.000 1.119 261 I CB 1.883 39.915 38.000 0.054 0.000 1.289 261 I HN 0.396 nan 8.210 nan 0.000 0.438 262 Y N 4.500 124.796 120.300 -0.006 0.000 2.524 262 Y HA 0.715 5.265 4.550 -0.000 0.000 0.347 262 Y C -0.287 175.632 175.900 0.032 0.000 1.005 262 Y CA -0.922 57.165 58.100 -0.021 0.000 1.025 262 Y CB 1.988 40.537 38.460 0.148 0.000 1.275 262 Y HN 0.588 nan 8.280 nan 0.000 0.460 263 A N 5.045 127.666 122.820 -0.330 0.000 2.362 263 A HA 0.463 4.783 4.320 -0.000 0.000 0.276 263 A C -0.829 176.754 177.584 -0.002 0.000 1.153 263 A CA -0.381 51.554 52.037 -0.169 0.000 0.813 263 A CB -0.106 18.709 19.000 -0.307 0.000 1.081 263 A HN 0.740 nan 8.150 nan 0.000 0.507 264 N N 1.209 119.976 118.700 0.112 0.000 2.238 264 N HA 0.498 5.238 4.740 -0.000 0.000 0.302 264 N C -1.078 174.457 175.510 0.042 0.000 1.072 264 N CA -0.373 52.781 53.050 0.174 0.000 0.792 264 N CB 2.237 40.926 38.487 0.337 0.000 1.425 264 N HN 0.513 nan 8.380 nan 0.000 0.478 265 S N -0.057 115.569 115.700 -0.124 0.000 2.568 265 S HA 0.356 4.826 4.470 -0.000 0.000 0.302 265 S C -0.097 174.335 174.600 -0.280 0.000 1.082 265 S CA -0.693 57.333 58.200 -0.290 0.000 1.009 265 S CB 1.862 64.688 63.200 -0.624 0.000 1.069 265 S HN 0.480 nan 8.310 nan 0.000 0.500 266 S N 1.810 117.506 115.700 -0.006 0.000 2.411 266 S HA 0.493 4.963 4.470 -0.000 0.000 0.294 266 S C -0.907 173.583 174.600 -0.183 0.000 1.115 266 S CA -0.624 57.587 58.200 0.017 0.000 1.071 266 S CB -0.616 62.743 63.200 0.266 0.000 0.967 266 S HN 0.391 nan 8.310 nan 0.000 0.488 267 F N 4.064 124.016 119.950 0.003 0.000 2.427 267 F HA 0.440 4.967 4.527 -0.000 0.000 0.352 267 F C 1.073 176.838 175.800 -0.058 0.000 1.100 267 F CA -0.142 57.824 58.000 -0.057 0.000 1.191 267 F CB 0.906 39.843 39.000 -0.105 0.000 1.128 267 F HN 0.395 nan 8.300 nan 0.000 0.533 268 Q N 4.593 124.417 119.800 0.041 0.000 2.372 268 Q HA 0.371 4.711 4.340 -0.000 0.000 0.273 268 Q C -2.741 173.226 176.000 -0.056 0.000 1.078 268 Q CA -2.186 53.601 55.803 -0.027 0.000 0.806 268 Q CB 2.588 31.231 28.738 -0.158 0.000 1.332 268 Q HN 0.247 nan 8.270 nan 0.000 0.435 269 P HA 0.073 nan 4.420 nan 0.000 0.280 269 P C 0.582 177.828 177.300 -0.090 0.000 1.244 269 P CA -0.433 62.639 63.100 -0.046 0.000 0.784 269 P CB 1.042 32.733 31.700 -0.015 0.000 0.913 270 L N 3.379 124.541 121.223 -0.102 0.000 1.989 270 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 270 L C 1.034 177.871 176.870 -0.056 0.000 1.071 270 L CA 2.490 57.255 54.840 -0.123 0.000 0.749 270 L CB -0.949 41.058 42.059 -0.087 0.000 0.890 270 L HN 0.584 nan 8.230 nan 0.000 0.431 271 T N -4.635 109.904 114.554 -0.024 0.000 2.888 271 T HA 0.349 4.699 4.350 -0.000 0.000 0.288 271 T C 0.391 175.092 174.700 0.001 0.000 1.063 271 T CA -0.048 62.050 62.100 -0.003 0.000 1.010 271 T CB 1.073 69.945 68.868 0.007 0.000 1.214 271 T HN 0.264 nan 8.240 nan 0.000 0.533 272 D N -0.736 119.669 120.400 0.010 0.000 2.392 272 D HA -0.040 4.600 4.640 -0.000 0.000 0.228 272 D C 1.380 177.686 176.300 0.009 0.000 1.003 272 D CA 0.357 54.365 54.000 0.012 0.000 0.917 272 D CB -0.319 40.490 40.800 0.016 0.000 0.890 272 D HN 0.518 nan 8.370 nan 0.000 0.532 273 K N -0.705 119.700 120.400 0.008 0.000 2.437 273 K HA 0.134 4.454 4.320 -0.000 0.000 0.198 273 K C 0.283 176.886 176.600 0.005 0.000 1.024 273 K CA -0.105 56.186 56.287 0.008 0.000 1.148 273 K CB -0.492 32.014 32.500 0.010 0.000 0.860 273 K HN 0.191 nan 8.250 nan 0.000 0.515 274 D N 0.213 120.613 120.400 0.001 0.000 2.501 274 D HA 0.220 4.860 4.640 -0.000 0.000 0.224 274 D C 1.028 177.319 176.300 -0.014 0.000 1.202 274 D CA -0.155 53.843 54.000 -0.004 0.000 0.829 274 D CB 0.521 41.316 40.800 -0.007 0.000 1.023 274 D HN 0.151 nan 8.370 nan 0.000 0.499 275 M N 0.478 120.073 119.600 -0.008 0.000 2.159 275 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 275 M C 2.050 178.334 176.300 -0.027 0.000 1.063 275 M CA 1.282 56.576 55.300 -0.010 0.000 1.110 275 M CB -0.662 31.940 32.600 0.003 0.000 1.374 275 M HN 0.113 nan 8.290 nan 0.000 0.411 276 E N 0.131 120.316 120.200 -0.026 0.000 2.106 276 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 276 E C 1.973 178.522 176.600 -0.085 0.000 0.984 276 E CA 1.204 57.581 56.400 -0.038 0.000 0.806 276 E CB 0.084 29.773 29.700 -0.017 0.000 0.750 276 E HN 0.423 nan 8.360 nan 0.000 0.458 277 A N 0.444 123.214 122.820 -0.084 0.000 1.908 277 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 277 A C 2.391 179.765 177.584 -0.349 0.000 1.181 277 A CA 1.514 53.449 52.037 -0.170 0.000 0.627 277 A CB -0.749 18.227 19.000 -0.039 0.000 0.818 277 A HN 0.231 nan 8.150 nan 0.000 0.445 278 V N 0.092 119.890 119.914 -0.194 0.000 2.255 278 V HA -0.315 3.804 4.120 -0.000 0.000 0.247 278 V C 2.448 178.401 176.094 -0.235 0.000 1.051 278 V CA 2.428 64.627 62.300 -0.169 0.000 1.018 278 V CB -0.923 30.880 31.823 -0.032 0.000 0.641 278 V HN 0.660 nan 8.190 nan 0.000 0.445 279 E N -0.397 119.719 120.200 -0.140 0.000 2.070 279 E HA -0.297 4.053 4.350 -0.000 0.000 0.197 279 E C 2.212 178.712 176.600 -0.167 0.000 1.004 279 E CA 1.931 58.280 56.400 -0.085 0.000 0.805 279 E CB -0.286 29.398 29.700 -0.027 0.000 0.744 279 E HN 0.553 nan 8.360 nan 0.000 0.451 280 M N 0.322 119.764 119.600 -0.264 0.000 2.117 280 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 280 M C 2.520 178.485 176.300 -0.558 0.000 1.065 280 M CA 1.517 56.630 55.300 -0.311 0.000 1.114 280 M CB -0.290 32.156 32.600 -0.255 0.000 1.361 280 M HN 0.128 nan 8.290 nan 0.000 0.408 281 A N 0.369 122.579 122.820 -1.018 0.000 1.902 281 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 281 A C 1.946 178.923 177.584 -1.011 0.000 1.181 281 A CA 1.810 53.127 52.037 -1.200 0.000 0.623 281 A CB -0.676 17.419 19.000 -1.508 0.000 0.818 281 A HN 0.542 nan 8.150 nan 0.000 0.443 282 E N -0.059 119.684 120.200 -0.762 0.000 2.077 282 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 282 E C 1.823 178.144 176.600 -0.465 0.000 0.989 282 E CA 1.044 57.073 56.400 -0.619 0.000 0.800 282 E CB -0.191 29.249 29.700 -0.434 0.000 0.746 282 E HN 0.554 nan 8.360 nan 0.000 0.452 283 N N 1.321 119.959 118.700 -0.104 0.000 2.043 283 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 283 N C 1.355 176.993 175.510 0.213 0.000 1.037 283 N CA 1.325 54.480 53.050 0.175 0.000 0.851 283 N CB -0.359 38.226 38.487 0.163 0.000 1.027 283 N HN 0.150 nan 8.380 nan 0.000 0.422 284 D N 0.258 120.693 120.400 0.057 0.000 2.269 284 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 284 D C 1.056 177.483 176.300 0.211 0.000 0.963 284 D CA 0.680 54.715 54.000 0.058 0.000 0.864 284 D CB -0.122 40.685 40.800 0.013 0.000 0.936 284 D HN 0.320 nan 8.370 nan 0.000 0.505 285 N N -0.537 118.288 118.700 0.207 0.000 2.273 285 N HA 0.086 4.826 4.740 -0.000 0.000 0.192 285 N C 1.443 177.215 175.510 0.438 0.000 1.132 285 N CA 0.050 53.306 53.050 0.345 0.000 0.887 285 N CB 1.722 40.350 38.487 0.234 0.000 1.048 285 N HN 0.129 nan 8.380 nan 0.000 0.490 286 R N -0.608 120.009 120.500 0.196 0.000 3.749 286 R HA 0.137 4.477 4.340 -0.000 0.000 0.142 286 R C 1.073 177.425 176.300 0.087 0.000 0.750 286 R CA -0.094 55.992 56.100 -0.025 0.000 1.004 286 R CB -0.277 29.688 30.300 -0.559 0.000 1.509 286 R HN -0.014 nan 8.270 nan 0.000 0.494 287 W N 1.829 123.230 121.300 0.169 0.000 2.363 287 W HA -0.182 4.478 4.660 -0.000 0.000 0.296 287 W C 2.086 178.702 176.519 0.162 0.000 1.212 287 W CA 0.376 57.827 57.345 0.176 0.000 1.260 287 W CB -0.349 29.172 29.460 0.101 0.000 1.131 287 W HN 0.407 nan 8.180 nan 0.000 0.530 288 W N 0.299 121.803 121.300 0.339 0.000 2.342 288 W HA -0.255 4.405 4.660 -0.000 0.000 0.297 288 W C 1.770 178.395 176.519 0.176 0.000 1.213 288 W CA 1.034 58.507 57.345 0.214 0.000 1.251 288 W CB -1.885 27.667 29.460 0.152 0.000 1.136 288 W HN 0.035 nan 8.180 nan 0.000 0.526 289 F N 0.607 119.743 119.950 -1.356 0.000 2.149 289 F HA 0.003 4.530 4.527 -0.000 0.000 0.294 289 F C 2.213 177.512 175.800 -0.834 0.000 1.095 289 F CA 1.657 58.748 58.000 -1.515 0.000 1.276 289 F CB -0.953 37.045 39.000 -1.670 0.000 1.023 289 F HN -0.284 nan 8.300 nan 0.000 0.480 290 F N 0.772 120.560 119.950 -0.270 0.000 2.259 290 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 290 F C 2.137 177.760 175.800 -0.294 0.000 1.088 290 F CA 1.133 58.964 58.000 -0.281 0.000 1.358 290 F CB -0.632 38.306 39.000 -0.103 0.000 1.040 290 F HN -0.072 nan 8.300 nan 0.000 0.505 291 D N 0.283 120.749 120.400 0.111 0.000 2.182 291 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 291 D C 2.311 178.559 176.300 -0.086 0.000 0.986 291 D CA 1.324 55.371 54.000 0.077 0.000 0.847 291 D CB -0.502 40.392 40.800 0.158 0.000 0.942 291 D HN 0.249 nan 8.370 nan 0.000 0.467 292 A N 0.963 123.655 122.820 -0.213 0.000 1.873 292 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 292 A C 2.230 179.612 177.584 -0.336 0.000 1.186 292 A CA 1.365 53.239 52.037 -0.272 0.000 0.616 292 A CB -0.662 18.121 19.000 -0.361 0.000 0.823 292 A HN 0.418 nan 8.150 nan 0.000 0.442 293 I N -4.226 116.053 120.570 -0.485 0.000 3.728 293 I HA 0.240 4.410 4.170 -0.000 0.000 0.307 293 I C 1.601 177.524 176.117 -0.322 0.000 1.276 293 I CA 0.486 61.533 61.300 -0.421 0.000 1.285 293 I CB 0.049 37.723 38.000 -0.544 0.000 1.038 293 I HN 0.182 nan 8.210 nan 0.000 0.445 294 I N 0.854 121.248 120.570 -0.294 0.000 2.947 294 I HA 0.110 4.279 4.170 -0.000 0.000 0.263 294 I C 2.189 178.219 176.117 -0.146 0.000 1.130 294 I CA 0.357 61.514 61.300 -0.239 0.000 1.448 294 I CB 0.048 37.843 38.000 -0.342 0.000 1.222 294 I HN 0.015 nan 8.210 nan 0.000 0.453 295 R N 0.730 121.166 120.500 -0.106 0.000 2.362 295 R HA 0.251 4.591 4.340 -0.000 0.000 0.227 295 R C 1.344 177.608 176.300 -0.061 0.000 0.905 295 R CA 0.609 56.679 56.100 -0.051 0.000 1.067 295 R CB 0.642 30.945 30.300 0.005 0.000 1.078 295 R HN 0.437 nan 8.270 nan 0.000 0.516 296 G N 1.782 110.523 108.800 -0.097 0.000 2.196 296 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.268 296 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.268 296 G C -0.200 174.669 174.900 -0.050 0.000 0.975 296 G CA 0.325 45.373 45.100 -0.087 0.000 0.648 296 G HN 0.433 nan 8.290 nan 0.000 0.538 297 E N -0.028 120.154 120.200 -0.030 0.000 2.265 297 E HA 0.566 4.916 4.350 -0.000 0.000 0.272 297 E C 0.147 176.767 176.600 0.035 0.000 1.067 297 E CA 0.080 56.486 56.400 0.010 0.000 0.900 297 E CB 1.193 30.910 29.700 0.028 0.000 1.017 297 E HN 0.494 nan 8.360 nan 0.000 0.431 298 I N 1.520 122.125 120.570 0.060 0.000 3.191 298 I HA 0.267 4.437 4.170 -0.000 0.000 0.313 298 I C -0.927 175.258 176.117 0.114 0.000 1.193 298 I CA -0.538 60.831 61.300 0.115 0.000 0.968 298 I CB 2.686 40.768 38.000 0.137 0.000 1.262 298 I HN 0.270 nan 8.210 nan 0.000 0.456 299 T N 4.210 118.846 114.554 0.137 0.000 2.786 299 T HA 0.428 4.778 4.350 -0.000 0.000 0.283 299 T C 0.218 174.949 174.700 0.050 0.000 0.992 299 T CA -0.342 61.802 62.100 0.073 0.000 0.954 299 T CB 1.779 70.672 68.868 0.041 0.000 0.934 299 T HN 0.592 nan 8.240 nan 0.000 0.440 300 R N 2.686 123.180 120.500 -0.009 0.000 1.835 300 R HA 0.466 4.806 4.340 -0.000 0.000 0.162 300 R C 1.117 177.318 176.300 -0.164 0.000 1.911 300 R CA 0.023 56.036 56.100 -0.144 0.000 1.491 300 R CB -0.292 29.965 30.300 -0.071 0.000 1.166 300 R HN 0.683 nan 8.270 nan 0.000 0.478 301 G N 0.375 109.110 108.800 -0.109 0.000 2.403 301 G HA2 0.182 4.142 3.960 -0.000 0.000 0.259 301 G HA3 0.182 4.142 3.960 -0.000 0.000 0.259 301 G C -0.296 174.573 174.900 -0.051 0.000 1.244 301 G CA 0.288 45.341 45.100 -0.078 0.000 0.849 301 G HN 0.725 nan 8.290 nan 0.000 0.532 302 N N -1.099 117.575 118.700 -0.044 0.000 2.938 302 N HA -0.145 4.595 4.740 -0.000 0.000 0.195 302 N C 0.458 175.952 175.510 -0.027 0.000 0.990 302 N CA 2.368 55.393 53.050 -0.042 0.000 1.020 302 N CB -1.227 37.231 38.487 -0.047 0.000 0.986 302 N HN 1.090 nan 8.380 nan 0.000 0.575 303 E N 0.348 120.537 120.200 -0.019 0.000 2.336 303 E HA 0.699 5.049 4.350 -0.000 0.000 0.267 303 E C -0.510 176.093 176.600 0.006 0.000 0.906 303 E CA -0.454 55.941 56.400 -0.007 0.000 0.781 303 E CB 1.169 nan 29.700 nan 0.000 1.261 303 E HN 0.323 nan 8.360 nan 0.000 0.436 304 K N 1.637 122.044 120.400 0.011 0.000 2.284 304 K HA 0.441 4.761 4.320 -0.000 0.000 0.287 304 K C -0.273 176.339 176.600 0.021 0.000 1.081 304 K CA -0.364 55.937 56.287 0.023 0.000 0.910 304 K CB -0.567 31.947 32.500 0.023 0.000 1.088 304 K HN 0.739 nan 8.250 nan 0.000 0.478 305 I N 0.508 121.096 120.570 0.029 0.000 3.023 305 I HA 0.639 4.809 4.170 -0.000 0.000 0.312 305 I C -1.087 175.043 176.117 0.021 0.000 1.056 305 I CA -1.323 59.992 61.300 0.023 0.000 1.033 305 I CB 2.159 40.176 38.000 0.027 0.000 1.233 305 I HN 0.152 nan 8.210 nan 0.000 0.462 306 V N 3.210 123.131 119.914 0.011 0.000 2.378 306 V HA 0.478 4.598 4.120 -0.000 0.000 0.288 306 V C -0.053 176.040 176.094 -0.003 0.000 1.016 306 V CA -0.504 61.796 62.300 -0.000 0.000 0.840 306 V CB 1.174 32.992 31.823 -0.007 0.000 0.994 306 V HN 0.648 nan 8.190 nan 0.000 0.431 307 R N 2.972 123.465 120.500 -0.010 0.000 2.229 307 R HA 0.310 4.650 4.340 -0.000 0.000 0.328 307 R C 0.237 176.516 176.300 -0.035 0.000 1.009 307 R CA -0.498 55.593 56.100 -0.015 0.000 0.864 307 R CB 1.113 31.404 30.300 -0.014 0.000 1.085 307 R HN 0.692 nan 8.270 nan 0.000 0.453 308 D N 1.783 122.167 120.400 -0.027 0.000 2.312 308 D HA -0.148 4.492 4.640 -0.000 0.000 0.211 308 D C 0.889 177.163 176.300 -0.043 0.000 0.964 308 D CA 1.071 55.052 54.000 -0.033 0.000 0.877 308 D CB 0.286 41.074 40.800 -0.020 0.000 0.924 308 D HN 0.651 nan 8.370 nan 0.000 0.515 309 D N 0.435 120.810 120.400 -0.041 0.000 2.355 309 D HA -0.076 4.564 4.640 -0.000 0.000 0.218 309 D C 1.928 178.176 176.300 -0.087 0.000 1.004 309 D CA 0.143 54.114 54.000 -0.049 0.000 0.880 309 D CB 0.030 40.812 40.800 -0.030 0.000 0.911 309 D HN 0.266 nan 8.370 nan 0.000 0.528 310 L N -0.284 120.876 121.223 -0.105 0.000 2.425 310 L HA 0.124 4.464 4.340 -0.000 0.000 0.215 310 L C 1.386 178.150 176.870 -0.176 0.000 1.065 310 L CA -0.237 54.511 54.840 -0.153 0.000 0.842 310 L CB -0.010 41.955 42.059 -0.157 0.000 1.033 310 L HN -0.148 nan 8.230 nan 0.000 0.474 311 K N 0.911 121.230 120.400 -0.134 0.000 2.489 311 K HA 0.086 4.406 4.320 -0.000 0.000 0.278 311 K C 0.995 177.498 176.600 -0.162 0.000 1.000 311 K CA 0.944 57.153 56.287 -0.129 0.000 1.012 311 K CB 0.374 32.825 32.500 -0.082 0.000 0.903 311 K HN 0.246 nan 8.250 nan 0.000 0.485 312 G N 3.311 112.005 108.800 -0.176 0.000 2.168 312 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 312 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 312 G C 0.069 174.742 174.900 -0.378 0.000 0.997 312 G CA 0.435 45.419 45.100 -0.192 0.000 0.708 312 G HN 0.611 nan 8.290 nan 0.000 0.520 313 R N -0.741 119.439 120.500 -0.532 0.000 4.609 313 R HA 0.664 5.004 4.340 -0.000 0.000 0.235 313 R C -0.245 175.497 176.300 -0.931 0.000 1.836 313 R CA -0.130 55.287 56.100 -1.139 0.000 1.564 313 R CB -0.127 29.710 30.300 -0.772 0.000 1.382 313 R HN 0.383 nan 8.270 nan 0.000 0.776 314 L N -0.541 120.329 121.223 -0.588 0.000 2.641 314 L HA 0.278 4.618 4.340 -0.000 0.000 0.261 314 L C -0.568 176.319 176.870 0.027 0.000 0.926 314 L CA -0.007 54.746 54.840 -0.145 0.000 0.917 314 L CB 2.213 44.181 42.059 -0.152 0.000 1.361 314 L HN 0.105 nan 8.230 nan 0.000 0.417 315 D N 3.048 123.548 120.400 0.168 0.000 2.380 315 D HA 0.143 4.783 4.640 -0.000 0.000 0.212 315 D C -0.443 175.928 176.300 0.118 0.000 1.021 315 D CA 0.950 55.094 54.000 0.239 0.000 0.884 315 D CB 0.504 41.560 40.800 0.427 0.000 1.001 315 D HN 0.489 nan 8.370 nan 0.000 0.506 316 W N 0.197 121.392 121.300 -0.175 0.000 3.146 316 W HA 0.532 5.192 4.660 -0.000 0.000 0.319 316 W C -1.973 174.436 176.519 -0.182 0.000 1.258 316 W CA -0.980 56.092 57.345 -0.456 0.000 1.189 316 W CB 0.265 29.149 29.460 -0.961 0.000 1.412 316 W HN -0.405 nan 8.180 nan 0.000 0.567 317 I N 2.360 122.935 120.570 0.008 0.000 2.362 317 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 317 I C 0.784 176.962 176.117 0.101 0.000 0.994 317 I CA -0.659 60.555 61.300 -0.143 0.000 1.158 317 I CB 1.792 39.533 38.000 -0.432 0.000 1.315 317 I HN 0.612 nan 8.210 nan 0.000 0.451 318 G N 6.199 115.020 108.800 0.034 0.000 2.356 318 G HA2 0.439 4.399 3.960 -0.000 0.000 0.300 318 G HA3 0.439 4.399 3.960 -0.000 0.000 0.300 318 G C -0.424 174.553 174.900 0.129 0.000 1.107 318 G CA -0.219 45.048 45.100 0.278 0.000 0.960 318 G HN 0.367 nan 8.290 nan 0.000 0.418 319 V N 4.377 124.375 119.914 0.141 0.000 2.348 319 V HA 0.175 4.295 4.120 -0.000 0.000 0.270 319 V C -0.345 175.853 176.094 0.173 0.000 1.037 319 V CA -1.085 61.287 62.300 0.121 0.000 0.872 319 V CB 0.717 32.607 31.823 0.112 0.000 1.002 319 V HN 0.601 nan 8.190 nan 0.000 0.464 320 N N 3.979 122.786 118.700 0.178 0.000 2.455 320 N HA 0.488 5.228 4.740 -0.000 0.000 0.280 320 N C -1.036 174.596 175.510 0.204 0.000 1.055 320 N CA -0.245 52.893 53.050 0.148 0.000 0.961 320 N CB 1.328 39.894 38.487 0.132 0.000 1.121 320 N HN 0.715 nan 8.380 nan 0.000 0.476 321 Y N 1.857 122.119 120.300 -0.063 0.000 2.399 321 Y HA 0.291 4.841 4.550 -0.000 0.000 0.327 321 Y C -1.004 174.769 175.900 -0.212 0.000 1.111 321 Y CA -0.563 57.530 58.100 -0.012 0.000 1.047 321 Y CB 0.661 39.168 38.460 0.078 0.000 1.259 321 Y HN 0.585 nan 8.280 nan 0.000 0.434 322 Y N 2.151 121.981 120.300 -0.784 0.000 2.701 322 Y HA 0.387 4.937 4.550 -0.000 0.000 0.275 322 Y C 1.009 176.621 175.900 -0.480 0.000 1.133 322 Y CA 0.626 58.496 58.100 -0.382 0.000 1.241 322 Y CB 1.423 39.802 38.460 -0.135 0.000 1.389 322 Y HN 0.597 nan 8.280 nan 0.000 0.486 323 T N -0.485 113.655 114.554 -0.691 0.000 2.677 323 T HA 0.400 4.750 4.350 -0.000 0.000 0.305 323 T C -1.503 173.131 174.700 -0.110 0.000 1.569 323 T CA -0.970 61.037 62.100 -0.155 0.000 0.984 323 T CB 1.043 69.948 68.868 0.061 0.000 1.629 323 T HN 0.205 nan 8.240 nan 0.000 0.494 324 R N 0.059 120.568 120.500 0.015 0.000 2.606 324 R HA 0.855 5.195 4.340 -0.000 0.000 0.249 324 R C -0.979 175.183 176.300 -0.230 0.000 1.127 324 R CA -0.632 55.391 56.100 -0.127 0.000 1.133 324 R CB 0.569 30.604 30.300 -0.443 0.000 1.243 324 R HN 0.466 nan 8.270 nan 0.000 0.558 325 T N 0.649 115.019 114.554 -0.306 0.000 3.011 325 T HA 0.283 4.633 4.350 -0.000 0.000 0.303 325 T C -1.005 173.604 174.700 -0.151 0.000 0.997 325 T CA -0.690 61.270 62.100 -0.233 0.000 1.007 325 T CB 1.755 70.477 68.868 -0.244 0.000 1.017 325 T HN 0.338 nan 8.240 nan 0.000 0.443 326 V N 4.596 124.410 119.914 -0.166 0.000 2.465 326 V HA 0.607 4.727 4.120 -0.000 0.000 0.279 326 V C 0.320 176.371 176.094 -0.072 0.000 1.045 326 V CA -0.482 61.679 62.300 -0.230 0.000 0.938 326 V CB 1.218 32.670 31.823 -0.619 0.000 0.986 326 V HN 0.759 nan 8.190 nan 0.000 0.467 327 V N 2.918 122.821 119.914 -0.018 0.000 2.864 327 V HA 0.846 4.966 4.120 -0.000 0.000 0.314 327 V C -0.660 175.451 176.094 0.029 0.000 1.073 327 V CA -1.039 61.301 62.300 0.067 0.000 0.956 327 V CB 1.867 33.757 31.823 0.111 0.000 1.023 327 V HN 0.957 nan 8.190 nan 0.000 0.435 328 K N 1.771 122.215 120.400 0.074 0.000 2.422 328 K HA 0.643 4.963 4.320 -0.000 0.000 0.251 328 K C -0.535 176.120 176.600 0.091 0.000 0.933 328 K CA -1.027 55.292 56.287 0.053 0.000 0.798 328 K CB 2.189 34.708 32.500 0.032 0.000 1.238 328 K HN 0.544 nan 8.250 nan 0.000 0.428 329 R N 1.636 122.173 120.500 0.063 0.000 2.502 329 R HA 0.125 4.465 4.340 -0.000 0.000 0.292 329 R C -0.662 175.671 176.300 0.055 0.000 0.998 329 R CA 0.425 56.566 56.100 0.068 0.000 1.056 329 R CB 0.511 30.833 30.300 0.037 0.000 0.939 329 R HN 0.847 nan 8.270 nan 0.000 0.411 330 T N 2.261 116.849 114.554 0.057 0.000 2.927 330 T HA 0.364 4.714 4.350 -0.000 0.000 0.286 330 T C 1.339 176.046 174.700 0.013 0.000 1.040 330 T CA 0.158 62.271 62.100 0.022 0.000 1.010 330 T CB 1.497 70.363 68.868 -0.003 0.000 1.177 330 T HN 0.608 nan 8.240 nan 0.000 0.546 331 E N 0.739 120.940 120.200 0.001 0.000 2.051 331 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 331 E C 1.606 178.201 176.600 -0.008 0.000 0.991 331 E CA 1.528 57.927 56.400 -0.002 0.000 0.799 331 E CB -0.441 29.256 29.700 -0.005 0.000 0.748 331 E HN 0.428 nan 8.360 nan 0.000 0.449 332 K N -1.262 119.125 120.400 -0.022 0.000 2.417 332 K HA 0.379 4.699 4.320 -0.000 0.000 0.196 332 K C 0.805 177.381 176.600 -0.040 0.000 1.023 332 K CA 0.623 56.890 56.287 -0.034 0.000 1.122 332 K CB 0.933 33.404 32.500 -0.048 0.000 0.850 332 K HN 0.509 nan 8.250 nan 0.000 0.521 333 G N -0.607 108.184 108.800 -0.015 0.000 1.876 333 G HA2 0.006 3.966 3.960 -0.000 0.000 0.059 333 G HA3 0.006 3.966 3.960 -0.000 0.000 0.059 333 G C -1.494 173.474 174.900 0.114 0.000 0.755 333 G CA -0.197 44.921 45.100 0.030 0.000 1.092 333 G HN 0.164 nan 8.290 nan 0.000 0.322 334 Y N -0.618 119.653 120.300 -0.047 0.000 2.624 334 Y HA 0.765 5.315 4.550 -0.000 0.000 0.334 334 Y C -0.658 175.220 175.900 -0.036 0.000 1.155 334 Y CA -0.972 57.103 58.100 -0.042 0.000 1.046 334 Y CB 1.504 39.930 38.460 -0.055 0.000 1.316 334 Y HN 1.324 nan 8.280 nan 0.000 0.457 335 V N -0.792 119.148 119.914 0.043 0.000 2.876 335 V HA 0.802 4.922 4.120 -0.000 0.000 0.312 335 V C -0.557 175.617 176.094 0.135 0.000 1.085 335 V CA -0.872 61.422 62.300 -0.010 0.000 0.945 335 V CB 1.511 33.319 31.823 -0.025 0.000 1.017 335 V HN 0.923 nan 8.190 nan 0.000 0.428 336 S N 3.614 119.382 115.700 0.114 0.000 2.586 336 S HA 0.712 5.182 4.470 -0.000 0.000 0.274 336 S C -0.290 174.350 174.600 0.067 0.000 1.281 336 S CA -0.511 57.760 58.200 0.118 0.000 1.035 336 S CB 0.891 64.166 63.200 0.125 0.000 0.962 336 S HN 0.669 nan 8.310 nan 0.000 0.512 337 L N 2.352 123.618 121.223 0.071 0.000 2.295 337 L HA 0.511 4.851 4.340 -0.000 0.000 0.285 337 L C 1.082 178.039 176.870 0.144 0.000 1.035 337 L CA -0.759 54.157 54.840 0.126 0.000 0.806 337 L CB 0.950 43.127 42.059 0.196 0.000 1.214 337 L HN 0.763 nan 8.230 nan 0.000 0.426 338 G N 0.661 109.512 108.800 0.085 0.000 2.594 338 G HA2 0.390 4.350 3.960 -0.000 0.000 0.243 338 G HA3 0.390 4.350 3.960 -0.000 0.000 0.243 338 G C 0.902 175.806 174.900 0.006 0.000 1.229 338 G CA 0.460 45.581 45.100 0.035 0.000 0.843 338 G HN 1.018 nan 8.290 nan 0.000 0.578 339 G N -1.135 107.617 108.800 -0.079 0.000 2.175 339 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 339 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 339 G C 0.058 174.662 174.900 -0.493 0.000 0.982 339 G CA 0.874 45.808 45.100 -0.275 0.000 0.641 339 G HN 0.906 nan 8.290 nan 0.000 0.527 340 Y N -1.112 119.171 120.300 -0.028 0.000 2.638 340 Y HA 0.585 5.135 4.550 -0.000 0.000 0.339 340 Y C 1.309 177.154 175.900 -0.090 0.000 1.084 340 Y CA 0.020 58.094 58.100 -0.043 0.000 1.068 340 Y CB 1.035 39.446 38.460 -0.082 0.000 1.294 340 Y HN 1.189 nan 8.280 nan 0.000 0.480 341 G N 1.021 109.886 108.800 0.107 0.000 2.591 341 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.298 341 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.298 341 G C 0.713 175.610 174.900 -0.005 0.000 1.195 341 G CA 0.730 45.818 45.100 -0.021 0.000 0.989 341 G HN 1.210 nan 8.290 nan 0.000 0.551 342 H N 1.664 120.655 119.070 -0.131 0.000 2.539 342 H HA 0.343 4.899 4.556 -0.000 0.000 0.267 342 H C 1.647 177.005 175.328 0.051 0.000 0.982 342 H CA 0.988 56.913 56.048 -0.206 0.000 1.146 342 H CB -0.171 29.164 29.762 -0.712 0.000 1.382 342 H HN 0.892 nan 8.280 nan 0.000 0.577 343 G N 1.246 109.971 108.800 -0.125 0.000 3.949 343 G HA2 0.335 4.295 3.960 -0.000 0.000 0.295 343 G HA3 0.335 4.295 3.960 -0.000 0.000 0.295 343 G C -0.494 174.435 174.900 0.048 0.000 1.286 343 G CA -0.199 44.890 45.100 -0.020 0.000 1.171 343 G HN 0.312 nan 8.290 nan 0.000 0.586 344 C N -0.339 119.035 119.300 0.123 0.000 2.505 344 C HA 0.524 4.984 4.460 -0.000 0.000 0.358 344 C C 0.501 175.567 174.990 0.126 0.000 1.226 344 C CA -0.984 58.095 59.018 0.102 0.000 1.900 344 C CB 1.858 29.675 27.740 0.129 0.000 2.306 344 C HN 0.533 nan 8.230 nan 0.000 0.512 345 E N 0.703 120.958 120.200 0.091 0.000 2.383 345 E HA 0.155 4.505 4.350 -0.000 0.000 0.264 345 E C -0.215 176.452 176.600 0.112 0.000 1.050 345 E CA 0.046 56.502 56.400 0.093 0.000 0.896 345 E CB 0.542 30.282 29.700 0.068 0.000 0.982 345 E HN 0.418 nan 8.360 nan 0.000 0.424 346 R N 1.936 122.499 120.500 0.104 0.000 2.590 346 R HA 0.008 4.348 4.340 -0.000 0.000 0.274 346 R C -0.110 176.237 176.300 0.077 0.000 1.061 346 R CA 0.098 56.251 56.100 0.089 0.000 1.081 346 R CB -0.100 30.238 30.300 0.063 0.000 0.984 346 R HN 0.626 nan 8.270 nan 0.000 0.448 347 N N 0.056 118.804 118.700 0.080 0.000 2.688 347 N HA -0.246 4.494 4.740 -0.000 0.000 0.258 347 N C -0.818 174.746 175.510 0.090 0.000 1.016 347 N CA 0.968 54.068 53.050 0.083 0.000 0.747 347 N CB -0.414 38.111 38.487 0.062 0.000 0.895 347 N HN 0.572 nan 8.380 nan 0.000 0.543 348 S N -1.304 114.464 115.700 0.112 0.000 3.341 348 S HA 0.811 5.281 4.470 -0.000 0.000 0.326 348 S C -1.224 173.457 174.600 0.136 0.000 1.178 348 S CA -0.094 58.179 58.200 0.122 0.000 1.002 348 S CB 1.039 64.297 63.200 0.096 0.000 1.385 348 S HN 0.579 nan 8.310 nan 0.000 0.710 349 V N 1.158 121.137 119.914 0.108 0.000 3.001 349 V HA 0.919 5.039 4.120 -0.000 0.000 0.314 349 V C 0.082 176.200 176.094 0.040 0.000 1.099 349 V CA -0.198 62.146 62.300 0.075 0.000 0.989 349 V CB 1.170 33.000 31.823 0.011 0.000 1.040 349 V HN 1.084 nan 8.190 nan 0.000 0.434 350 S N 2.538 118.263 115.700 0.043 0.000 2.634 350 S HA 0.394 4.864 4.470 -0.000 0.000 0.261 350 S C 0.971 175.496 174.600 -0.125 0.000 1.271 350 S CA -0.337 57.841 58.200 -0.036 0.000 0.985 350 S CB 0.510 63.732 63.200 0.037 0.000 0.968 350 S HN 0.846 nan 8.310 nan 0.000 0.568 351 L N 0.306 121.318 121.223 -0.352 0.000 2.353 351 L HA -0.032 4.308 4.340 -0.000 0.000 0.220 351 L C 2.556 179.371 176.870 -0.093 0.000 1.133 351 L CA 1.217 55.858 54.840 -0.331 0.000 0.798 351 L CB -0.804 40.877 42.059 -0.629 0.000 0.922 351 L HN 0.907 nan 8.230 nan 0.000 0.445 352 A N -0.588 122.250 122.820 0.030 0.000 2.251 352 A HA 0.353 4.673 4.320 -0.000 0.000 0.209 352 A C 1.716 179.360 177.584 0.101 0.000 1.187 352 A CA 0.610 52.748 52.037 0.170 0.000 0.823 352 A CB -0.244 18.936 19.000 0.299 0.000 0.846 352 A HN 0.469 nan 8.150 nan 0.000 0.486 353 G N -1.102 107.724 108.800 0.043 0.000 2.136 353 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.242 353 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.242 353 G C -0.017 174.909 174.900 0.043 0.000 0.989 353 G CA 0.373 45.480 45.100 0.012 0.000 0.682 353 G HN 0.439 nan 8.290 nan 0.000 0.522 354 L N 1.761 123.050 121.223 0.110 0.000 2.325 354 L HA 0.496 4.836 4.340 -0.000 0.000 0.279 354 L C -1.561 175.408 176.870 0.165 0.000 1.054 354 L CA -2.437 52.503 54.840 0.167 0.000 0.804 354 L CB 1.638 43.879 42.059 0.304 0.000 1.200 354 L HN -0.071 nan 8.230 nan 0.000 0.436 355 P HA 0.113 nan 4.420 nan 0.000 0.275 355 P C -0.763 176.690 177.300 0.254 0.000 1.228 355 P CA -0.283 62.904 63.100 0.145 0.000 0.786 355 P CB 0.970 32.702 31.700 0.053 0.000 0.927 356 T N -1.468 113.220 114.554 0.223 0.000 2.918 356 T HA 0.535 4.885 4.350 -0.000 0.000 0.286 356 T C 0.505 175.335 174.700 0.216 0.000 1.026 356 T CA -0.615 61.640 62.100 0.257 0.000 1.031 356 T CB 0.787 69.784 68.868 0.215 0.000 1.046 356 T HN 0.449 nan 8.240 nan 0.000 0.479 357 S N 1.096 116.922 115.700 0.210 0.000 2.652 357 S HA 0.228 4.698 4.470 -0.000 0.000 0.267 357 S C 0.517 175.123 174.600 0.010 0.000 1.201 357 S CA -0.467 57.788 58.200 0.091 0.000 0.996 357 S CB -0.002 63.206 63.200 0.014 0.000 1.054 357 S HN 0.687 nan 8.310 nan 0.000 0.561 358 D N -0.293 120.053 120.400 -0.091 0.000 2.311 358 D HA -0.014 4.626 4.640 -0.000 0.000 0.212 358 D C 0.818 177.035 176.300 -0.137 0.000 0.972 358 D CA 0.942 54.865 54.000 -0.128 0.000 0.887 358 D CB -0.310 40.359 40.800 -0.217 0.000 0.915 358 D HN 0.489 nan 8.370 nan 0.000 0.497 359 F N -0.213 119.513 119.950 -0.374 0.000 2.727 359 F HA 0.303 4.830 4.527 -0.000 0.000 0.302 359 F C 1.647 177.263 175.800 -0.308 0.000 1.097 359 F CA 0.108 57.800 58.000 -0.512 0.000 1.330 359 F CB 0.321 38.603 39.000 -1.198 0.000 1.084 359 F HN 0.043 nan 8.300 nan 0.000 0.578 360 G N -0.320 108.537 108.800 0.096 0.000 2.137 360 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.237 360 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.237 360 G C -0.294 174.867 174.900 0.434 0.000 1.002 360 G CA -0.151 45.087 45.100 0.229 0.000 0.702 360 G HN 0.115 nan 8.290 nan 0.000 0.515 361 W N 0.856 122.269 121.300 0.188 0.000 2.417 361 W HA 0.656 5.316 4.660 -0.000 0.000 0.317 361 W C 0.480 177.147 176.519 0.246 0.000 1.121 361 W CA -2.070 55.387 57.345 0.188 0.000 1.208 361 W CB 0.682 30.250 29.460 0.179 0.000 1.253 361 W HN 0.289 nan 8.180 nan 0.000 0.533 362 E N 2.316 122.791 120.200 0.458 0.000 2.313 362 E HA 0.113 4.463 4.350 -0.000 0.000 0.276 362 E C -0.994 175.935 176.600 0.549 0.000 1.031 362 E CA -0.624 56.031 56.400 0.425 0.000 0.857 362 E CB 0.661 30.548 29.700 0.311 0.000 1.040 362 E HN 0.267 nan 8.360 nan 0.000 0.408 363 F N 5.646 125.854 119.950 0.429 0.000 2.502 363 F HA 0.222 4.749 4.527 -0.000 0.000 0.371 363 F C -0.965 175.134 175.800 0.498 0.000 1.083 363 F CA 0.090 58.383 58.000 0.487 0.000 1.174 363 F CB 0.140 39.365 39.000 0.375 0.000 1.096 363 F HN 0.431 nan 8.300 nan 0.000 0.545 364 F N 9.748 129.730 119.950 0.054 0.000 3.020 364 F HA 0.330 4.857 4.527 -0.000 0.000 0.389 364 F C -2.201 173.601 175.800 0.003 0.000 1.265 364 F CA -1.705 56.357 58.000 0.103 0.000 1.195 364 F CB 0.586 39.716 39.000 0.217 0.000 2.250 364 F HN 0.227 nan 8.300 nan 0.000 0.627 365 P HA -0.111 nan 4.420 nan 0.000 0.221 365 P C 0.973 177.967 177.300 -0.510 0.000 1.150 365 P CA 1.300 63.883 63.100 -0.863 0.000 0.800 365 P CB 0.378 31.392 31.700 -1.142 0.000 0.787 366 E N 0.380 120.217 120.200 -0.605 0.000 2.171 366 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 366 E C 2.365 178.832 176.600 -0.221 0.000 0.997 366 E CA 1.595 57.731 56.400 -0.441 0.000 0.810 366 E CB -1.510 27.845 29.700 -0.575 0.000 0.738 366 E HN 0.288 nan 8.360 nan 0.000 0.467 367 G N 0.952 109.690 108.800 -0.103 0.000 2.475 367 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 367 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 367 G C 1.466 176.085 174.900 -0.469 0.000 1.125 367 G CA 0.913 46.090 45.100 0.128 0.000 0.755 367 G HN 0.220 nan 8.290 nan 0.000 0.565 368 L N -0.707 120.069 121.223 -0.747 0.000 2.109 368 L HA 0.097 4.437 4.340 -0.000 0.000 0.207 368 L C 2.444 179.185 176.870 -0.215 0.000 1.086 368 L CA 1.481 55.907 54.840 -0.689 0.000 0.760 368 L CB -0.848 41.005 42.059 -0.343 0.000 0.910 368 L HN 0.344 nan 8.230 nan 0.000 0.437 369 Y N 0.444 120.613 120.300 -0.219 0.000 2.128 369 Y HA -0.307 4.243 4.550 -0.000 0.000 0.284 369 Y C 2.406 178.262 175.900 -0.073 0.000 1.154 369 Y CA 2.189 60.211 58.100 -0.131 0.000 1.149 369 Y CB -0.433 37.941 38.460 -0.142 0.000 0.976 369 Y HN 0.501 nan 8.280 nan 0.000 0.505 370 D N -0.596 119.800 120.400 -0.006 0.000 2.092 370 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 370 D C 2.112 178.365 176.300 -0.078 0.000 0.994 370 D CA 2.150 56.139 54.000 -0.019 0.000 0.828 370 D CB -0.426 40.432 40.800 0.097 0.000 0.963 370 D HN 0.233 nan 8.370 nan 0.000 0.450 371 V N 0.321 120.192 119.914 -0.071 0.000 2.295 371 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 371 V C 2.700 178.852 176.094 0.097 0.000 1.049 371 V CA 1.423 63.725 62.300 0.002 0.000 1.024 371 V CB -0.558 31.304 31.823 0.064 0.000 0.648 371 V HN 0.316 nan 8.190 nan 0.000 0.447 372 L N 0.479 121.723 121.223 0.036 0.000 2.012 372 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 372 L C 2.782 179.676 176.870 0.040 0.000 1.073 372 L CA 2.273 57.159 54.840 0.077 0.000 0.748 372 L CB -1.063 40.991 42.059 -0.007 0.000 0.891 372 L HN 0.591 nan 8.230 nan 0.000 0.431 373 T N -3.541 110.910 114.554 -0.170 0.000 2.951 373 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 373 T C 1.833 176.521 174.700 -0.020 0.000 1.073 373 T CA 0.761 62.761 62.100 -0.167 0.000 1.134 373 T CB -0.046 68.525 68.868 -0.496 0.000 0.884 373 T HN 0.078 nan 8.240 nan 0.000 0.479 374 K N 0.169 120.570 120.400 0.002 0.000 2.025 374 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 374 K C 1.957 178.632 176.600 0.125 0.000 1.049 374 K CA 1.307 57.642 56.287 0.079 0.000 0.933 374 K CB -0.525 32.059 32.500 0.139 0.000 0.714 374 K HN 0.348 nan 8.250 nan 0.000 0.438 375 Y N -0.413 120.004 120.300 0.195 0.000 2.165 375 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 375 Y C 2.179 178.095 175.900 0.027 0.000 1.155 375 Y CA 1.558 59.760 58.100 0.172 0.000 1.164 375 Y CB -0.391 38.147 38.460 0.129 0.000 0.978 375 Y HN 0.316 nan 8.280 nan 0.000 0.513 376 W N 1.113 122.408 121.300 -0.009 0.000 2.355 376 W HA -0.242 4.418 4.660 -0.000 0.000 0.309 376 W C 1.449 177.626 176.519 -0.570 0.000 1.206 376 W CA 1.713 58.930 57.345 -0.215 0.000 1.284 376 W CB -0.380 28.980 29.460 -0.167 0.000 1.145 376 W HN 0.112 nan 8.180 nan 0.000 0.502 377 N N 0.570 119.048 118.700 -0.370 0.000 2.223 377 N HA -0.187 4.552 4.740 -0.000 0.000 0.185 377 N C 1.817 177.015 175.510 -0.521 0.000 1.016 377 N CA 1.467 54.243 53.050 -0.457 0.000 0.863 377 N CB -0.692 37.693 38.487 -0.171 0.000 0.983 377 N HN 0.318 nan 8.380 nan 0.000 0.429 378 R N -0.754 119.378 120.500 -0.614 0.000 2.066 378 R HA 0.000 4.340 4.340 -0.000 0.000 0.224 378 R C 0.947 176.809 176.300 -0.731 0.000 1.122 378 R CA 1.091 56.672 56.100 -0.865 0.000 0.974 378 R CB 0.092 29.467 30.300 -1.543 0.000 0.871 378 R HN 0.209 nan 8.270 nan 0.000 0.435 379 Y N -1.771 118.358 120.300 -0.284 0.000 2.444 379 Y HA 0.225 4.775 4.550 -0.000 0.000 0.252 379 Y C -0.178 175.601 175.900 -0.200 0.000 1.091 379 Y CA -0.178 57.822 58.100 -0.167 0.000 1.276 379 Y CB 0.179 38.596 38.460 -0.071 0.000 1.170 379 Y HN 0.158 nan 8.280 nan 0.000 0.517 380 H N -0.386 118.420 119.070 -0.440 0.000 2.741 380 H HA -0.162 4.394 4.556 -0.000 0.000 0.305 380 H C -0.656 174.468 175.328 -0.340 0.000 1.169 380 H CA 0.464 55.929 56.048 -0.971 0.000 1.144 380 H CB -2.018 27.212 29.762 -0.887 0.000 1.397 380 H HN 0.214 nan 8.280 nan 0.000 0.409 381 L N 0.977 122.252 121.223 0.086 0.000 2.322 381 L HA 0.317 4.657 4.340 -0.000 0.000 0.279 381 L C 0.998 178.162 176.870 0.489 0.000 1.036 381 L CA -1.349 53.650 54.840 0.265 0.000 0.807 381 L CB 0.672 42.802 42.059 0.120 0.000 1.226 381 L HN 0.254 nan 8.230 nan 0.000 0.433 382 Y N 1.448 121.999 120.300 0.418 0.000 2.426 382 Y HA 0.506 5.056 4.550 -0.000 0.000 0.344 382 Y C -0.330 175.693 175.900 0.206 0.000 1.256 382 Y CA -0.823 57.439 58.100 0.271 0.000 1.451 382 Y CB 0.470 38.989 38.460 0.100 0.000 1.342 382 Y HN 0.434 nan 8.280 nan 0.000 0.600 383 M N 2.259 121.962 119.600 0.171 0.000 2.572 383 M HA 0.429 4.909 4.480 -0.000 0.000 0.299 383 M C -1.783 174.477 176.300 -0.066 0.000 1.205 383 M CA -0.624 54.736 55.300 0.100 0.000 0.876 383 M CB 2.404 35.054 32.600 0.083 0.000 1.728 383 M HN 0.680 nan 8.290 nan 0.000 0.458 384 Y N 0.054 120.458 120.300 0.174 0.000 2.429 384 Y HA 0.526 5.076 4.550 -0.000 0.000 0.342 384 Y C -0.270 175.696 175.900 0.111 0.000 1.004 384 Y CA -0.922 57.214 58.100 0.060 0.000 1.075 384 Y CB 1.679 40.113 38.460 -0.044 0.000 1.214 384 Y HN 0.267 nan 8.280 nan 0.000 0.455 385 V N 3.033 123.095 119.914 0.247 0.000 2.370 385 V HA 0.034 4.154 4.120 -0.000 0.000 0.257 385 V C 0.692 176.859 176.094 0.123 0.000 1.064 385 V CA 0.342 62.758 62.300 0.194 0.000 0.975 385 V CB 0.131 32.104 31.823 0.249 0.000 1.067 385 V HN 1.064 nan 8.190 nan 0.000 0.485 386 T N 1.231 115.879 114.554 0.157 0.000 3.057 386 T HA 0.246 4.596 4.350 -0.000 0.000 0.254 386 T C 0.403 175.173 174.700 0.116 0.000 1.094 386 T CA 0.139 62.325 62.100 0.144 0.000 1.088 386 T CB 0.291 69.293 68.868 0.223 0.000 0.934 386 T HN 0.648 nan 8.240 nan 0.000 0.497 387 E N 0.849 121.083 120.200 0.058 0.000 2.335 387 E HA 0.456 4.806 4.350 -0.000 0.000 0.280 387 E C -1.490 174.968 176.600 -0.235 0.000 0.918 387 E CA -0.744 55.667 56.400 0.018 0.000 0.765 387 E CB 1.924 31.691 29.700 0.111 0.000 1.218 387 E HN 0.221 nan 8.360 nan 0.000 0.425 388 N N 1.751 120.249 118.700 -0.336 0.000 2.666 388 N HA 0.445 5.185 4.740 -0.000 0.000 0.260 388 N C -1.354 173.976 175.510 -0.300 0.000 1.077 388 N CA -0.148 52.649 53.050 -0.422 0.000 1.026 388 N CB 1.898 40.371 38.487 -0.024 0.000 1.653 388 N HN 0.668 nan 8.380 nan 0.000 0.533 389 G N 1.838 110.576 108.800 -0.104 0.000 2.428 389 G HA2 0.500 4.459 3.960 -0.000 0.000 0.304 389 G HA3 0.500 4.459 3.960 -0.000 0.000 0.304 389 G C -2.034 172.929 174.900 0.105 0.000 1.303 389 G CA -0.557 44.551 45.100 0.014 0.000 0.825 389 G HN 0.539 nan 8.290 nan 0.000 0.484 390 I N -0.337 120.282 120.570 0.082 0.000 2.775 390 I HA 0.653 4.823 4.170 -0.000 0.000 0.295 390 I C -0.191 175.504 176.117 -0.702 0.000 1.287 390 I CA -1.148 59.987 61.300 -0.275 0.000 1.029 390 I CB 2.020 39.692 38.000 -0.548 0.000 1.282 390 I HN 0.981 nan 8.210 nan 0.000 0.426 391 A N 4.529 126.661 122.820 -1.147 0.000 2.395 391 A HA 0.448 4.768 4.320 -0.000 0.000 0.286 391 A C -0.580 176.715 177.584 -0.482 0.000 1.193 391 A CA 0.261 51.622 52.037 -1.128 0.000 0.852 391 A CB -0.165 18.215 19.000 -1.032 0.000 1.118 391 A HN 0.605 nan 8.150 nan 0.000 0.524 392 D N 2.262 122.461 120.400 -0.335 0.000 2.634 392 D HA 0.078 4.718 4.640 -0.000 0.000 0.236 392 D C 0.268 176.465 176.300 -0.173 0.000 1.323 392 D CA -0.334 53.553 54.000 -0.188 0.000 0.884 392 D CB 0.593 41.337 40.800 -0.093 0.000 1.496 392 D HN 0.445 nan 8.370 nan 0.000 0.525 393 D N 1.709 121.999 120.400 -0.183 0.000 2.117 393 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 393 D C 1.774 177.946 176.300 -0.214 0.000 0.987 393 D CA 1.621 55.525 54.000 -0.160 0.000 0.829 393 D CB 0.304 41.024 40.800 -0.133 0.000 0.961 393 D HN 0.365 nan 8.370 nan 0.000 0.460 394 A N -0.294 122.319 122.820 -0.346 0.000 2.066 394 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 394 A C 1.123 178.393 177.584 -0.524 0.000 1.157 394 A CA 1.497 53.170 52.037 -0.607 0.000 0.670 394 A CB -0.269 17.977 19.000 -1.256 0.000 0.804 394 A HN 0.330 nan 8.150 nan 0.000 0.453 395 D N -4.607 115.615 120.400 -0.298 0.000 3.068 395 D HA -0.197 4.443 4.640 -0.000 0.000 0.218 395 D C 0.279 176.625 176.300 0.077 0.000 1.145 395 D CA 1.056 55.009 54.000 -0.078 0.000 0.896 395 D CB -1.680 39.102 40.800 -0.030 0.000 1.105 395 D HN 0.479 nan 8.370 nan 0.000 0.423 396 Y N 0.098 120.455 120.300 0.094 0.000 2.145 396 Y HA -0.061 4.489 4.550 -0.000 0.000 0.286 396 Y C 2.586 178.621 175.900 0.225 0.000 1.145 396 Y CA 1.732 59.910 58.100 0.131 0.000 1.148 396 Y CB -0.572 37.938 38.460 0.083 0.000 0.981 396 Y HN 0.334 nan 8.280 nan 0.000 0.507 397 Q N -0.929 119.094 119.800 0.371 0.000 2.373 397 Q HA 0.019 4.359 4.340 -0.000 0.000 0.210 397 Q C 2.274 178.578 176.000 0.506 0.000 0.913 397 Q CA 0.050 56.105 55.803 0.419 0.000 0.911 397 Q CB 0.027 28.975 28.738 0.350 0.000 1.040 397 Q HN 0.344 nan 8.270 nan 0.000 0.521 398 R N 1.226 121.933 120.500 0.345 0.000 2.103 398 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 398 R C -0.860 175.638 176.300 0.330 0.000 1.142 398 R CA 1.716 58.014 56.100 0.329 0.000 0.960 398 R CB -0.773 29.634 30.300 0.179 0.000 0.858 398 R HN 0.136 nan 8.270 nan 0.000 0.439 399 P HA -0.155 nan 4.420 nan 0.000 0.215 399 P C 0.495 177.829 177.300 0.056 0.000 1.153 399 P CA 1.461 64.590 63.100 0.049 0.000 0.853 399 P CB -0.125 31.515 31.700 -0.100 0.000 0.788 400 Y N -2.928 117.504 120.300 0.221 0.000 2.242 400 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 400 Y C 2.571 178.771 175.900 0.500 0.000 1.137 400 Y CA 1.154 59.411 58.100 0.260 0.000 1.181 400 Y CB -1.280 37.290 38.460 0.183 0.000 0.989 400 Y HN -0.059 nan 8.280 nan 0.000 0.527 401 Y N 0.128 120.849 120.300 0.701 0.000 2.145 401 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 401 Y C 2.361 178.569 175.900 0.513 0.000 1.145 401 Y CA 1.312 59.819 58.100 0.679 0.000 1.148 401 Y CB -0.614 38.185 38.460 0.566 0.000 0.981 401 Y HN 0.140 nan 8.280 nan 0.000 0.507 402 L N -0.544 121.008 121.223 0.548 0.000 1.955 402 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 402 L C 2.277 179.250 176.870 0.171 0.000 1.072 402 L CA 2.016 57.049 54.840 0.322 0.000 0.755 402 L CB -1.190 40.912 42.059 0.073 0.000 0.888 402 L HN 0.118 nan 8.230 nan 0.000 0.432 403 V N -0.598 119.391 119.914 0.126 0.000 2.332 403 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 403 V C 2.597 178.748 176.094 0.096 0.000 1.055 403 V CA 1.943 64.285 62.300 0.070 0.000 1.038 403 V CB -0.888 30.939 31.823 0.007 0.000 0.651 403 V HN 0.541 nan 8.190 nan 0.000 0.450 404 S N -1.054 114.722 115.700 0.127 0.000 2.368 404 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 404 S C 1.864 176.431 174.600 -0.055 0.000 1.030 404 S CA 1.701 59.926 58.200 0.042 0.000 0.999 404 S CB -0.361 62.866 63.200 0.045 0.000 0.844 404 S HN 0.739 nan 8.310 nan 0.000 0.459 405 H N 0.103 119.148 119.070 -0.041 0.000 2.436 405 H HA 0.134 4.690 4.556 -0.000 0.000 0.294 405 H C 2.050 177.398 175.328 0.033 0.000 1.048 405 H CA 0.986 57.027 56.048 -0.012 0.000 1.353 405 H CB -0.236 29.542 29.762 0.027 0.000 1.414 405 H HN 0.118 nan 8.280 nan 0.000 0.536 406 V N 0.491 120.437 119.914 0.054 0.000 2.343 406 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 406 V C 2.046 178.287 176.094 0.245 0.000 1.051 406 V CA 1.950 64.257 62.300 0.012 0.000 1.036 406 V CB -0.617 31.169 31.823 -0.062 0.000 0.654 406 V HN 0.491 nan 8.190 nan 0.000 0.451 407 Y N 1.155 121.465 120.300 0.016 0.000 2.165 407 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 407 Y C 2.617 178.467 175.900 -0.083 0.000 1.155 407 Y CA 1.803 59.819 58.100 -0.141 0.000 1.164 407 Y CB -0.271 37.999 38.460 -0.318 0.000 0.978 407 Y HN 0.233 nan 8.280 nan 0.000 0.513 408 Q N -0.215 119.471 119.800 -0.191 0.000 2.170 408 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 408 Q C 2.498 178.461 176.000 -0.062 0.000 0.976 408 Q CA 1.576 57.248 55.803 -0.219 0.000 0.858 408 Q CB -0.669 28.006 28.738 -0.106 0.000 0.907 408 Q HN 0.512 nan 8.270 nan 0.000 0.433 409 V N 0.573 120.535 119.914 0.079 0.000 2.379 409 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 409 V C 2.393 178.530 176.094 0.072 0.000 1.044 409 V CA 1.657 64.066 62.300 0.182 0.000 1.036 409 V CB -0.766 31.290 31.823 0.388 0.000 0.664 409 V HN 0.456 nan 8.190 nan 0.000 0.453 410 H N 0.597 119.592 119.070 -0.125 0.000 2.319 410 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 410 H C 2.635 177.727 175.328 -0.393 0.000 1.092 410 H CA 1.966 57.703 56.048 -0.519 0.000 1.302 410 H CB 0.051 29.382 29.762 -0.719 0.000 1.373 410 H HN 0.212 nan 8.280 nan 0.000 0.497 411 R N 0.169 120.465 120.500 -0.340 0.000 2.096 411 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 411 R C 2.468 178.771 176.300 0.005 0.000 1.139 411 R CA 1.214 57.143 56.100 -0.286 0.000 0.952 411 R CB -0.571 29.442 30.300 -0.479 0.000 0.854 411 R HN 0.389 nan 8.270 nan 0.000 0.436 412 A N 0.975 123.845 122.820 0.084 0.000 1.877 412 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 412 A C 2.235 179.744 177.584 -0.126 0.000 1.186 412 A CA 1.281 53.327 52.037 0.016 0.000 0.620 412 A CB -0.510 18.451 19.000 -0.065 0.000 0.822 412 A HN 0.245 nan 8.150 nan 0.000 0.443 413 I N 0.075 120.528 120.570 -0.195 0.000 2.226 413 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 413 I C 2.458 178.415 176.117 -0.267 0.000 1.100 413 I CA 1.491 62.629 61.300 -0.270 0.000 1.374 413 I CB -0.436 37.367 38.000 -0.327 0.000 1.057 413 I HN 0.497 nan 8.210 nan 0.000 0.413 414 N N 0.514 119.048 118.700 -0.277 0.000 2.289 414 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 414 N C 1.588 177.043 175.510 -0.090 0.000 1.016 414 N CA 1.190 54.120 53.050 -0.200 0.000 0.872 414 N CB 0.179 38.559 38.487 -0.179 0.000 0.973 414 N HN 0.218 nan 8.380 nan 0.000 0.433 415 S N -1.034 114.640 115.700 -0.044 0.000 2.593 415 S HA 0.225 4.695 4.470 -0.000 0.000 0.217 415 S C 1.175 175.762 174.600 -0.023 0.000 0.966 415 S CA 0.546 58.759 58.200 0.022 0.000 0.914 415 S CB 0.599 63.889 63.200 0.150 0.000 0.776 415 S HN 0.677 nan 8.310 nan 0.000 0.523 416 G N 0.933 109.661 108.800 -0.120 0.000 2.231 416 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.206 416 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.206 416 G C 0.193 174.766 174.900 -0.544 0.000 0.996 416 G CA -0.304 44.697 45.100 -0.164 0.000 0.645 416 G HN 0.753 nan 8.290 nan 0.000 0.498 417 A N 0.608 123.008 122.820 -0.700 0.000 2.477 417 A HA 0.482 4.802 4.320 -0.000 0.000 0.246 417 A C 0.183 177.166 177.584 -1.001 0.000 1.078 417 A CA 0.640 51.925 52.037 -1.253 0.000 0.770 417 A CB 0.344 19.010 19.000 -0.558 0.000 1.011 417 A HN 0.296 nan 8.150 nan 0.000 0.494 418 D N 2.642 122.223 120.400 -1.365 0.000 2.453 418 D HA 0.362 5.002 4.640 -0.000 0.000 0.223 418 D C -0.775 175.370 176.300 -0.257 0.000 1.183 418 D CA 0.236 53.859 54.000 -0.629 0.000 0.933 418 D CB 0.175 40.699 40.800 -0.460 0.000 1.038 418 D HN 0.121 nan 8.370 nan 0.000 0.513 419 V N 5.287 125.109 119.914 -0.154 0.000 2.448 419 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 419 V C 1.213 177.320 176.094 0.022 0.000 1.025 419 V CA -0.706 61.580 62.300 -0.024 0.000 0.859 419 V CB 1.875 33.767 31.823 0.116 0.000 0.988 419 V HN 0.389 nan 8.190 nan 0.000 0.431 420 R N 2.472 122.765 120.500 -0.346 0.000 2.437 420 R HA 0.498 4.838 4.340 -0.000 0.000 0.257 420 R C 0.615 176.327 176.300 -0.980 0.000 0.927 420 R CA 0.275 56.036 56.100 -0.566 0.000 1.078 420 R CB 1.437 31.281 30.300 -0.761 0.000 1.161 420 R HN 0.844 nan 8.270 nan 0.000 0.529 421 G N 0.004 108.210 108.800 -0.990 0.000 2.601 421 G HA2 0.293 4.253 3.960 -0.000 0.000 0.291 421 G HA3 0.293 4.253 3.960 -0.000 0.000 0.291 421 G C -2.378 172.293 174.900 -0.382 0.000 1.456 421 G CA -0.533 43.951 45.100 -1.027 0.000 0.804 421 G HN 0.070 nan 8.290 nan 0.000 0.499 422 Y N 0.669 120.760 120.300 -0.348 0.000 2.329 422 Y HA 0.712 5.262 4.550 -0.000 0.000 0.328 422 Y C -1.622 174.429 175.900 0.251 0.000 0.992 422 Y CA -1.091 57.088 58.100 0.132 0.000 1.151 422 Y CB 1.625 40.292 38.460 0.344 0.000 1.150 422 Y HN 0.406 nan 8.280 nan 0.000 0.450 423 L N 6.817 127.904 121.223 -0.227 0.000 2.345 423 L HA 0.332 4.671 4.340 -0.000 0.000 0.274 423 L C -0.472 176.312 176.870 -0.144 0.000 0.999 423 L CA -0.667 54.161 54.840 -0.021 0.000 0.849 423 L CB 0.922 42.991 42.059 0.017 0.000 1.220 423 L HN 0.700 nan 8.230 nan 0.000 0.422 424 H N 2.782 121.837 119.070 -0.026 0.000 2.815 424 H HA 0.057 4.613 4.556 -0.000 0.000 0.350 424 H C -0.983 174.476 175.328 0.220 0.000 1.080 424 H CA 0.365 56.428 56.048 0.025 0.000 1.433 424 H CB 0.720 30.538 29.762 0.092 0.000 1.432 424 H HN 0.594 nan 8.280 nan 0.000 0.592 425 W N 6.578 127.730 121.300 -0.246 0.000 2.311 425 W HA 0.415 5.075 4.660 -0.000 0.000 0.317 425 W C -1.033 175.532 176.519 0.077 0.000 1.065 425 W CA -0.248 57.099 57.345 0.002 0.000 1.364 425 W CB 0.898 30.397 29.460 0.065 0.000 1.233 425 W HN 0.516 nan 8.180 nan 0.000 0.409 426 S N 3.580 119.245 115.700 -0.058 0.000 2.776 426 S HA 0.298 4.768 4.470 -0.000 0.000 0.292 426 S C 0.269 174.837 174.600 -0.054 0.000 1.187 426 S CA -0.639 57.387 58.200 -0.289 0.000 0.834 426 S CB 1.148 63.764 63.200 -0.974 0.000 1.199 426 S HN 0.447 nan 8.310 nan 0.000 0.514 427 L N 2.132 123.244 121.223 -0.186 0.000 2.017 427 L HA 0.429 4.769 4.340 -0.000 0.000 0.208 427 L C 0.623 177.268 176.870 -0.375 0.000 1.073 427 L CA 2.414 56.979 54.840 -0.458 0.000 0.745 427 L CB -0.765 40.616 42.059 -1.130 0.000 0.894 427 L HN 0.731 nan 8.230 nan 0.000 0.432 428 A N -1.704 120.936 122.820 -0.300 0.000 2.479 428 A HA 0.540 4.860 4.320 -0.000 0.000 0.296 428 A C -1.016 176.511 177.584 -0.095 0.000 1.121 428 A CA -0.846 51.035 52.037 -0.260 0.000 0.743 428 A CB 0.476 19.208 19.000 -0.446 0.000 1.323 428 A HN 0.162 nan 8.150 nan 0.000 0.415 429 D N 1.606 121.982 120.400 -0.040 0.000 2.390 429 D HA 0.231 4.871 4.640 -0.000 0.000 0.236 429 D C 0.048 176.494 176.300 0.243 0.000 1.189 429 D CA 0.854 54.927 54.000 0.122 0.000 0.887 429 D CB 0.353 41.225 40.800 0.119 0.000 1.198 429 D HN 0.683 nan 8.370 nan 0.000 0.444 430 N N -0.551 118.372 118.700 0.371 0.000 3.277 430 N HA 0.050 4.790 4.740 -0.000 0.000 0.278 430 N C -1.398 174.328 175.510 0.360 0.000 1.544 430 N CA -0.734 52.553 53.050 0.396 0.000 0.869 430 N CB 0.723 39.318 38.487 0.180 0.000 1.584 430 N HN 0.287 nan 8.380 nan 0.000 0.564 431 Y N 1.044 121.332 120.300 -0.020 0.000 2.531 431 Y HA 0.160 4.710 4.550 -0.000 0.000 0.347 431 Y C 0.336 175.947 175.900 -0.482 0.000 1.024 431 Y CA -0.036 57.778 58.100 -0.477 0.000 1.306 431 Y CB 0.549 38.597 38.460 -0.686 0.000 1.149 431 Y HN 0.637 nan 8.280 nan 0.000 0.527 432 E N 6.787 126.635 120.200 -0.587 0.000 2.232 432 E HA 0.171 4.521 4.350 -0.000 0.000 0.296 432 E C -0.588 175.831 176.600 -0.302 0.000 1.372 432 E CA -0.007 56.201 56.400 -0.319 0.000 1.527 432 E CB -0.597 29.106 29.700 0.004 0.000 1.424 432 E HN 0.749 nan 8.360 nan 0.000 0.485 433 W N 0.670 121.718 121.300 -0.420 0.000 1.922 433 W HA -0.469 4.191 4.660 -0.000 0.000 0.275 433 W C 1.811 178.255 176.519 -0.126 0.000 1.129 433 W CA 0.787 57.947 57.345 -0.308 0.000 1.077 433 W CB -1.655 27.697 29.460 -0.179 0.000 0.883 433 W HN 0.299 nan 8.180 nan 0.000 0.546 434 A N -0.362 122.801 122.820 0.572 0.000 2.070 434 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 434 A C 1.726 179.432 177.584 0.203 0.000 1.159 434 A CA 2.260 54.578 52.037 0.467 0.000 0.656 434 A CB -0.918 18.451 19.000 0.615 0.000 0.800 434 A HN 0.455 nan 8.150 nan 0.000 0.453 435 S N -1.166 114.621 115.700 0.146 0.000 2.527 435 S HA 0.366 4.836 4.470 -0.000 0.000 0.222 435 S C 1.391 175.862 174.600 -0.215 0.000 0.985 435 S CA 0.702 58.897 58.200 -0.009 0.000 0.921 435 S CB -0.429 62.747 63.200 -0.041 0.000 0.772 435 S HN 1.501 nan 8.310 nan 0.000 0.529 436 G N 1.508 110.015 108.800 -0.487 0.000 2.539 436 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.256 436 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.256 436 G C 0.241 174.747 174.900 -0.657 0.000 1.233 436 G CA 0.168 44.797 45.100 -0.785 0.000 0.936 436 G HN 0.317 nan 8.290 nan 0.000 0.571 437 F N 2.119 121.948 119.950 -0.201 0.000 2.615 437 F HA 0.131 4.658 4.527 -0.000 0.000 0.297 437 F C 2.973 178.725 175.800 -0.079 0.000 1.124 437 F CA 1.523 59.420 58.000 -0.172 0.000 1.451 437 F CB -0.126 38.648 39.000 -0.376 0.000 1.103 437 F HN 0.509 nan 8.300 nan 0.000 0.569 438 S N -0.592 115.123 115.700 0.024 0.000 2.442 438 S HA -0.097 4.373 4.470 -0.000 0.000 0.236 438 S C 1.074 175.610 174.600 -0.107 0.000 1.007 438 S CA 0.639 58.824 58.200 -0.026 0.000 0.965 438 S CB -0.385 62.771 63.200 -0.073 0.000 0.773 438 S HN 0.069 nan 8.310 nan 0.000 0.504 439 M N 2.682 122.179 119.600 -0.173 0.000 2.094 439 M HA 0.371 4.851 4.480 -0.000 0.000 0.348 439 M C -0.302 175.980 176.300 -0.030 0.000 1.267 439 M CA 0.315 55.451 55.300 -0.273 0.000 1.125 439 M CB 0.403 32.681 32.600 -0.537 0.000 1.527 439 M HN 0.201 nan 8.290 nan 0.000 0.447 440 R N 2.445 122.876 120.500 -0.115 0.000 2.239 440 R HA 0.334 4.674 4.340 -0.000 0.000 0.332 440 R C -0.202 176.073 176.300 -0.041 0.000 0.988 440 R CA -0.138 55.975 56.100 0.022 0.000 0.859 440 R CB 0.799 31.099 30.300 -0.000 0.000 1.148 440 R HN 0.515 nan 8.270 nan 0.000 0.482 441 F N 0.344 120.350 119.950 0.093 0.000 2.695 441 F HA 0.239 4.766 4.527 -0.000 0.000 0.303 441 F C 1.585 177.435 175.800 0.082 0.000 1.091 441 F CA -0.327 57.759 58.000 0.143 0.000 1.300 441 F CB 0.916 40.124 39.000 0.347 0.000 1.071 441 F HN 0.542 nan 8.300 nan 0.000 0.578 442 G N 0.180 109.071 108.800 0.152 0.000 2.467 442 G HA2 0.311 4.271 3.960 -0.000 0.000 0.257 442 G HA3 0.311 4.271 3.960 -0.000 0.000 0.257 442 G C 0.867 175.772 174.900 0.009 0.000 1.227 442 G CA -0.436 44.684 45.100 0.033 0.000 0.835 442 G HN 0.244 nan 8.290 nan 0.000 0.556 443 L N 0.584 121.781 121.223 -0.043 0.000 2.201 443 L HA 0.084 4.424 4.340 -0.000 0.000 0.212 443 L C 0.826 177.560 176.870 -0.227 0.000 1.105 443 L CA 0.812 55.566 54.840 -0.143 0.000 0.775 443 L CB -0.367 41.564 42.059 -0.214 0.000 0.913 443 L HN 0.277 nan 8.230 nan 0.000 0.440 444 L N 0.113 121.174 121.223 -0.271 0.000 2.313 444 L HA 0.328 4.668 4.340 -0.000 0.000 0.283 444 L C 0.014 176.781 176.870 -0.172 0.000 1.013 444 L CA -0.525 54.141 54.840 -0.289 0.000 0.816 444 L CB 1.660 43.449 42.059 -0.450 0.000 1.236 444 L HN -0.084 nan 8.230 nan 0.000 0.419 445 K N 2.336 122.692 120.400 -0.074 0.000 2.322 445 K HA 0.384 4.704 4.320 -0.000 0.000 0.283 445 K C -0.946 175.617 176.600 -0.062 0.000 1.042 445 K CA -0.422 55.836 56.287 -0.050 0.000 0.958 445 K CB 1.077 33.568 32.500 -0.015 0.000 0.984 445 K HN 0.363 nan 8.250 nan 0.000 0.473 446 V N 4.395 124.185 119.914 -0.206 0.000 2.394 446 V HA 0.065 4.185 4.120 -0.000 0.000 0.282 446 V C -0.302 175.554 176.094 -0.397 0.000 1.031 446 V CA -0.785 61.284 62.300 -0.385 0.000 0.881 446 V CB 1.344 32.703 31.823 -0.773 0.000 0.982 446 V HN 0.820 nan 8.190 nan 0.000 0.451 447 D N 3.594 123.891 120.400 -0.173 0.000 2.339 447 D HA 0.150 4.790 4.640 -0.000 0.000 0.241 447 D C 0.372 176.557 176.300 -0.192 0.000 1.183 447 D CA -0.087 53.852 54.000 -0.101 0.000 0.859 447 D CB 0.921 41.783 40.800 0.104 0.000 1.067 447 D HN 0.486 nan 8.370 nan 0.000 0.484 448 Y N 2.665 122.911 120.300 -0.089 0.000 2.509 448 Y HA -0.071 4.479 4.550 -0.000 0.000 0.293 448 Y C 1.988 177.818 175.900 -0.115 0.000 1.133 448 Y CA 0.399 58.398 58.100 -0.168 0.000 1.283 448 Y CB -0.085 38.159 38.460 -0.360 0.000 1.001 448 Y HN 0.441 nan 8.280 nan 0.000 0.555 449 N N -0.688 118.041 118.700 0.048 0.000 2.188 449 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 449 N C 1.771 177.292 175.510 0.018 0.000 1.018 449 N CA 2.055 55.122 53.050 0.027 0.000 0.858 449 N CB -0.537 37.964 38.487 0.022 0.000 0.989 449 N HN 0.458 nan 8.380 nan 0.000 0.426 450 T N -2.828 111.732 114.554 0.009 0.000 2.985 450 T HA 0.225 4.575 4.350 -0.000 0.000 0.254 450 T C 0.441 175.133 174.700 -0.014 0.000 1.021 450 T CA -0.224 61.877 62.100 0.001 0.000 0.957 450 T CB 0.583 69.454 68.868 0.004 0.000 1.047 450 T HN -0.109 nan 8.240 nan 0.000 0.511 451 K N 0.202 120.584 120.400 -0.029 0.000 3.407 451 K HA -0.180 4.140 4.320 -0.000 0.000 0.312 451 K C 0.282 176.832 176.600 -0.084 0.000 1.302 451 K CA 0.662 56.925 56.287 -0.041 0.000 0.931 451 K CB -1.978 30.537 32.500 0.026 0.000 1.257 451 K HN 0.655 nan 8.250 nan 0.000 0.454 452 R N 1.171 121.607 120.500 -0.106 0.000 2.537 452 R HA 0.284 4.624 4.340 -0.000 0.000 0.280 452 R C 0.050 176.186 176.300 -0.273 0.000 1.058 452 R CA -0.025 55.951 56.100 -0.206 0.000 1.057 452 R CB 0.397 30.548 30.300 -0.248 0.000 0.973 452 R HN 0.137 nan 8.270 nan 0.000 0.438 453 L N 5.117 126.129 121.223 -0.352 0.000 2.309 453 L HA 0.413 4.753 4.340 -0.000 0.000 0.282 453 L C -0.947 175.708 176.870 -0.358 0.000 1.036 453 L CA -0.819 53.835 54.840 -0.310 0.000 0.806 453 L CB 1.183 43.037 42.059 -0.343 0.000 1.220 453 L HN 0.621 nan 8.230 nan 0.000 0.429 454 Y N -0.160 120.103 120.300 -0.061 0.000 2.446 454 Y HA 0.339 4.889 4.550 -0.000 0.000 0.345 454 Y C -0.689 175.268 175.900 0.095 0.000 0.984 454 Y CA -0.530 57.601 58.100 0.051 0.000 1.058 454 Y CB 1.714 40.173 38.460 -0.001 0.000 1.220 454 Y HN 0.419 nan 8.280 nan 0.000 0.455 455 W N 4.177 125.507 121.300 0.050 0.000 2.387 455 W HA 0.459 5.119 4.660 -0.000 0.000 0.310 455 W C 0.185 176.717 176.519 0.021 0.000 1.181 455 W CA -0.962 56.386 57.345 0.004 0.000 1.333 455 W CB 0.296 29.748 29.460 -0.013 0.000 1.286 455 W HN 0.309 nan 8.180 nan 0.000 0.455 456 R N 4.453 125.024 120.500 0.119 0.000 2.641 456 R HA 0.055 4.395 4.340 -0.000 0.000 0.269 456 R C -1.260 175.112 176.300 0.121 0.000 1.074 456 R CA -1.172 54.975 56.100 0.080 0.000 1.133 456 R CB -0.003 30.302 30.300 0.008 0.000 1.029 456 R HN 0.174 nan 8.270 nan 0.000 0.488 457 P HA -0.169 nan 4.420 nan 0.000 0.217 457 P C 0.807 178.165 177.300 0.097 0.000 1.148 457 P CA 1.368 64.535 63.100 0.112 0.000 0.828 457 P CB 0.215 31.968 31.700 0.087 0.000 0.783 458 S N -0.635 115.101 115.700 0.060 0.000 2.400 458 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 458 S C 2.004 176.617 174.600 0.022 0.000 1.025 458 S CA 1.394 59.610 58.200 0.027 0.000 0.993 458 S CB -0.949 62.251 63.200 0.001 0.000 0.808 458 S HN 0.190 nan 8.310 nan 0.000 0.478 459 A N 1.223 124.049 122.820 0.010 0.000 1.930 459 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 459 A C 2.064 179.761 177.584 0.188 0.000 1.175 459 A CA 1.046 53.049 52.037 -0.056 0.000 0.627 459 A CB -0.607 18.157 19.000 -0.393 0.000 0.815 459 A HN 0.470 nan 8.150 nan 0.000 0.443 460 L N -0.572 120.847 121.223 0.327 0.000 2.046 460 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 460 L C 2.483 179.464 176.870 0.184 0.000 1.077 460 L CA 0.990 56.019 54.840 0.314 0.000 0.747 460 L CB -0.656 41.533 42.059 0.217 0.000 0.896 460 L HN 0.226 nan 8.230 nan 0.000 0.432 461 V N -1.100 118.894 119.914 0.133 0.000 2.295 461 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 461 V C 2.296 178.466 176.094 0.126 0.000 1.049 461 V CA 1.773 64.128 62.300 0.091 0.000 1.024 461 V CB -0.714 31.136 31.823 0.044 0.000 0.648 461 V HN 0.350 nan 8.190 nan 0.000 0.447 462 Y N 1.161 121.435 120.300 -0.043 0.000 2.224 462 Y HA -0.186 4.364 4.550 -0.000 0.000 0.289 462 Y C 2.753 178.618 175.900 -0.059 0.000 1.146 462 Y CA 1.821 59.868 58.100 -0.088 0.000 1.182 462 Y CB -0.549 37.842 38.460 -0.114 0.000 0.983 462 Y HN 0.146 nan 8.280 nan 0.000 0.524 463 R N 0.200 120.743 120.500 0.071 0.000 2.091 463 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 463 R C 2.018 178.311 176.300 -0.011 0.000 1.136 463 R CA 1.828 57.947 56.100 0.031 0.000 0.959 463 R CB -0.086 30.339 30.300 0.208 0.000 0.856 463 R HN 0.227 nan 8.270 nan 0.000 0.437 464 E N 0.657 120.871 120.200 0.022 0.000 2.058 464 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 464 E C 2.065 178.635 176.600 -0.051 0.000 0.997 464 E CA 1.472 57.874 56.400 0.004 0.000 0.801 464 E CB -0.253 29.464 29.700 0.028 0.000 0.746 464 E HN 0.486 nan 8.360 nan 0.000 0.450 465 I N 0.978 121.485 120.570 -0.106 0.000 2.113 465 I HA -0.268 3.902 4.170 -0.000 0.000 0.238 465 I C 2.557 178.419 176.117 -0.425 0.000 1.070 465 I CA 1.263 62.401 61.300 -0.270 0.000 1.332 465 I CB -0.468 37.322 38.000 -0.350 0.000 1.044 465 I HN 0.006 nan 8.210 nan 0.000 0.402 466 A N 0.078 122.604 122.820 -0.490 0.000 1.877 466 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 466 A C 2.400 179.942 177.584 -0.070 0.000 1.186 466 A CA 2.519 54.352 52.037 -0.340 0.000 0.620 466 A CB -1.213 17.558 19.000 -0.381 0.000 0.822 466 A HN 0.377 nan 8.150 nan 0.000 0.443 467 T N 0.197 114.713 114.554 -0.063 0.000 2.803 467 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 467 T C 1.512 176.231 174.700 0.031 0.000 1.052 467 T CA 1.551 63.653 62.100 0.003 0.000 1.136 467 T CB -0.338 68.531 68.868 0.002 0.000 0.864 467 T HN 0.517 nan 8.240 nan 0.000 0.467 468 N N -0.283 118.431 118.700 0.023 0.000 2.236 468 N HA 0.127 4.867 4.740 -0.000 0.000 0.196 468 N C 1.257 176.839 175.510 0.121 0.000 1.114 468 N CA 0.547 53.633 53.050 0.059 0.000 0.859 468 N CB 0.659 39.172 38.487 0.043 0.000 0.982 468 N HN 0.446 nan 8.380 nan 0.000 0.493 469 G N 1.270 110.164 108.800 0.157 0.000 2.321 469 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.287 469 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.287 469 G C -0.017 175.142 174.900 0.430 0.000 1.018 469 G CA 0.811 46.124 45.100 0.354 0.000 0.855 469 G HN 0.626 nan 8.290 nan 0.000 0.507 470 A N -1.157 121.820 122.820 0.262 0.000 2.604 470 A HA 0.726 5.046 4.320 -0.000 0.000 0.295 470 A C -0.303 177.391 177.584 0.183 0.000 1.067 470 A CA -0.711 51.517 52.037 0.319 0.000 0.683 470 A CB 0.994 20.108 19.000 0.191 0.000 1.281 470 A HN 0.724 nan 8.150 nan 0.000 0.407 471 I N 2.787 123.514 120.570 0.261 0.000 2.421 471 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 471 I C 1.113 177.309 176.117 0.131 0.000 1.089 471 I CA 0.103 61.509 61.300 0.178 0.000 1.354 471 I CB 0.980 39.134 38.000 0.257 0.000 1.413 471 I HN 0.759 nan 8.210 nan 0.000 0.513 472 T N 0.846 115.447 114.554 0.078 0.000 2.868 472 T HA 0.110 4.460 4.350 -0.000 0.000 0.292 472 T C 0.918 175.645 174.700 0.045 0.000 1.028 472 T CA -0.816 61.312 62.100 0.048 0.000 1.059 472 T CB 1.177 70.067 68.868 0.038 0.000 0.991 472 T HN 0.454 nan 8.240 nan 0.000 0.531 473 D N 0.944 121.353 120.400 0.014 0.000 2.133 473 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 473 D C 2.107 178.433 176.300 0.044 0.000 0.997 473 D CA 1.433 55.439 54.000 0.009 0.000 0.840 473 D CB -0.083 40.709 40.800 -0.014 0.000 0.947 473 D HN 0.842 nan 8.370 nan 0.000 0.452 474 E N 0.957 121.184 120.200 0.045 0.000 2.347 474 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 474 E C 2.097 178.778 176.600 0.135 0.000 1.008 474 E CA 0.433 56.868 56.400 0.058 0.000 0.852 474 E CB -0.456 29.263 29.700 0.033 0.000 0.783 474 E HN 0.547 nan 8.360 nan 0.000 0.505 475 I N -2.818 117.837 120.570 0.143 0.000 4.025 475 I HA 0.295 4.465 4.170 -0.000 0.000 0.336 475 I C 1.567 177.735 176.117 0.085 0.000 1.390 475 I CA -0.349 61.039 61.300 0.148 0.000 1.099 475 I CB 0.275 38.306 38.000 0.051 0.000 1.049 475 I HN -0.237 nan 8.210 nan 0.000 0.394 476 E N 1.973 122.263 120.200 0.150 0.000 2.265 476 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 476 E C 1.867 178.509 176.600 0.071 0.000 0.996 476 E CA 1.309 57.775 56.400 0.109 0.000 0.832 476 E CB -0.126 29.648 29.700 0.125 0.000 0.756 476 E HN 0.746 nan 8.360 nan 0.000 0.491 477 H N -0.165 118.909 119.070 0.006 0.000 2.521 477 H HA -0.068 4.488 4.556 -0.000 0.000 0.286 477 H C 1.729 177.075 175.328 0.030 0.000 1.034 477 H CA 0.641 56.697 56.048 0.015 0.000 1.278 477 H CB -0.384 29.388 29.762 0.016 0.000 1.386 477 H HN 0.226 nan 8.280 nan 0.000 0.567 478 L N 0.884 121.745 121.223 -0.604 0.000 2.552 478 L HA -0.018 4.322 4.340 -0.000 0.000 0.227 478 L C 1.333 178.162 176.870 -0.069 0.000 1.146 478 L CA 0.202 54.758 54.840 -0.472 0.000 0.858 478 L CB -0.338 41.373 42.059 -0.581 0.000 0.969 478 L HN 0.297 nan 8.230 nan 0.000 0.451 479 N N 1.142 119.802 118.700 -0.066 0.000 3.178 479 N HA 0.028 4.768 4.740 -0.000 0.000 0.300 479 N C -0.642 174.862 175.510 -0.010 0.000 1.242 479 N CA -0.005 53.008 53.050 -0.062 0.000 1.192 479 N CB 0.181 38.510 38.487 -0.263 0.000 1.463 479 N HN 0.223 nan 8.380 nan 0.000 0.539 480 S N -0.774 115.015 115.700 0.150 0.000 2.611 480 S HA 0.242 4.712 4.470 -0.000 0.000 0.268 480 S C -0.695 173.970 174.600 0.110 0.000 1.156 480 S CA -0.924 57.355 58.200 0.131 0.000 0.817 480 S CB 1.154 64.427 63.200 0.121 0.000 1.122 480 S HN -0.075 nan 8.310 nan 0.000 0.466 481 V N 2.293 122.145 119.914 -0.102 0.000 2.555 481 V HA 0.336 4.456 4.120 -0.000 0.000 0.286 481 V C -2.254 173.418 176.094 -0.703 0.000 1.044 481 V CA -1.327 60.665 62.300 -0.513 0.000 1.026 481 V CB 0.232 31.888 31.823 -0.280 0.000 0.981 481 V HN 0.747 nan 8.190 nan 0.000 0.480 482 P HA 0.095 nan 4.420 nan 0.000 0.261 482 P C -2.520 174.421 177.300 -0.599 0.000 1.183 482 P CA -0.639 61.773 63.100 -1.147 0.000 0.761 482 P CB -0.254 31.030 31.700 -0.692 0.000 0.785 483 P HA -0.104 nan 4.420 nan 0.000 0.261 483 P C 1.112 178.323 177.300 -0.149 0.000 1.183 483 P CA 0.322 63.293 63.100 -0.216 0.000 0.761 483 P CB 0.358 31.984 31.700 -0.123 0.000 0.785 484 V N 2.775 122.636 119.914 -0.087 0.000 2.788 484 V HA -0.117 4.003 4.120 -0.000 0.000 0.251 484 V C 2.035 178.214 176.094 0.141 0.000 1.068 484 V CA 1.237 63.540 62.300 0.005 0.000 1.090 484 V CB -1.131 30.673 31.823 -0.032 0.000 0.710 484 V HN 0.398 nan 8.190 nan 0.000 0.467 485 K N 1.669 122.117 120.400 0.080 0.000 2.044 485 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 485 K C -0.217 176.426 176.600 0.072 0.000 1.049 485 K CA 2.298 58.661 56.287 0.126 0.000 0.927 485 K CB -1.168 31.361 32.500 0.048 0.000 0.713 485 K HN 0.539 nan 8.250 nan 0.000 0.443 486 P HA 0.062 nan 4.420 nan 0.000 0.249 486 P C -0.229 176.995 177.300 -0.126 0.000 1.229 486 P CA 0.461 63.514 63.100 -0.077 0.000 0.788 486 P CB 0.164 31.806 31.700 -0.097 0.000 1.072 487 L N -0.395 120.783 121.223 -0.075 0.000 2.375 487 L HA 0.366 4.706 4.340 -0.000 0.000 0.268 487 L C 1.066 177.828 176.870 -0.179 0.000 1.058 487 L CA -1.241 53.551 54.840 -0.080 0.000 0.803 487 L CB 0.913 42.979 42.059 0.013 0.000 1.212 487 L HN -0.163 nan 8.230 nan 0.000 0.451 488 R N 1.109 121.534 120.500 -0.125 0.000 2.640 488 R HA 0.072 4.412 4.340 -0.000 0.000 0.270 488 R C -0.754 175.504 176.300 -0.070 0.000 1.024 488 R CA -0.156 55.843 56.100 -0.170 0.000 1.085 488 R CB 0.322 30.595 30.300 -0.045 0.000 0.963 488 R HN 0.505 nan 8.270 nan 0.000 0.426 489 H N 0.000 119.075 119.070 0.008 0.000 2.539 489 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 489 H CA 0.000 56.054 56.048 0.011 0.000 1.023 489 H CB 0.000 29.765 29.762 0.004 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496