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 1ega_1_B DATA FIRST_RESID 4 DATA SEQUENCE DKSYCGFIAI VGRPNVGKST LLNKLLGQKI SITSRKAQTT RHRIVGIHTE DATA SEQUENCE GAYQAIYVDT PGLHMEEKRA INRLMNKAAS SSIGDVELVI FVVEGTRWTP DATA SEQUENCE DDEMVLNKLR EGKAPVILAV NKVDNVQEKA DLLPHLQFLA SQMNFLDIVP DATA SEQUENCE ISAETGLNVD TIAAIVRKHL PEATHHFPED YITDRSQRFM ASEIIREKLM DATA SEQUENCE RFLGAELPYS VTVEIERFVS NERGGYDING LILVEREGQK KMVIGNKGAK DATA SEQUENCE IKTIGIEARK DMQEMFEAPV HLELWVKVKS GWADDERALR SLG 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.223 176.300 -0.129 0.000 2.045 4 D CA 0.000 53.955 54.000 -0.075 0.000 0.868 4 D CB 0.000 40.768 40.800 -0.053 0.000 0.688 5 K N 1.002 121.318 120.400 -0.140 0.000 2.286 5 K HA 0.504 4.824 4.320 0.001 0.000 0.256 5 K C 0.201 176.553 176.600 -0.413 0.000 0.999 5 K CA 0.178 56.299 56.287 -0.277 0.000 0.908 5 K CB 0.823 33.158 32.500 -0.275 0.000 0.981 5 K HN 0.195 nan 8.250 nan 0.000 0.500 6 S N 0.645 115.963 115.700 -0.637 0.000 2.546 6 S HA 0.549 5.020 4.470 0.001 0.000 0.274 6 S C -1.635 172.489 174.600 -0.794 0.000 1.121 6 S CA -0.958 56.882 58.200 -0.600 0.000 0.887 6 S CB 0.684 63.643 63.200 -0.402 0.000 1.094 6 S HN 0.442 nan 8.310 nan 0.000 0.474 7 Y N 0.278 120.512 120.300 -0.111 0.000 2.499 7 Y HA 0.824 5.375 4.550 0.001 0.000 0.347 7 Y C 0.185 176.139 175.900 0.090 0.000 0.987 7 Y CA -1.073 57.037 58.100 0.017 0.000 1.044 7 Y CB 1.831 40.347 38.460 0.093 0.000 1.245 7 Y HN 1.071 nan 8.280 nan 0.000 0.461 8 C N 1.358 120.790 119.300 0.219 0.000 3.046 8 C HA 0.934 5.395 4.460 0.001 0.000 0.388 8 C C -0.497 174.567 174.990 0.124 0.000 1.041 8 C CA 0.104 59.199 59.018 0.127 0.000 1.241 8 C CB 0.658 28.473 27.740 0.125 0.000 1.638 8 C HN 1.274 nan 8.230 nan 0.000 0.539 9 G N 3.250 112.071 108.800 0.036 0.000 2.646 9 G HA2 0.647 4.608 3.960 0.001 0.000 0.291 9 G HA3 0.647 4.608 3.960 0.001 0.000 0.291 9 G C -1.643 173.207 174.900 -0.084 0.000 1.445 9 G CA -0.548 44.596 45.100 0.072 0.000 0.814 9 G HN 0.664 nan 8.290 nan 0.000 0.495 10 F N -0.031 119.935 119.950 0.027 0.000 2.384 10 F HA 0.692 5.220 4.527 0.001 0.000 0.338 10 F C 0.749 176.537 175.800 -0.020 0.000 1.103 10 F CA -0.132 57.862 58.000 -0.011 0.000 1.157 10 F CB 1.512 40.518 39.000 0.010 0.000 1.167 10 F HN 0.107 nan 8.300 nan 0.000 0.529 11 I N 1.956 122.583 120.570 0.095 0.000 2.647 11 I HA 0.600 4.771 4.170 0.001 0.000 0.295 11 I C -0.632 175.586 176.117 0.168 0.000 1.078 11 I CA -0.783 60.564 61.300 0.078 0.000 1.048 11 I CB 2.031 39.992 38.000 -0.065 0.000 1.239 11 I HN 0.675 nan 8.210 nan 0.000 0.421 12 A N 6.699 129.616 122.820 0.161 0.000 2.294 12 A HA 0.891 5.212 4.320 0.001 0.000 0.330 12 A C -0.666 177.016 177.584 0.164 0.000 1.133 12 A CA -0.461 51.669 52.037 0.155 0.000 0.836 12 A CB 0.874 19.936 19.000 0.103 0.000 1.190 12 A HN 0.634 nan 8.150 nan 0.000 0.492 13 I N 2.595 123.248 120.570 0.138 0.000 2.542 13 I HA 0.304 4.475 4.170 0.001 0.000 0.278 13 I C -0.423 175.751 176.117 0.094 0.000 1.069 13 I CA -0.559 60.808 61.300 0.112 0.000 1.100 13 I CB 1.370 39.415 38.000 0.075 0.000 1.204 13 I HN 0.556 nan 8.210 nan 0.000 0.470 14 V N 2.198 122.182 119.914 0.117 0.000 3.093 14 V HA 1.128 5.249 4.120 0.001 0.000 0.320 14 V C 0.193 176.410 176.094 0.206 0.000 1.093 14 V CA -0.504 61.858 62.300 0.103 0.000 1.016 14 V CB 1.725 33.561 31.823 0.022 0.000 1.096 14 V HN 0.887 nan 8.190 nan 0.000 0.452 15 G N 1.362 110.267 108.800 0.174 0.000 2.352 15 G HA2 0.353 4.314 3.960 0.001 0.000 0.303 15 G HA3 0.353 4.314 3.960 0.001 0.000 0.303 15 G C -0.824 174.146 174.900 0.117 0.000 1.593 15 G CA -0.607 44.642 45.100 0.248 0.000 0.963 15 G HN 1.397 nan 8.290 nan 0.000 0.685 16 R N 1.202 121.762 120.500 0.100 0.000 2.738 16 R HA 0.503 4.844 4.340 0.001 0.000 0.268 16 R C -2.073 174.239 176.300 0.021 0.000 1.062 16 R CA -0.756 55.362 56.100 0.030 0.000 1.158 16 R CB 0.225 30.521 30.300 -0.006 0.000 1.046 16 R HN 0.362 nan 8.270 nan 0.000 0.493 17 P HA -0.105 nan 4.420 nan 0.000 0.267 17 P C -0.845 176.454 177.300 -0.001 0.000 1.200 17 P CA 0.081 63.184 63.100 0.004 0.000 0.772 17 P CB 0.254 31.954 31.700 0.000 0.000 0.855 18 N N 0.227 118.926 118.700 -0.002 0.000 2.780 18 N HA -0.102 4.639 4.740 0.001 0.000 0.247 18 N C 0.342 175.846 175.510 -0.010 0.000 1.076 18 N CA 0.475 53.520 53.050 -0.008 0.000 0.688 18 N CB -1.760 36.722 38.487 -0.009 0.000 0.957 18 N HN 0.225 nan 8.380 nan 0.000 0.551 19 V N -1.446 118.463 119.914 -0.008 0.000 3.612 19 V HA 0.340 4.461 4.120 0.001 0.000 0.268 19 V C 1.615 177.697 176.094 -0.020 0.000 1.365 19 V CA 1.126 63.419 62.300 -0.012 0.000 1.044 19 V CB 0.923 32.744 31.823 -0.003 0.000 0.820 19 V HN 0.672 nan 8.190 nan 0.000 0.444 20 G N 0.614 109.402 108.800 -0.019 0.000 2.148 20 G HA2 -0.185 3.776 3.960 0.001 0.000 0.157 20 G HA3 -0.185 3.776 3.960 0.001 0.000 0.157 20 G C 0.692 175.574 174.900 -0.030 0.000 1.012 20 G CA 0.336 45.419 45.100 -0.028 0.000 0.677 20 G HN 0.378 nan 8.290 nan 0.000 0.506 21 K N 0.445 120.835 120.400 -0.017 0.000 2.026 21 K HA -0.019 4.302 4.320 0.001 0.000 0.208 21 K C 2.665 179.243 176.600 -0.036 0.000 1.048 21 K CA 1.631 57.908 56.287 -0.017 0.000 0.929 21 K CB -0.264 32.240 32.500 0.007 0.000 0.713 21 K HN 0.270 nan 8.250 nan 0.000 0.439 22 S N 0.090 115.773 115.700 -0.027 0.000 2.368 22 S HA -0.125 4.346 4.470 0.001 0.000 0.225 22 S C 1.858 176.431 174.600 -0.044 0.000 1.030 22 S CA 1.735 59.917 58.200 -0.030 0.000 0.999 22 S CB -0.268 62.923 63.200 -0.014 0.000 0.844 22 S HN 0.302 nan 8.310 nan 0.000 0.459 23 T N 2.404 116.932 114.554 -0.044 0.000 2.857 23 T HA -0.004 4.346 4.350 0.001 0.000 0.266 23 T C 1.671 176.330 174.700 -0.068 0.000 1.048 23 T CA 1.198 63.268 62.100 -0.049 0.000 1.139 23 T CB -0.378 68.464 68.868 -0.045 0.000 0.874 23 T HN 0.305 nan 8.240 nan 0.000 0.455 24 L N 1.367 122.544 121.223 -0.077 0.000 2.056 24 L HA 0.079 4.420 4.340 0.001 0.000 0.207 24 L C 2.124 178.901 176.870 -0.155 0.000 1.078 24 L CA 1.407 56.187 54.840 -0.101 0.000 0.749 24 L CB -0.959 41.046 42.059 -0.089 0.000 0.901 24 L HN 0.171 nan 8.230 nan 0.000 0.433 25 L N 0.338 121.461 121.223 -0.167 0.000 1.970 25 L HA -0.246 4.095 4.340 0.001 0.000 0.212 25 L C 2.232 178.977 176.870 -0.208 0.000 1.071 25 L CA 2.023 56.712 54.840 -0.252 0.000 0.751 25 L CB -1.280 40.671 42.059 -0.181 0.000 0.889 25 L HN 0.368 nan 8.230 nan 0.000 0.432 26 N N -0.154 118.477 118.700 -0.115 0.000 2.192 26 N HA -0.190 4.551 4.740 0.001 0.000 0.188 26 N C 1.728 177.188 175.510 -0.084 0.000 1.013 26 N CA 1.163 54.170 53.050 -0.072 0.000 0.863 26 N CB -0.338 38.128 38.487 -0.035 0.000 0.990 26 N HN 0.322 nan 8.380 nan 0.000 0.430 27 K N 0.897 121.234 120.400 -0.104 0.000 2.097 27 K HA 0.071 4.392 4.320 0.001 0.000 0.205 27 K C 2.159 178.669 176.600 -0.151 0.000 1.050 27 K CA 0.448 56.674 56.287 -0.101 0.000 0.938 27 K CB -0.579 31.863 32.500 -0.096 0.000 0.718 27 K HN 0.263 nan 8.250 nan 0.000 0.442 28 L N 0.259 121.347 121.223 -0.225 0.000 2.072 28 L HA -0.063 4.278 4.340 0.001 0.000 0.205 28 L C 2.217 178.851 176.870 -0.393 0.000 1.079 28 L CA 0.717 55.363 54.840 -0.323 0.000 0.752 28 L CB -0.435 41.351 42.059 -0.454 0.000 0.906 28 L HN 0.059 nan 8.230 nan 0.000 0.436 29 L N 0.002 121.079 121.223 -0.243 0.000 2.187 29 L HA -0.133 4.208 4.340 0.001 0.000 0.213 29 L C 1.668 178.518 176.870 -0.034 0.000 1.100 29 L CA 1.004 55.799 54.840 -0.076 0.000 0.765 29 L CB -1.062 40.998 42.059 0.002 0.000 0.904 29 L HN 0.593 nan 8.230 nan 0.000 0.437 30 G N 0.328 109.082 108.800 -0.076 0.000 2.153 30 G HA2 -0.297 3.664 3.960 0.001 0.000 0.252 30 G HA3 -0.297 3.664 3.960 0.001 0.000 0.252 30 G C 0.277 175.221 174.900 0.075 0.000 0.994 30 G CA 0.490 45.588 45.100 -0.004 0.000 0.698 30 G HN 0.613 nan 8.290 nan 0.000 0.521 31 Q N -0.456 119.383 119.800 0.065 0.000 2.304 31 Q HA 0.610 4.951 4.340 0.001 0.000 0.260 31 Q C 1.251 177.292 176.000 0.069 0.000 0.965 31 Q CA 0.066 55.912 55.803 0.071 0.000 0.898 31 Q CB 1.554 30.328 28.738 0.062 0.000 1.196 31 Q HN 0.157 nan 8.270 nan 0.000 0.402 32 K N 3.124 123.552 120.400 0.047 0.000 1.977 32 K HA -0.065 4.256 4.320 0.001 0.000 0.218 32 K C 0.302 176.898 176.600 -0.007 0.000 1.051 32 K CA 1.397 57.678 56.287 -0.010 0.000 0.953 32 K CB 0.001 32.415 32.500 -0.144 0.000 0.727 32 K HN 0.764 nan 8.250 nan 0.000 0.445 33 I N 1.602 122.160 120.570 -0.019 0.000 2.291 33 I HA 0.115 4.286 4.170 0.001 0.000 0.290 33 I C -0.320 175.799 176.117 0.003 0.000 1.050 33 I CA -0.493 60.799 61.300 -0.013 0.000 1.245 33 I CB 1.570 39.555 38.000 -0.026 0.000 1.405 33 I HN 0.106 nan 8.210 nan 0.000 0.478 34 S N 6.651 122.355 115.700 0.008 0.000 2.669 34 S HA 0.597 5.068 4.470 0.001 0.000 0.270 34 S C 0.038 174.642 174.600 0.007 0.000 1.225 34 S CA -0.467 57.744 58.200 0.017 0.000 0.991 34 S CB 1.417 64.625 63.200 0.013 0.000 0.987 34 S HN 0.413 nan 8.310 nan 0.000 0.552 35 I N 1.794 122.380 120.570 0.027 0.000 2.623 35 I HA 0.163 4.333 4.170 0.001 0.000 0.275 35 I C -0.552 175.594 176.117 0.049 0.000 1.108 35 I CA -0.150 61.155 61.300 0.009 0.000 1.120 35 I CB 1.296 39.274 38.000 -0.038 0.000 1.249 35 I HN 0.415 nan 8.210 nan 0.000 0.500 36 T N 4.113 118.680 114.554 0.023 0.000 2.723 36 T HA 0.196 4.546 4.350 0.001 0.000 0.297 36 T C 0.758 175.479 174.700 0.035 0.000 0.925 36 T CA -0.196 61.921 62.100 0.028 0.000 1.030 36 T CB 0.648 69.519 68.868 0.005 0.000 0.905 36 T HN 0.708 nan 8.240 nan 0.000 0.502 37 S N 4.159 119.896 115.700 0.061 0.000 2.549 37 S HA 0.439 4.910 4.470 0.001 0.000 0.260 37 S C 0.649 175.274 174.600 0.041 0.000 1.217 37 S CA -0.529 57.709 58.200 0.063 0.000 1.001 37 S CB 0.623 63.880 63.200 0.095 0.000 1.059 37 S HN 0.580 nan 8.310 nan 0.000 0.537 38 R N -0.986 119.538 120.500 0.040 0.000 2.471 38 R HA 0.255 4.596 4.340 0.001 0.000 0.340 38 R C -1.068 175.250 176.300 0.030 0.000 0.743 38 R CA -0.331 55.787 56.100 0.030 0.000 0.989 38 R CB -0.392 29.926 30.300 0.029 0.000 1.631 38 R HN 0.567 nan 8.270 nan 0.000 0.541 39 K N 1.826 122.246 120.400 0.033 0.000 2.250 39 K HA 0.153 4.474 4.320 0.001 0.000 0.277 39 K C 1.137 177.748 176.600 0.018 0.000 1.091 39 K CA 0.146 56.450 56.287 0.028 0.000 1.046 39 K CB 0.350 32.869 32.500 0.032 0.000 0.982 39 K HN 0.225 nan 8.250 nan 0.000 0.429 40 A N 4.454 127.285 122.820 0.018 0.000 2.248 40 A HA -0.071 4.250 4.320 0.001 0.000 0.210 40 A C -0.004 177.585 177.584 0.009 0.000 1.174 40 A CA 0.563 52.607 52.037 0.013 0.000 0.750 40 A CB -0.148 18.861 19.000 0.014 0.000 0.780 40 A HN 0.635 nan 8.150 nan 0.000 0.478 41 Q N 1.048 120.854 119.800 0.011 0.000 2.337 41 Q HA 0.264 4.605 4.340 0.001 0.000 0.255 41 Q C -0.799 175.201 176.000 0.000 0.000 0.997 41 Q CA 0.147 55.955 55.803 0.008 0.000 0.925 41 Q CB 0.102 28.847 28.738 0.011 0.000 1.212 41 Q HN 0.153 nan 8.270 nan 0.000 0.436 42 T N 3.043 117.594 114.554 -0.005 0.000 2.780 42 T HA 0.226 4.577 4.350 0.001 0.000 0.294 42 T C 0.464 175.145 174.700 -0.032 0.000 0.949 42 T CA -0.350 61.736 62.100 -0.022 0.000 1.074 42 T CB 0.561 69.418 68.868 -0.019 0.000 0.910 42 T HN 0.633 nan 8.240 nan 0.000 0.501 43 T N 2.170 116.675 114.554 -0.082 0.000 2.855 43 T HA 0.099 4.450 4.350 0.001 0.000 0.322 43 T C 1.296 175.951 174.700 -0.075 0.000 1.088 43 T CA -0.429 61.595 62.100 -0.127 0.000 1.104 43 T CB 0.750 69.323 68.868 -0.491 0.000 0.996 43 T HN 0.522 nan 8.240 nan 0.000 0.549 44 R N 0.221 120.749 120.500 0.046 0.000 2.254 44 R HA 0.010 4.350 4.340 0.001 0.000 0.195 44 R C 2.039 178.401 176.300 0.102 0.000 0.957 44 R CA 0.680 56.828 56.100 0.079 0.000 1.024 44 R CB -0.118 30.246 30.300 0.107 0.000 0.952 44 R HN 0.866 nan 8.270 nan 0.000 0.484 45 H N -0.918 118.173 119.070 0.035 0.000 2.654 45 H HA 0.252 4.809 4.556 0.001 0.000 0.264 45 H C 0.257 175.622 175.328 0.061 0.000 0.954 45 H CA -0.155 55.922 56.048 0.048 0.000 1.199 45 H CB 0.413 30.228 29.762 0.087 0.000 1.446 45 H HN -0.136 nan 8.280 nan 0.000 0.516 46 R N -0.009 120.278 120.500 -0.355 0.000 3.994 46 R HA -0.145 4.196 4.340 0.001 0.000 0.403 46 R C -0.064 176.146 176.300 -0.150 0.000 1.126 46 R CA 0.783 56.753 56.100 -0.216 0.000 1.143 46 R CB -2.817 27.451 30.300 -0.052 0.000 1.695 46 R HN 0.438 nan 8.270 nan 0.000 0.555 47 I N 0.496 120.956 120.570 -0.183 0.000 2.556 47 I HA 0.013 4.184 4.170 0.001 0.000 0.284 47 I C 1.796 177.911 176.117 -0.005 0.000 1.114 47 I CA 0.175 61.528 61.300 0.089 0.000 1.418 47 I CB 1.136 39.326 38.000 0.317 0.000 1.394 47 I HN -0.202 nan 8.210 nan 0.000 0.552 48 V N 4.717 124.657 119.914 0.044 0.000 3.604 48 V HA 0.437 4.557 4.120 0.001 0.000 0.277 48 V C 0.543 176.662 176.094 0.041 0.000 1.399 48 V CA 0.710 63.029 62.300 0.031 0.000 1.034 48 V CB 0.765 32.615 31.823 0.044 0.000 0.824 48 V HN 0.996 nan 8.190 nan 0.000 0.439 49 G N -0.090 108.747 108.800 0.062 0.000 2.361 49 G HA2 0.436 4.397 3.960 0.001 0.000 0.299 49 G HA3 0.436 4.397 3.960 0.001 0.000 0.299 49 G C -1.749 173.211 174.900 0.099 0.000 1.544 49 G CA -0.595 44.543 45.100 0.064 0.000 0.860 49 G HN -0.019 nan 8.290 nan 0.000 0.610 50 I N 1.501 122.103 120.570 0.054 0.000 2.512 50 I HA 0.313 4.484 4.170 0.001 0.000 0.287 50 I C -0.567 175.626 176.117 0.128 0.000 1.069 50 I CA -0.760 60.547 61.300 0.011 0.000 1.056 50 I CB 2.344 40.221 38.000 -0.205 0.000 1.229 50 I HN 0.664 nan 8.210 nan 0.000 0.429 51 H N 5.926 125.049 119.070 0.088 0.000 2.597 51 H HA 0.456 5.013 4.556 0.001 0.000 0.303 51 H C -1.259 174.086 175.328 0.028 0.000 1.057 51 H CA -0.209 55.907 56.048 0.113 0.000 1.261 51 H CB 1.144 31.069 29.762 0.271 0.000 1.397 51 H HN 0.507 nan 8.280 nan 0.000 0.461 52 T N 5.186 119.557 114.554 -0.305 0.000 2.829 52 T HA 0.264 4.615 4.350 0.001 0.000 0.280 52 T C -0.692 173.829 174.700 -0.297 0.000 0.999 52 T CA -0.803 61.120 62.100 -0.296 0.000 0.983 52 T CB 1.845 70.629 68.868 -0.140 0.000 0.968 52 T HN 0.721 nan 8.240 nan 0.000 0.446 53 E N 1.872 121.968 120.200 -0.173 0.000 2.397 53 E HA 0.457 4.808 4.350 0.001 0.000 0.293 53 E C 0.473 177.149 176.600 0.128 0.000 0.930 53 E CA -0.179 56.202 56.400 -0.031 0.000 0.793 53 E CB 1.037 30.685 29.700 -0.086 0.000 1.259 53 E HN 0.837 nan 8.360 nan 0.000 0.406 54 G N 3.200 112.077 108.800 0.128 0.000 2.634 54 G HA2 -0.418 3.543 3.960 0.001 0.000 0.309 54 G HA3 -0.418 3.543 3.960 0.001 0.000 0.309 54 G C 0.850 175.814 174.900 0.107 0.000 1.265 54 G CA 0.843 46.023 45.100 0.134 0.000 0.998 54 G HN 1.168 nan 8.290 nan 0.000 0.551 55 A N -0.880 121.922 122.820 -0.030 0.000 2.251 55 A HA 0.568 4.888 4.320 0.001 0.000 0.209 55 A C 0.512 178.034 177.584 -0.103 0.000 1.187 55 A CA 0.894 52.833 52.037 -0.162 0.000 0.823 55 A CB -0.071 18.729 19.000 -0.334 0.000 0.846 55 A HN 0.679 nan 8.150 nan 0.000 0.486 56 Y N -0.409 120.042 120.300 0.252 0.000 2.342 56 Y HA 0.559 5.110 4.550 0.001 0.000 0.334 56 Y C 0.340 176.165 175.900 -0.126 0.000 1.067 56 Y CA -0.752 57.433 58.100 0.142 0.000 1.128 56 Y CB 1.089 39.596 38.460 0.079 0.000 1.200 56 Y HN 0.284 nan 8.280 nan 0.000 0.464 57 Q N 2.495 122.220 119.800 -0.125 0.000 2.337 57 Q HA 0.730 5.071 4.340 0.001 0.000 0.260 57 Q C -1.782 174.103 176.000 -0.192 0.000 0.982 57 Q CA -0.704 54.893 55.803 -0.343 0.000 0.734 57 Q CB 1.175 29.427 28.738 -0.811 0.000 1.272 57 Q HN 0.859 nan 8.270 nan 0.000 0.461 58 A N 5.272 127.984 122.820 -0.179 0.000 2.274 58 A HA 0.581 4.902 4.320 0.001 0.000 0.309 58 A C -0.511 176.802 177.584 -0.452 0.000 1.226 58 A CA -0.566 51.275 52.037 -0.326 0.000 0.853 58 A CB 0.319 19.080 19.000 -0.399 0.000 1.146 58 A HN 0.840 nan 8.150 nan 0.000 0.518 59 I N 3.521 123.791 120.570 -0.500 0.000 2.347 59 I HA 0.167 4.337 4.170 0.001 0.000 0.283 59 I C -1.077 174.869 176.117 -0.286 0.000 1.058 59 I CA -0.327 60.706 61.300 -0.445 0.000 1.202 59 I CB 0.260 37.776 38.000 -0.807 0.000 1.386 59 I HN 0.570 nan 8.210 nan 0.000 0.475 60 Y N 6.014 126.305 120.300 -0.015 0.000 2.480 60 Y HA 0.312 4.862 4.550 0.001 0.000 0.341 60 Y C 0.654 176.595 175.900 0.069 0.000 1.031 60 Y CA -0.484 57.641 58.100 0.041 0.000 1.295 60 Y CB 0.548 39.021 38.460 0.022 0.000 1.162 60 Y HN 0.360 nan 8.280 nan 0.000 0.523 61 V N -0.384 119.678 119.914 0.245 0.000 3.234 61 V HA 0.591 4.711 4.120 0.001 0.000 0.317 61 V C -0.023 176.147 176.094 0.126 0.000 1.147 61 V CA -0.914 61.493 62.300 0.178 0.000 1.037 61 V CB 2.261 34.205 31.823 0.202 0.000 1.148 61 V HN 0.685 nan 8.190 nan 0.000 0.455 62 D N -0.960 119.480 120.400 0.068 0.000 2.593 62 D HA 0.259 4.900 4.640 0.001 0.000 0.241 62 D C 0.156 176.474 176.300 0.029 0.000 1.257 62 D CA -0.047 53.981 54.000 0.046 0.000 0.828 62 D CB 0.523 41.335 40.800 0.020 0.000 1.049 62 D HN 0.634 nan 8.370 nan 0.000 0.490 63 T N 0.697 115.273 114.554 0.036 0.000 2.886 63 T HA 0.373 4.723 4.350 0.001 0.000 0.292 63 T C -2.056 172.657 174.700 0.021 0.000 1.012 63 T CA -1.760 60.349 62.100 0.015 0.000 0.982 63 T CB 2.236 71.107 68.868 0.006 0.000 1.018 63 T HN -0.270 nan 8.240 nan 0.000 0.451 64 P HA 0.155 nan 4.420 nan 0.000 0.217 64 P C 0.590 177.895 177.300 0.009 0.000 1.151 64 P CA 0.612 63.714 63.100 0.004 0.000 0.828 64 P CB 0.136 31.819 31.700 -0.029 0.000 0.788 65 G N 0.106 108.903 108.800 -0.004 0.000 2.643 65 G HA2 0.538 4.499 3.960 0.001 0.000 0.305 65 G HA3 0.538 4.499 3.960 0.001 0.000 0.305 65 G C -1.118 173.774 174.900 -0.014 0.000 1.387 65 G CA -0.598 44.497 45.100 -0.009 0.000 0.982 65 G HN 0.004 nan 8.290 nan 0.000 0.501 66 L N 2.948 124.143 121.223 -0.046 0.000 2.369 66 L HA 0.214 4.555 4.340 0.001 0.000 0.279 66 L C 0.744 177.616 176.870 0.003 0.000 1.108 66 L CA -0.874 53.924 54.840 -0.070 0.000 0.852 66 L CB 0.463 42.387 42.059 -0.225 0.000 1.169 66 L HN 0.624 nan 8.230 nan 0.000 0.452 67 H N 2.908 121.934 119.070 -0.074 0.000 2.607 67 H HA 0.054 4.611 4.556 0.001 0.000 0.367 67 H C 0.702 175.995 175.328 -0.057 0.000 1.181 67 H CA -0.272 55.744 56.048 -0.054 0.000 1.402 67 H CB 1.040 30.779 29.762 -0.038 0.000 1.474 67 H HN 0.559 nan 8.280 nan 0.000 0.596 68 M N 1.525 120.930 119.600 -0.326 0.000 2.149 68 M HA -0.127 4.354 4.480 0.001 0.000 0.261 68 M C 2.060 178.100 176.300 -0.433 0.000 1.064 68 M CA 1.796 56.892 55.300 -0.339 0.000 1.102 68 M CB -0.634 31.827 32.600 -0.233 0.000 1.369 68 M HN 0.866 nan 8.290 nan 0.000 0.408 69 E N -0.240 119.473 120.200 -0.812 0.000 2.085 69 E HA -0.265 4.086 4.350 0.001 0.000 0.194 69 E C 1.557 178.044 176.600 -0.188 0.000 0.994 69 E CA 1.700 57.855 56.400 -0.408 0.000 0.801 69 E CB -0.136 29.367 29.700 -0.328 0.000 0.743 69 E HN 0.624 nan 8.360 nan 0.000 0.453 70 E N -0.010 120.097 120.200 -0.156 0.000 2.338 70 E HA -0.094 4.256 4.350 0.001 0.000 0.197 70 E C 1.831 178.391 176.600 -0.066 0.000 1.007 70 E CA 0.754 57.125 56.400 -0.047 0.000 0.849 70 E CB 0.189 29.880 29.700 -0.015 0.000 0.774 70 E HN 0.170 nan 8.360 nan 0.000 0.506 71 K N -0.159 120.168 120.400 -0.122 0.000 2.128 71 K HA 0.100 4.421 4.320 0.001 0.000 0.202 71 K C 1.962 178.519 176.600 -0.072 0.000 1.050 71 K CA 0.288 56.503 56.287 -0.120 0.000 0.966 71 K CB 0.244 32.661 32.500 -0.138 0.000 0.759 71 K HN -0.053 nan 8.250 nan 0.000 0.454 72 R N 0.497 120.951 120.500 -0.078 0.000 2.096 72 R HA -0.070 4.271 4.340 0.001 0.000 0.235 72 R C 2.232 178.520 176.300 -0.020 0.000 1.127 72 R CA 1.365 57.434 56.100 -0.051 0.000 0.968 72 R CB -0.364 29.899 30.300 -0.062 0.000 0.861 72 R HN 0.154 nan 8.270 nan 0.000 0.440 73 A N 1.344 124.165 122.820 0.002 0.000 1.929 73 A HA -0.060 4.260 4.320 0.001 0.000 0.216 73 A C 2.210 179.827 177.584 0.055 0.000 1.176 73 A CA 0.833 52.899 52.037 0.047 0.000 0.628 73 A CB -0.356 18.707 19.000 0.106 0.000 0.816 73 A HN 0.142 nan 8.150 nan 0.000 0.444 74 I N 0.097 120.716 120.570 0.082 0.000 2.226 74 I HA -0.262 3.908 4.170 0.001 0.000 0.245 74 I C 2.192 178.326 176.117 0.027 0.000 1.100 74 I CA 1.091 62.460 61.300 0.115 0.000 1.374 74 I CB -0.432 37.654 38.000 0.143 0.000 1.057 74 I HN 0.301 nan 8.210 nan 0.000 0.413 75 N N 1.090 119.782 118.700 -0.013 0.000 2.084 75 N HA -0.150 4.591 4.740 0.001 0.000 0.190 75 N C 1.950 177.444 175.510 -0.027 0.000 1.030 75 N CA 1.337 54.362 53.050 -0.040 0.000 0.849 75 N CB -0.290 38.177 38.487 -0.034 0.000 1.012 75 N HN 0.301 nan 8.380 nan 0.000 0.423 76 R N 0.715 121.209 120.500 -0.010 0.000 2.105 76 R HA -0.027 4.314 4.340 0.001 0.000 0.239 76 R C 2.228 178.537 176.300 0.016 0.000 1.135 76 R CA 0.615 56.716 56.100 0.001 0.000 0.967 76 R CB -0.407 29.894 30.300 0.003 0.000 0.861 76 R HN 0.225 nan 8.270 nan 0.000 0.442 77 L N 0.275 121.499 121.223 0.000 0.000 2.083 77 L HA -0.158 4.183 4.340 0.001 0.000 0.209 77 L C 1.879 178.859 176.870 0.183 0.000 1.083 77 L CA 1.638 56.500 54.840 0.038 0.000 0.752 77 L CB -0.047 41.954 42.059 -0.096 0.000 0.899 77 L HN 0.361 nan 8.230 nan 0.000 0.433 78 M N -0.912 118.710 119.600 0.036 0.000 2.541 78 M HA 0.012 4.493 4.480 0.001 0.000 0.252 78 M C -0.030 176.255 176.300 -0.024 0.000 1.125 78 M CA 0.160 55.388 55.300 -0.120 0.000 1.091 78 M CB 0.268 32.672 32.600 -0.327 0.000 1.420 78 M HN 0.262 nan 8.290 nan 0.000 0.486 79 N N 1.951 120.663 118.700 0.019 0.000 2.780 79 N HA -0.129 4.612 4.740 0.001 0.000 0.247 79 N C -0.916 174.588 175.510 -0.011 0.000 1.076 79 N CA 0.857 53.920 53.050 0.023 0.000 0.688 79 N CB -1.085 37.437 38.487 0.059 0.000 0.957 79 N HN 0.443 nan 8.380 nan 0.000 0.551 80 K N 0.003 120.384 120.400 -0.032 0.000 2.295 80 K HA 0.711 5.032 4.320 0.001 0.000 0.239 80 K C 0.164 176.748 176.600 -0.027 0.000 0.991 80 K CA -0.610 55.654 56.287 -0.040 0.000 0.845 80 K CB 1.484 33.945 32.500 -0.065 0.000 1.197 80 K HN 0.179 nan 8.250 nan 0.000 0.441 81 A N 0.878 123.683 122.820 -0.026 0.000 2.520 81 A HA 0.242 4.563 4.320 0.001 0.000 0.245 81 A C 1.219 178.790 177.584 -0.022 0.000 1.072 81 A CA 0.631 52.655 52.037 -0.020 0.000 0.761 81 A CB 0.142 19.131 19.000 -0.020 0.000 1.004 81 A HN 0.875 nan 8.150 nan 0.000 0.499 82 A N 2.589 125.397 122.820 -0.020 0.000 2.042 82 A HA -0.129 4.192 4.320 0.001 0.000 0.222 82 A C 2.307 179.877 177.584 -0.024 0.000 1.167 82 A CA 2.462 54.485 52.037 -0.023 0.000 0.649 82 A CB -0.607 18.379 19.000 -0.022 0.000 0.809 82 A HN 0.838 nan 8.150 nan 0.000 0.457 83 S N -0.518 115.170 115.700 -0.021 0.000 2.461 83 S HA 0.034 4.505 4.470 0.001 0.000 0.228 83 S C 1.175 175.766 174.600 -0.015 0.000 1.005 83 S CA 0.536 58.725 58.200 -0.018 0.000 0.942 83 S CB -0.272 62.918 63.200 -0.017 0.000 0.776 83 S HN 0.585 nan 8.310 nan 0.000 0.514 84 S N 3.104 118.795 115.700 -0.015 0.000 2.575 84 S HA 0.069 4.540 4.470 0.001 0.000 0.295 84 S C 0.486 175.094 174.600 0.012 0.000 1.267 84 S CA -0.475 57.720 58.200 -0.009 0.000 1.074 84 S CB 0.032 63.223 63.200 -0.015 0.000 0.829 84 S HN 0.521 nan 8.310 nan 0.000 0.497 85 S N 6.093 121.807 115.700 0.023 0.000 2.549 85 S HA 0.373 4.844 4.470 0.001 0.000 0.286 85 S C -0.151 174.540 174.600 0.153 0.000 1.314 85 S CA -0.595 57.636 58.200 0.052 0.000 1.062 85 S CB 0.148 63.370 63.200 0.036 0.000 0.865 85 S HN 0.576 nan 8.310 nan 0.000 0.498 86 I N 2.941 123.575 120.570 0.107 0.000 2.466 86 I HA 0.411 4.582 4.170 0.001 0.000 0.289 86 I C 1.229 177.378 176.117 0.053 0.000 1.026 86 I CA -0.434 60.925 61.300 0.099 0.000 1.078 86 I CB 1.084 39.016 38.000 -0.113 0.000 1.249 86 I HN 0.949 nan 8.210 nan 0.000 0.429 87 G N 5.484 114.390 108.800 0.177 0.000 2.522 87 G HA2 0.170 4.131 3.960 0.001 0.000 0.223 87 G HA3 0.170 4.131 3.960 0.001 0.000 0.223 87 G C -0.410 174.477 174.900 -0.021 0.000 1.565 87 G CA 0.027 45.208 45.100 0.135 0.000 1.053 87 G HN 0.592 nan 8.290 nan 0.000 0.547 88 D N -1.833 118.600 120.400 0.055 0.000 2.596 88 D HA 0.303 4.943 4.640 0.001 0.000 0.234 88 D C -0.506 175.849 176.300 0.091 0.000 1.181 88 D CA -0.436 53.563 54.000 -0.002 0.000 0.856 88 D CB 2.593 43.402 40.800 0.015 0.000 1.498 88 D HN 0.101 nan 8.370 nan 0.000 0.446 89 V N 2.404 122.355 119.914 0.062 0.000 2.509 89 V HA -0.078 4.043 4.120 0.001 0.000 0.297 89 V C 1.488 177.658 176.094 0.128 0.000 1.014 89 V CA 0.885 63.261 62.300 0.126 0.000 1.127 89 V CB 0.353 32.226 31.823 0.084 0.000 0.925 89 V HN 0.453 nan 8.190 nan 0.000 0.480 90 E N 3.446 123.743 120.200 0.161 0.000 2.452 90 E HA 0.218 4.569 4.350 0.001 0.000 0.197 90 E C -0.055 176.672 176.600 0.210 0.000 1.022 90 E CA 0.166 56.672 56.400 0.177 0.000 0.890 90 E CB 0.954 30.771 29.700 0.195 0.000 0.918 90 E HN 0.504 nan 8.360 nan 0.000 0.496 91 L N -0.767 120.539 121.223 0.139 0.000 2.775 91 L HA 0.354 4.695 4.340 0.001 0.000 0.263 91 L C -1.840 175.071 176.870 0.068 0.000 1.017 91 L CA -0.875 54.005 54.840 0.068 0.000 0.891 91 L CB 2.188 44.187 42.059 -0.101 0.000 1.482 91 L HN -0.308 nan 8.230 nan 0.000 0.410 92 V N 3.078 123.028 119.914 0.061 0.000 2.760 92 V HA 0.557 4.678 4.120 0.001 0.000 0.309 92 V C -0.601 175.560 176.094 0.112 0.000 1.077 92 V CA -0.453 61.904 62.300 0.094 0.000 0.910 92 V CB 1.894 33.773 31.823 0.094 0.000 1.008 92 V HN 0.591 nan 8.190 nan 0.000 0.424 93 I N 4.894 125.542 120.570 0.129 0.000 2.359 93 I HA 0.366 4.537 4.170 0.001 0.000 0.284 93 I C -1.060 175.184 176.117 0.212 0.000 1.018 93 I CA -0.314 61.066 61.300 0.132 0.000 1.173 93 I CB 1.226 39.279 38.000 0.089 0.000 1.326 93 I HN 0.503 nan 8.210 nan 0.000 0.462 94 F N 8.595 128.562 119.950 0.028 0.000 2.334 94 F HA 0.464 4.992 4.527 0.001 0.000 0.367 94 F C -0.393 175.406 175.800 -0.003 0.000 1.115 94 F CA -1.082 56.938 58.000 0.033 0.000 1.116 94 F CB 0.757 39.804 39.000 0.079 0.000 1.230 94 F HN 0.024 nan 8.300 nan 0.000 0.484 95 V N 7.017 126.989 119.914 0.097 0.000 2.439 95 V HA 0.551 4.672 4.120 0.001 0.000 0.282 95 V C -0.119 175.829 176.094 -0.243 0.000 1.039 95 V CA -0.644 61.592 62.300 -0.107 0.000 0.913 95 V CB 1.245 33.053 31.823 -0.024 0.000 0.983 95 V HN 0.591 nan 8.190 nan 0.000 0.460 96 V N 1.278 121.026 119.914 -0.277 0.000 2.960 96 V HA 0.645 4.766 4.120 0.001 0.000 0.315 96 V C -0.388 175.669 176.094 -0.062 0.000 1.087 96 V CA -0.880 61.306 62.300 -0.190 0.000 0.982 96 V CB 2.021 33.733 31.823 -0.185 0.000 1.039 96 V HN 0.861 nan 8.190 nan 0.000 0.437 97 E N 1.543 121.740 120.200 -0.006 0.000 2.081 97 E HA 0.478 4.828 4.350 0.001 0.000 0.281 97 E C 1.139 177.745 176.600 0.010 0.000 0.986 97 E CA 0.600 56.998 56.400 -0.003 0.000 0.796 97 E CB 0.992 30.688 29.700 -0.007 0.000 1.085 97 E HN 1.300 nan 8.360 nan 0.000 0.398 98 G N 3.962 112.759 108.800 -0.004 0.000 2.723 98 G HA2 -0.414 3.546 3.960 0.001 0.000 0.356 98 G HA3 -0.414 3.546 3.960 0.001 0.000 0.356 98 G C 0.877 175.758 174.900 -0.032 0.000 1.164 98 G CA 1.215 46.307 45.100 -0.015 0.000 0.939 98 G HN 0.575 nan 8.290 nan 0.000 0.570 99 T N 2.062 116.524 114.554 -0.154 0.000 3.132 99 T HA 0.336 4.687 4.350 0.001 0.000 0.274 99 T C 0.877 175.306 174.700 -0.451 0.000 1.011 99 T CA -0.313 61.485 62.100 -0.503 0.000 0.899 99 T CB 0.201 68.875 68.868 -0.324 0.000 1.089 99 T HN 0.336 nan 8.240 nan 0.000 0.543 100 R N 1.456 121.887 120.500 -0.115 0.000 2.490 100 R HA 0.279 4.620 4.340 0.001 0.000 0.278 100 R C -0.996 175.480 176.300 0.294 0.000 1.069 100 R CA -0.230 55.894 56.100 0.039 0.000 1.080 100 R CB 0.880 31.198 30.300 0.031 0.000 1.030 100 R HN 0.381 nan 8.270 nan 0.000 0.491 101 W N 3.619 124.959 121.300 0.067 0.000 2.725 101 W HA 0.118 4.778 4.660 0.001 0.000 0.305 101 W C -1.289 175.301 176.519 0.119 0.000 1.045 101 W CA -0.282 57.166 57.345 0.172 0.000 1.202 101 W CB 1.372 31.042 29.460 0.351 0.000 1.083 101 W HN 0.496 nan 8.180 nan 0.000 0.343 102 T N 3.080 117.506 114.554 -0.213 0.000 2.897 102 T HA 0.328 4.679 4.350 0.001 0.000 0.278 102 T C -1.927 172.598 174.700 -0.291 0.000 0.981 102 T CA -1.249 60.749 62.100 -0.171 0.000 0.973 102 T CB 1.534 70.333 68.868 -0.115 0.000 1.092 102 T HN 0.076 nan 8.240 nan 0.000 0.543 103 P HA 0.036 nan 4.420 nan 0.000 0.230 103 P C 0.685 177.901 177.300 -0.140 0.000 1.158 103 P CA 0.618 63.654 63.100 -0.106 0.000 0.769 103 P CB 0.131 31.811 31.700 -0.033 0.000 0.807 104 D N -0.229 120.076 120.400 -0.159 0.000 2.137 104 D HA -0.106 4.535 4.640 0.001 0.000 0.202 104 D C 1.223 177.410 176.300 -0.188 0.000 0.970 104 D CA 1.160 55.081 54.000 -0.131 0.000 0.837 104 D CB -0.499 40.246 40.800 -0.092 0.000 0.981 104 D HN 0.184 nan 8.370 nan 0.000 0.475 105 D N 0.896 121.084 120.400 -0.354 0.000 2.144 105 D HA -0.151 4.490 4.640 0.001 0.000 0.199 105 D C 1.917 177.893 176.300 -0.539 0.000 0.984 105 D CA 0.925 54.622 54.000 -0.505 0.000 0.834 105 D CB -0.010 40.130 40.800 -1.101 0.000 0.955 105 D HN 0.300 nan 8.370 nan 0.000 0.465 106 E N -0.367 119.482 120.200 -0.584 0.000 2.072 106 E HA -0.201 4.150 4.350 0.001 0.000 0.191 106 E C 1.875 178.447 176.600 -0.047 0.000 0.985 106 E CA 0.610 56.924 56.400 -0.144 0.000 0.801 106 E CB 0.008 29.722 29.700 0.023 0.000 0.750 106 E HN 0.033 nan 8.360 nan 0.000 0.452 107 M N 0.371 119.917 119.600 -0.091 0.000 2.073 107 M HA -0.178 4.303 4.480 0.001 0.000 0.258 107 M C 2.083 178.325 176.300 -0.097 0.000 1.070 107 M CA 1.471 56.730 55.300 -0.068 0.000 1.103 107 M CB -0.503 32.057 32.600 -0.068 0.000 1.321 107 M HN 0.114 nan 8.290 nan 0.000 0.405 108 V N -0.009 119.822 119.914 -0.139 0.000 2.255 108 V HA -0.289 3.832 4.120 0.001 0.000 0.247 108 V C 2.446 178.299 176.094 -0.402 0.000 1.051 108 V CA 1.939 64.082 62.300 -0.262 0.000 1.018 108 V CB -1.026 30.627 31.823 -0.285 0.000 0.641 108 V HN 0.585 nan 8.190 nan 0.000 0.445 109 L N 0.338 121.348 121.223 -0.355 0.000 2.127 109 L HA -0.231 4.110 4.340 0.001 0.000 0.211 109 L C 2.156 178.995 176.870 -0.052 0.000 1.089 109 L CA 2.253 56.985 54.840 -0.181 0.000 0.757 109 L CB -0.938 41.361 42.059 0.400 0.000 0.899 109 L HN 0.523 nan 8.230 nan 0.000 0.434 110 N N -0.200 118.484 118.700 -0.026 0.000 2.106 110 N HA -0.218 4.522 4.740 0.001 0.000 0.188 110 N C 1.666 177.148 175.510 -0.047 0.000 1.029 110 N CA 1.332 54.376 53.050 -0.010 0.000 0.848 110 N CB 0.031 38.520 38.487 0.003 0.000 1.007 110 N HN 0.346 nan 8.380 nan 0.000 0.423 111 K N 0.848 121.200 120.400 -0.080 0.000 2.097 111 K HA -0.085 4.236 4.320 0.001 0.000 0.206 111 K C 1.920 178.471 176.600 -0.082 0.000 1.049 111 K CA 0.902 57.141 56.287 -0.080 0.000 0.933 111 K CB -0.109 32.334 32.500 -0.093 0.000 0.717 111 K HN 0.192 nan 8.250 nan 0.000 0.442 112 L N 0.470 121.623 121.223 -0.117 0.000 2.005 112 L HA -0.112 4.228 4.340 0.001 0.000 0.207 112 L C 2.421 179.256 176.870 -0.058 0.000 1.072 112 L CA 1.141 55.925 54.840 -0.093 0.000 0.744 112 L CB -0.661 41.317 42.059 -0.135 0.000 0.895 112 L HN 0.145 nan 8.230 nan 0.000 0.433 113 R N 1.022 121.488 120.500 -0.056 0.000 2.159 113 R HA -0.212 4.128 4.340 0.001 0.000 0.252 113 R C 0.503 176.773 176.300 -0.049 0.000 1.144 113 R CA 1.868 57.934 56.100 -0.057 0.000 0.961 113 R CB -0.613 29.663 30.300 -0.039 0.000 0.877 113 R HN 0.580 nan 8.270 nan 0.000 0.444 114 E N 0.060 120.236 120.200 -0.039 0.000 1.986 114 E HA 0.494 4.844 4.350 0.001 0.000 0.264 114 E C -0.138 176.446 176.600 -0.028 0.000 1.023 114 E CA -0.425 55.957 56.400 -0.031 0.000 0.834 114 E CB 1.476 31.160 29.700 -0.027 0.000 1.111 114 E HN 0.301 nan 8.360 nan 0.000 0.417 115 G N 1.507 110.294 108.800 -0.022 0.000 2.466 115 G HA2 0.140 4.101 3.960 0.001 0.000 0.291 115 G HA3 0.140 4.101 3.960 0.001 0.000 0.291 115 G C -0.385 174.514 174.900 -0.002 0.000 1.460 115 G CA -0.837 44.256 45.100 -0.011 0.000 0.791 115 G HN 0.134 nan 8.290 nan 0.000 0.505 116 K N -0.344 120.062 120.400 0.010 0.000 2.374 116 K HA 0.361 4.682 4.320 0.001 0.000 0.196 116 K C 0.984 177.607 176.600 0.038 0.000 1.023 116 K CA 0.329 56.627 56.287 0.019 0.000 1.103 116 K CB 0.995 33.508 32.500 0.021 0.000 0.848 116 K HN 0.629 nan 8.250 nan 0.000 0.528 117 A N 3.805 126.652 122.820 0.044 0.000 2.320 117 A HA 0.326 4.647 4.320 0.001 0.000 0.287 117 A C -2.256 175.378 177.584 0.083 0.000 1.181 117 A CA -1.286 50.795 52.037 0.073 0.000 0.831 117 A CB 0.038 19.080 19.000 0.069 0.000 1.102 117 A HN -0.041 nan 8.150 nan 0.000 0.513 118 P HA 0.219 nan 4.420 nan 0.000 0.269 118 P C -0.569 176.800 177.300 0.114 0.000 1.209 118 P CA 0.089 63.270 63.100 0.134 0.000 0.776 118 P CB 1.214 33.060 31.700 0.243 0.000 0.876 119 V N 3.986 123.987 119.914 0.146 0.000 2.577 119 V HA 0.391 4.512 4.120 0.001 0.000 0.303 119 V C -0.863 175.391 176.094 0.266 0.000 1.042 119 V CA -0.994 61.427 62.300 0.201 0.000 0.872 119 V CB 1.640 33.615 31.823 0.254 0.000 0.998 119 V HN 0.211 nan 8.190 nan 0.000 0.423 120 I N 6.794 127.459 120.570 0.159 0.000 2.365 120 I HA 0.395 4.566 4.170 0.001 0.000 0.291 120 I C 0.023 176.160 176.117 0.033 0.000 1.004 120 I CA -0.230 61.123 61.300 0.088 0.000 1.311 120 I CB 1.473 39.485 38.000 0.019 0.000 1.401 120 I HN 0.543 nan 8.210 nan 0.000 0.491 121 L N 6.525 127.658 121.223 -0.150 0.000 2.261 121 L HA 0.558 4.899 4.340 0.001 0.000 0.289 121 L C -0.103 176.624 176.870 -0.238 0.000 1.059 121 L CA -0.544 54.079 54.840 -0.362 0.000 0.816 121 L CB 0.786 42.338 42.059 -0.845 0.000 1.191 121 L HN 0.721 nan 8.230 nan 0.000 0.431 122 A N 5.619 128.328 122.820 -0.185 0.000 2.253 122 A HA 0.521 4.842 4.320 0.001 0.000 0.316 122 A C -0.447 177.043 177.584 -0.156 0.000 1.327 122 A CA -0.469 51.488 52.037 -0.134 0.000 0.917 122 A CB 0.754 19.706 19.000 -0.079 0.000 1.162 122 A HN 0.457 nan 8.150 nan 0.000 0.535 123 V N 4.140 123.976 119.914 -0.131 0.000 2.353 123 V HA 0.168 4.289 4.120 0.001 0.000 0.264 123 V C 0.284 176.337 176.094 -0.068 0.000 1.049 123 V CA -0.642 61.598 62.300 -0.100 0.000 0.896 123 V CB 0.286 32.060 31.823 -0.081 0.000 1.025 123 V HN 0.873 nan 8.190 nan 0.000 0.475 124 N N 3.420 122.083 118.700 -0.061 0.000 2.489 124 N HA 0.330 5.071 4.740 0.001 0.000 0.284 124 N C 0.260 175.749 175.510 -0.036 0.000 1.158 124 N CA -0.582 52.439 53.050 -0.048 0.000 0.965 124 N CB 0.748 39.206 38.487 -0.048 0.000 1.195 124 N HN 0.571 nan 8.380 nan 0.000 0.506 125 K N -0.437 119.942 120.400 -0.035 0.000 3.071 125 K HA -0.169 4.152 4.320 0.001 0.000 0.265 125 K C 0.756 177.340 176.600 -0.027 0.000 1.060 125 K CA 0.530 56.799 56.287 -0.030 0.000 0.767 125 K CB -1.797 30.686 32.500 -0.028 0.000 1.241 125 K HN 0.304 nan 8.250 nan 0.000 0.486 126 V N 1.258 121.156 119.914 -0.027 0.000 2.490 126 V HA -0.231 3.889 4.120 0.001 0.000 0.250 126 V C 1.612 177.694 176.094 -0.021 0.000 1.061 126 V CA 2.331 64.617 62.300 -0.022 0.000 1.064 126 V CB -0.091 31.717 31.823 -0.024 0.000 0.670 126 V HN 0.500 nan 8.190 nan 0.000 0.461 127 D N -1.058 119.328 120.400 -0.023 0.000 2.349 127 D HA -0.085 4.556 4.640 0.001 0.000 0.224 127 D C 1.040 177.327 176.300 -0.021 0.000 1.029 127 D CA 0.608 54.595 54.000 -0.021 0.000 0.879 127 D CB -0.400 40.387 40.800 -0.022 0.000 0.906 127 D HN 0.646 nan 8.370 nan 0.000 0.528 128 N N 0.487 119.174 118.700 -0.022 0.000 2.236 128 N HA 0.060 4.801 4.740 0.001 0.000 0.196 128 N C -0.103 175.393 175.510 -0.023 0.000 1.114 128 N CA -0.195 52.841 53.050 -0.022 0.000 0.859 128 N CB 1.326 39.798 38.487 -0.024 0.000 0.982 128 N HN -0.071 nan 8.380 nan 0.000 0.493 129 V N 2.297 122.197 119.914 -0.024 0.000 2.479 129 V HA -0.032 4.089 4.120 0.001 0.000 0.281 129 V C 1.263 177.343 176.094 -0.023 0.000 1.031 129 V CA 0.119 62.402 62.300 -0.027 0.000 1.038 129 V CB 1.130 32.937 31.823 -0.027 0.000 0.981 129 V HN 0.115 nan 8.190 nan 0.000 0.478 130 Q N 2.745 122.530 119.800 -0.025 0.000 2.062 130 Q HA -0.145 4.196 4.340 0.001 0.000 0.209 130 Q C 0.693 176.682 176.000 -0.018 0.000 0.996 130 Q CA 1.719 57.510 55.803 -0.021 0.000 0.859 130 Q CB -0.069 28.656 28.738 -0.022 0.000 0.920 130 Q HN 0.827 nan 8.270 nan 0.000 0.415 131 E N -1.759 118.429 120.200 -0.019 0.000 2.287 131 E HA 0.147 4.498 4.350 0.001 0.000 0.274 131 E C -0.286 176.305 176.600 -0.014 0.000 0.896 131 E CA -0.267 56.124 56.400 -0.015 0.000 0.788 131 E CB 1.054 30.746 29.700 -0.014 0.000 1.244 131 E HN 0.069 nan 8.360 nan 0.000 0.408 132 K N 2.503 122.897 120.400 -0.009 0.000 2.286 132 K HA -0.150 4.171 4.320 0.001 0.000 0.203 132 K C 1.201 177.801 176.600 0.000 0.000 1.045 132 K CA 1.937 58.222 56.287 -0.004 0.000 0.935 132 K CB -0.214 32.284 32.500 -0.003 0.000 0.737 132 K HN 0.296 nan 8.250 nan 0.000 0.460 133 A N 0.327 123.146 122.820 -0.003 0.000 2.259 133 A HA -0.098 4.222 4.320 0.001 0.000 0.212 133 A C 0.857 178.441 177.584 -0.000 0.000 1.178 133 A CA 1.551 53.587 52.037 -0.001 0.000 0.734 133 A CB -0.363 18.634 19.000 -0.005 0.000 0.774 133 A HN 0.475 nan 8.150 nan 0.000 0.481 134 D N -1.529 118.869 120.400 -0.003 0.000 2.431 134 D HA 0.117 4.758 4.640 0.001 0.000 0.227 134 D C 1.772 178.086 176.300 0.023 0.000 1.030 134 D CA -0.095 53.900 54.000 -0.008 0.000 0.897 134 D CB 0.012 40.789 40.800 -0.038 0.000 1.058 134 D HN 0.273 nan 8.370 nan 0.000 0.500 135 L N 0.616 121.854 121.223 0.025 0.000 1.973 135 L HA -0.073 4.268 4.340 0.001 0.000 0.208 135 L C 2.242 179.163 176.870 0.085 0.000 1.073 135 L CA 1.028 55.904 54.840 0.061 0.000 0.746 135 L CB -0.389 41.688 42.059 0.030 0.000 0.891 135 L HN 0.135 nan 8.230 nan 0.000 0.433 136 L N -0.014 121.237 121.223 0.046 0.000 1.990 136 L HA -0.221 4.120 4.340 0.001 0.000 0.213 136 L C -0.244 176.657 176.870 0.052 0.000 1.072 136 L CA 1.951 56.813 54.840 0.037 0.000 0.755 136 L CB -1.419 40.652 42.059 0.020 0.000 0.889 136 L HN 0.205 nan 8.230 nan 0.000 0.432 137 P HA -0.203 nan 4.420 nan 0.000 0.216 137 P C 1.386 178.758 177.300 0.120 0.000 1.150 137 P CA 1.426 64.565 63.100 0.065 0.000 0.837 137 P CB -0.214 31.511 31.700 0.042 0.000 0.786 138 H N -0.219 118.872 119.070 0.034 0.000 2.299 138 H HA -0.058 4.499 4.556 0.001 0.000 0.302 138 H C 1.878 177.260 175.328 0.089 0.000 1.078 138 H CA 1.234 57.331 56.048 0.082 0.000 1.323 138 H CB -0.507 29.279 29.762 0.040 0.000 1.381 138 H HN 0.004 nan 8.280 nan 0.000 0.498 139 L N 0.627 121.837 121.223 -0.021 0.000 2.012 139 L HA -0.237 4.104 4.340 0.001 0.000 0.210 139 L C 2.816 179.614 176.870 -0.121 0.000 1.073 139 L CA 1.418 56.181 54.840 -0.129 0.000 0.748 139 L CB -0.569 41.461 42.059 -0.049 0.000 0.891 139 L HN 0.412 nan 8.230 nan 0.000 0.431 140 Q N -0.937 118.843 119.800 -0.034 0.000 2.234 140 Q HA -0.243 4.098 4.340 0.001 0.000 0.206 140 Q C 2.042 178.027 176.000 -0.025 0.000 0.980 140 Q CA 1.685 57.478 55.803 -0.018 0.000 0.869 140 Q CB -0.151 28.597 28.738 0.017 0.000 0.912 140 Q HN 0.500 nan 8.270 nan 0.000 0.436 141 F N 0.183 120.031 119.950 -0.171 0.000 2.335 141 F HA -0.003 4.525 4.527 0.001 0.000 0.296 141 F C 1.486 177.108 175.800 -0.296 0.000 1.091 141 F CA 0.660 58.532 58.000 -0.214 0.000 1.399 141 F CB -0.003 38.854 39.000 -0.238 0.000 1.067 141 F HN -0.083 nan 8.300 nan 0.000 0.520 142 L N 0.459 121.209 121.223 -0.789 0.000 2.044 142 L HA -0.050 4.290 4.340 0.001 0.000 0.205 142 L C 2.698 179.410 176.870 -0.264 0.000 1.075 142 L CA 1.106 55.454 54.840 -0.820 0.000 0.747 142 L CB -1.161 40.505 42.059 -0.655 0.000 0.903 142 L HN 0.214 nan 8.230 nan 0.000 0.435 143 A N -1.173 121.579 122.820 -0.113 0.000 2.259 143 A HA -0.106 4.215 4.320 0.001 0.000 0.212 143 A C 2.227 179.789 177.584 -0.036 0.000 1.178 143 A CA 1.401 53.489 52.037 0.086 0.000 0.734 143 A CB -0.349 18.675 19.000 0.040 0.000 0.774 143 A HN 0.375 nan 8.150 nan 0.000 0.481 144 S N -0.897 114.706 115.700 -0.160 0.000 2.503 144 S HA -0.005 4.466 4.470 0.001 0.000 0.215 144 S C 1.797 176.285 174.600 -0.185 0.000 1.003 144 S CA 0.067 58.176 58.200 -0.151 0.000 0.910 144 S CB 0.023 63.146 63.200 -0.128 0.000 0.790 144 S HN 0.575 nan 8.310 nan 0.000 0.514 145 Q N 0.899 120.550 119.800 -0.250 0.000 2.172 145 Q HA 0.133 4.473 4.340 0.001 0.000 0.200 145 Q C 0.854 176.730 176.000 -0.207 0.000 0.964 145 Q CA 0.815 56.498 55.803 -0.200 0.000 0.855 145 Q CB -0.192 28.445 28.738 -0.167 0.000 0.918 145 Q HN 0.733 nan 8.270 nan 0.000 0.444 146 M N -3.292 116.081 119.600 -0.379 0.000 3.118 146 M HA 0.255 4.736 4.480 0.001 0.000 0.276 146 M C -1.338 174.567 176.300 -0.658 0.000 1.099 146 M CA -0.572 54.432 55.300 -0.493 0.000 0.802 146 M CB 1.469 33.762 32.600 -0.511 0.000 1.618 146 M HN -0.145 nan 8.290 nan 0.000 0.535 147 N N 0.803 119.234 118.700 -0.449 0.000 2.482 147 N HA 0.416 5.157 4.740 0.001 0.000 0.242 147 N C -1.717 173.604 175.510 -0.315 0.000 1.100 147 N CA -0.417 52.452 53.050 -0.302 0.000 0.946 147 N CB 0.405 38.808 38.487 -0.140 0.000 1.227 147 N HN 0.411 nan 8.380 nan 0.000 0.508 148 F N 2.945 122.897 119.950 0.002 0.000 2.443 148 F HA 0.110 4.637 4.527 0.001 0.000 0.353 148 F C 1.570 177.382 175.800 0.019 0.000 1.101 148 F CA -0.539 57.472 58.000 0.019 0.000 1.226 148 F CB 0.828 39.836 39.000 0.013 0.000 1.140 148 F HN 0.390 nan 8.300 nan 0.000 0.557 149 L N 0.769 122.115 121.223 0.205 0.000 2.013 149 L HA -0.166 4.174 4.340 0.001 0.000 0.212 149 L C 0.289 177.235 176.870 0.127 0.000 1.073 149 L CA 1.878 56.802 54.840 0.140 0.000 0.753 149 L CB 0.029 42.172 42.059 0.140 0.000 0.890 149 L HN 0.651 nan 8.230 nan 0.000 0.432 150 D N -1.719 118.765 120.400 0.140 0.000 2.655 150 D HA 0.344 4.985 4.640 0.001 0.000 0.229 150 D C -1.218 175.108 176.300 0.043 0.000 1.229 150 D CA -0.455 53.593 54.000 0.080 0.000 0.807 150 D CB 1.946 42.771 40.800 0.041 0.000 1.514 150 D HN -0.093 nan 8.370 nan 0.000 0.444 151 I N 2.423 122.986 120.570 -0.011 0.000 2.411 151 I HA 0.377 4.548 4.170 0.001 0.000 0.284 151 I C -0.417 175.652 176.117 -0.080 0.000 1.012 151 I CA -0.929 60.309 61.300 -0.104 0.000 1.119 151 I CB 1.341 39.276 38.000 -0.107 0.000 1.261 151 I HN 0.123 nan 8.210 nan 0.000 0.448 152 V N 9.261 129.118 119.914 -0.096 0.000 2.577 152 V HA 0.649 4.770 4.120 0.001 0.000 0.303 152 V C -2.531 173.517 176.094 -0.078 0.000 1.042 152 V CA -1.837 60.422 62.300 -0.069 0.000 0.872 152 V CB 2.967 34.760 31.823 -0.050 0.000 0.998 152 V HN 0.517 nan 8.190 nan 0.000 0.423 153 P HA 0.490 nan 4.420 nan 0.000 0.290 153 P C -0.870 176.399 177.300 -0.051 0.000 1.276 153 P CA -0.282 62.785 63.100 -0.057 0.000 0.808 153 P CB 1.432 33.106 31.700 -0.044 0.000 0.966 154 I N -1.390 119.149 120.570 -0.052 0.000 3.074 154 I HA 0.610 4.781 4.170 0.001 0.000 0.310 154 I C -0.728 175.362 176.117 -0.045 0.000 1.153 154 I CA -1.179 60.091 61.300 -0.049 0.000 0.993 154 I CB 2.388 40.355 38.000 -0.055 0.000 1.237 154 I HN 0.140 nan 8.210 nan 0.000 0.443 155 S N 2.093 117.767 115.700 -0.044 0.000 2.438 155 S HA 0.614 5.084 4.470 0.001 0.000 0.316 155 S C 0.969 175.543 174.600 -0.043 0.000 1.084 155 S CA 0.077 58.253 58.200 -0.041 0.000 1.107 155 S CB 1.341 64.519 63.200 -0.038 0.000 0.981 155 S HN 0.910 nan 8.310 nan 0.000 0.466 156 A N 4.191 126.986 122.820 -0.042 0.000 1.909 156 A HA -0.204 4.116 4.320 0.001 0.000 0.221 156 A C 1.874 179.433 177.584 -0.043 0.000 1.223 156 A CA 2.301 54.312 52.037 -0.043 0.000 0.658 156 A CB -0.604 18.372 19.000 -0.040 0.000 0.831 156 A HN 0.954 nan 8.150 nan 0.000 0.462 157 E N -2.638 117.538 120.200 -0.040 0.000 2.489 157 E HA 0.058 4.409 4.350 0.001 0.000 0.204 157 E C 1.101 177.679 176.600 -0.036 0.000 1.006 157 E CA 0.783 57.161 56.400 -0.037 0.000 0.936 157 E CB -0.043 29.636 29.700 -0.035 0.000 1.002 157 E HN 0.396 nan 8.360 nan 0.000 0.488 158 T N 0.379 114.910 114.554 -0.038 0.000 3.057 158 T HA 0.166 4.517 4.350 0.001 0.000 0.254 158 T C 1.084 175.755 174.700 -0.048 0.000 1.094 158 T CA 0.723 62.798 62.100 -0.040 0.000 1.088 158 T CB 0.221 69.067 68.868 -0.037 0.000 0.934 158 T HN 0.479 nan 8.240 nan 0.000 0.497 159 G N 2.533 111.303 108.800 -0.050 0.000 2.333 159 G HA2 -0.223 3.738 3.960 0.001 0.000 0.296 159 G HA3 -0.223 3.738 3.960 0.001 0.000 0.296 159 G C 0.749 175.617 174.900 -0.055 0.000 1.059 159 G CA 0.270 45.335 45.100 -0.058 0.000 1.050 159 G HN 0.380 nan 8.290 nan 0.000 0.508 160 L N -0.062 121.132 121.223 -0.049 0.000 1.924 160 L HA -0.035 4.306 4.340 0.001 0.000 0.222 160 L C 1.310 178.153 176.870 -0.045 0.000 1.081 160 L CA 2.325 57.138 54.840 -0.044 0.000 0.780 160 L CB -0.387 41.648 42.059 -0.041 0.000 0.891 160 L HN 0.441 nan 8.230 nan 0.000 0.434 161 N N -0.445 118.228 118.700 -0.046 0.000 2.635 161 N HA 0.106 4.846 4.740 0.001 0.000 0.307 161 N C 1.022 176.503 175.510 -0.048 0.000 1.433 161 N CA 0.007 53.031 53.050 -0.044 0.000 0.973 161 N CB 1.092 39.556 38.487 -0.040 0.000 1.304 161 N HN 0.110 nan 8.380 nan 0.000 0.507 162 V N 0.484 120.365 119.914 -0.056 0.000 2.591 162 V HA -0.162 3.959 4.120 0.001 0.000 0.249 162 V C 2.081 178.139 176.094 -0.060 0.000 1.053 162 V CA 1.567 63.828 62.300 -0.065 0.000 1.068 162 V CB -0.128 31.647 31.823 -0.079 0.000 0.689 162 V HN 0.426 nan 8.190 nan 0.000 0.462 163 D N -0.444 119.924 120.400 -0.053 0.000 2.117 163 D HA -0.185 4.455 4.640 0.001 0.000 0.197 163 D C 1.897 178.176 176.300 -0.035 0.000 0.987 163 D CA 1.910 55.883 54.000 -0.045 0.000 0.829 163 D CB -0.661 40.114 40.800 -0.042 0.000 0.961 163 D HN 0.380 nan 8.370 nan 0.000 0.460 164 T N 1.183 115.718 114.554 -0.033 0.000 2.737 164 T HA -0.006 4.345 4.350 0.001 0.000 0.265 164 T C 2.228 176.915 174.700 -0.022 0.000 1.038 164 T CA 0.938 63.023 62.100 -0.025 0.000 1.144 164 T CB -0.231 68.622 68.868 -0.025 0.000 0.866 164 T HN 0.188 nan 8.240 nan 0.000 0.434 165 I N 1.275 121.829 120.570 -0.027 0.000 2.493 165 I HA -0.114 4.057 4.170 0.001 0.000 0.254 165 I C 2.811 178.926 176.117 -0.003 0.000 1.160 165 I CA 0.756 62.044 61.300 -0.020 0.000 1.445 165 I CB -0.392 37.591 38.000 -0.027 0.000 1.086 165 I HN 0.185 nan 8.210 nan 0.000 0.433 166 A N 0.760 123.574 122.820 -0.011 0.000 1.930 166 A HA -0.079 4.242 4.320 0.001 0.000 0.217 166 A C 2.522 180.110 177.584 0.005 0.000 1.175 166 A CA 1.667 53.708 52.037 0.008 0.000 0.627 166 A CB -0.622 18.363 19.000 -0.025 0.000 0.815 166 A HN 0.406 nan 8.150 nan 0.000 0.443 167 A N -0.288 122.523 122.820 -0.015 0.000 1.968 167 A HA 0.075 4.396 4.320 0.001 0.000 0.217 167 A C 2.044 179.623 177.584 -0.007 0.000 1.169 167 A CA 1.238 53.258 52.037 -0.029 0.000 0.638 167 A CB -0.479 18.503 19.000 -0.029 0.000 0.812 167 A HN 0.485 nan 8.150 nan 0.000 0.446 168 I N -1.013 119.561 120.570 0.006 0.000 2.286 168 I HA -0.145 4.026 4.170 0.001 0.000 0.245 168 I C 2.308 178.451 176.117 0.043 0.000 1.104 168 I CA 0.619 61.940 61.300 0.035 0.000 1.397 168 I CB -0.329 37.661 38.000 -0.018 0.000 1.072 168 I HN 0.122 nan 8.210 nan 0.000 0.417 169 V N 1.496 121.408 119.914 -0.002 0.000 2.282 169 V HA -0.333 3.787 4.120 0.001 0.000 0.249 169 V C 2.750 178.883 176.094 0.065 0.000 1.057 169 V CA 2.400 64.712 62.300 0.021 0.000 1.032 169 V CB -0.669 31.212 31.823 0.096 0.000 0.645 169 V HN 0.467 nan 8.190 nan 0.000 0.447 170 R N 0.041 120.552 120.500 0.019 0.000 2.115 170 R HA -0.155 4.185 4.340 0.001 0.000 0.230 170 R C 2.219 178.500 176.300 -0.031 0.000 1.111 170 R CA 1.590 57.658 56.100 -0.052 0.000 0.976 170 R CB -0.246 29.905 30.300 -0.248 0.000 0.870 170 R HN 0.408 nan 8.270 nan 0.000 0.445 171 K N -0.625 119.798 120.400 0.038 0.000 2.362 171 K HA -0.094 4.227 4.320 0.001 0.000 0.200 171 K C 0.953 177.592 176.600 0.065 0.000 1.046 171 K CA 0.943 57.255 56.287 0.043 0.000 0.952 171 K CB 0.048 32.601 32.500 0.088 0.000 0.753 171 K HN 0.491 nan 8.250 nan 0.000 0.466 172 H N -0.490 118.581 119.070 0.002 0.000 2.586 172 H HA 0.135 4.692 4.556 0.001 0.000 0.273 172 H C -0.182 175.185 175.328 0.064 0.000 0.997 172 H CA -0.194 55.876 56.048 0.036 0.000 1.177 172 H CB 0.453 30.241 29.762 0.044 0.000 1.471 172 H HN 0.002 nan 8.280 nan 0.000 0.538 173 L N 5.013 126.336 121.223 0.167 0.000 2.325 173 L HA 0.162 4.502 4.340 0.001 0.000 0.284 173 L C -1.883 175.136 176.870 0.249 0.000 1.089 173 L CA -1.791 53.168 54.840 0.198 0.000 0.836 173 L CB 0.458 42.664 42.059 0.244 0.000 1.184 173 L HN -0.056 nan 8.230 nan 0.000 0.444 174 P HA -0.045 nan 4.420 nan 0.000 0.269 174 P C -0.354 177.117 177.300 0.285 0.000 1.217 174 P CA -0.238 62.990 63.100 0.213 0.000 0.783 174 P CB 0.803 32.595 31.700 0.152 0.000 0.898 175 E N 0.219 120.556 120.200 0.228 0.000 2.324 175 E HA 0.402 4.753 4.350 0.001 0.000 0.271 175 E C -0.386 176.185 176.600 -0.047 0.000 1.028 175 E CA 0.093 56.502 56.400 0.015 0.000 0.890 175 E CB 0.436 30.109 29.700 -0.045 0.000 1.004 175 E HN 0.567 nan 8.360 nan 0.000 0.431 176 A N 3.131 125.875 122.820 -0.126 0.000 2.490 176 A HA 0.293 4.614 4.320 0.001 0.000 0.292 176 A C -0.694 176.814 177.584 -0.127 0.000 1.047 176 A CA -0.643 51.334 52.037 -0.100 0.000 0.632 176 A CB 1.536 20.518 19.000 -0.029 0.000 1.323 176 A HN 0.467 nan 8.150 nan 0.000 0.448 177 T N 0.157 114.622 114.554 -0.149 0.000 2.909 177 T HA 0.495 4.846 4.350 0.001 0.000 0.289 177 T C -0.052 174.606 174.700 -0.069 0.000 1.005 177 T CA -0.079 61.925 62.100 -0.159 0.000 1.084 177 T CB -0.097 68.659 68.868 -0.188 0.000 0.975 177 T HN 0.481 nan 8.240 nan 0.000 0.509 178 H N 3.786 122.775 119.070 -0.135 0.000 3.004 178 H HA 0.050 4.606 4.556 0.001 0.000 0.316 178 H C 1.138 176.402 175.328 -0.106 0.000 1.014 178 H CA -0.456 55.549 56.048 -0.071 0.000 1.454 178 H CB 0.606 30.352 29.762 -0.026 0.000 1.472 178 H HN 0.700 nan 8.280 nan 0.000 0.571 179 H N 3.141 122.180 119.070 -0.051 0.000 2.462 179 H HA -0.047 4.509 4.556 0.001 0.000 0.292 179 H C -0.032 175.003 175.328 -0.488 0.000 1.049 179 H CA 0.915 56.784 56.048 -0.298 0.000 1.334 179 H CB 0.364 29.848 29.762 -0.464 0.000 1.404 179 H HN 0.371 nan 8.280 nan 0.000 0.544 180 F N 0.232 120.188 119.950 0.011 0.000 2.522 180 F HA 0.357 4.884 4.527 0.001 0.000 0.324 180 F C -1.918 173.861 175.800 -0.034 0.000 1.077 180 F CA -2.750 55.181 58.000 -0.115 0.000 0.944 180 F CB 1.256 40.172 39.000 -0.140 0.000 1.175 180 F HN -0.178 nan 8.300 nan 0.000 0.468 181 P HA 0.121 nan 4.420 nan 0.000 0.272 181 P C 0.466 177.896 177.300 0.217 0.000 1.230 181 P CA -0.122 63.092 63.100 0.189 0.000 0.788 181 P CB 0.763 32.612 31.700 0.250 0.000 0.949 182 E N 0.678 120.978 120.200 0.167 0.000 2.019 182 E HA -0.204 4.147 4.350 0.001 0.000 0.208 182 E C 0.114 176.787 176.600 0.121 0.000 1.030 182 E CA 1.484 57.961 56.400 0.129 0.000 0.856 182 E CB -0.258 29.504 29.700 0.103 0.000 0.781 182 E HN 0.544 nan 8.360 nan 0.000 0.471 183 D N -0.036 120.437 120.400 0.123 0.000 2.889 183 D HA 0.033 4.674 4.640 0.001 0.000 0.243 183 D C -0.588 175.774 176.300 0.104 0.000 1.270 183 D CA -0.020 54.039 54.000 0.097 0.000 0.838 183 D CB -0.405 40.438 40.800 0.072 0.000 1.040 183 D HN 0.106 nan 8.370 nan 0.000 0.480 184 Y N 1.158 121.460 120.300 0.003 0.000 2.578 184 Y HA 0.046 4.597 4.550 0.001 0.000 0.339 184 Y C 0.720 176.561 175.900 -0.098 0.000 1.231 184 Y CA 0.113 58.205 58.100 -0.013 0.000 1.461 184 Y CB 0.529 39.019 38.460 0.050 0.000 1.323 184 Y HN 0.008 nan 8.280 nan 0.000 0.590 185 I N 4.287 124.620 120.570 -0.395 0.000 2.312 185 I HA 0.186 4.356 4.170 0.001 0.000 0.290 185 I C 0.874 176.809 176.117 -0.304 0.000 1.008 185 I CA -0.325 60.759 61.300 -0.361 0.000 1.226 185 I CB 1.409 39.194 38.000 -0.359 0.000 1.371 185 I HN 0.700 nan 8.210 nan 0.000 0.468 186 T N -0.742 113.663 114.554 -0.249 0.000 3.088 186 T HA 0.006 4.356 4.350 0.001 0.000 0.259 186 T C 0.439 175.078 174.700 -0.101 0.000 1.122 186 T CA 0.326 62.368 62.100 -0.096 0.000 1.095 186 T CB -0.139 68.733 68.868 0.007 0.000 0.930 186 T HN 0.499 nan 8.240 nan 0.000 0.508 187 D N 0.892 121.088 120.400 -0.340 0.000 2.461 187 D HA 0.379 5.020 4.640 0.001 0.000 0.240 187 D C 0.177 176.339 176.300 -0.231 0.000 1.094 187 D CA -0.550 53.284 54.000 -0.277 0.000 0.868 187 D CB 1.054 41.605 40.800 -0.416 0.000 1.062 187 D HN 0.078 nan 8.370 nan 0.000 0.530 188 R N 1.341 121.786 120.500 -0.092 0.000 2.507 188 R HA 0.163 4.504 4.340 0.001 0.000 0.298 188 R C 0.548 176.841 176.300 -0.011 0.000 0.999 188 R CA -0.262 55.809 56.100 -0.048 0.000 1.082 188 R CB 0.390 30.651 30.300 -0.065 0.000 1.246 188 R HN 0.383 nan 8.270 nan 0.000 0.553 189 S N -0.560 115.139 115.700 -0.002 0.000 2.614 189 S HA 0.034 4.505 4.470 0.001 0.000 0.265 189 S C 1.113 175.653 174.600 -0.100 0.000 1.303 189 S CA -0.679 57.483 58.200 -0.064 0.000 1.000 189 S CB 1.358 64.515 63.200 -0.072 0.000 0.935 189 S HN 0.216 nan 8.310 nan 0.000 0.551 190 Q N 0.587 120.199 119.800 -0.312 0.000 2.119 190 Q HA -0.106 4.234 4.340 0.001 0.000 0.201 190 Q C 2.241 177.992 176.000 -0.415 0.000 0.972 190 Q CA 0.989 56.506 55.803 -0.476 0.000 0.847 190 Q CB -0.277 27.855 28.738 -1.010 0.000 0.903 190 Q HN 0.717 nan 8.270 nan 0.000 0.433 191 R N 0.127 120.222 120.500 -0.675 0.000 2.117 191 R HA -0.171 4.170 4.340 0.001 0.000 0.243 191 R C 1.902 178.160 176.300 -0.070 0.000 1.143 191 R CA 1.373 57.200 56.100 -0.456 0.000 0.968 191 R CB -0.152 29.953 30.300 -0.325 0.000 0.863 191 R HN 0.254 nan 8.270 nan 0.000 0.444 192 F N 0.357 120.258 119.950 -0.082 0.000 2.293 192 F HA -0.018 4.510 4.527 0.001 0.000 0.297 192 F C 1.977 177.805 175.800 0.047 0.000 1.089 192 F CA 1.064 59.060 58.000 -0.006 0.000 1.377 192 F CB 0.024 39.014 39.000 -0.016 0.000 1.051 192 F HN -0.069 nan 8.300 nan 0.000 0.511 193 M N -0.122 119.606 119.600 0.213 0.000 2.159 193 M HA -0.187 4.294 4.480 0.001 0.000 0.263 193 M C 2.419 178.787 176.300 0.113 0.000 1.063 193 M CA 1.628 57.071 55.300 0.238 0.000 1.110 193 M CB -0.824 32.044 32.600 0.447 0.000 1.374 193 M HN 0.268 nan 8.290 nan 0.000 0.411 194 A N 0.372 123.316 122.820 0.206 0.000 1.845 194 A HA -0.144 4.177 4.320 0.001 0.000 0.215 194 A C 2.310 179.863 177.584 -0.051 0.000 1.195 194 A CA 2.152 54.260 52.037 0.120 0.000 0.616 194 A CB -0.989 18.242 19.000 0.386 0.000 0.832 194 A HN 0.469 nan 8.150 nan 0.000 0.443 195 S N 0.023 115.640 115.700 -0.138 0.000 2.387 195 S HA -0.230 4.241 4.470 0.001 0.000 0.230 195 S C 1.878 176.299 174.600 -0.300 0.000 1.035 195 S CA 1.713 59.764 58.200 -0.250 0.000 1.014 195 S CB -0.364 62.577 63.200 -0.432 0.000 0.836 195 S HN 0.657 nan 8.310 nan 0.000 0.466 196 E N 1.408 121.377 120.200 -0.384 0.000 2.106 196 E HA -0.025 4.326 4.350 0.001 0.000 0.192 196 E C 1.722 178.253 176.600 -0.115 0.000 0.984 196 E CA 0.965 57.218 56.400 -0.244 0.000 0.806 196 E CB -0.417 29.204 29.700 -0.131 0.000 0.750 196 E HN 0.599 nan 8.360 nan 0.000 0.458 197 I N -0.100 120.406 120.570 -0.106 0.000 2.286 197 I HA -0.187 3.984 4.170 0.001 0.000 0.245 197 I C 2.161 178.240 176.117 -0.064 0.000 1.104 197 I CA 0.715 61.963 61.300 -0.087 0.000 1.397 197 I CB -0.144 37.781 38.000 -0.125 0.000 1.072 197 I HN 0.108 nan 8.210 nan 0.000 0.417 198 I N 0.017 120.548 120.570 -0.066 0.000 2.286 198 I HA -0.277 3.894 4.170 0.001 0.000 0.248 198 I C 2.726 178.825 176.117 -0.030 0.000 1.115 198 I CA 1.132 62.410 61.300 -0.036 0.000 1.392 198 I CB -0.452 37.527 38.000 -0.035 0.000 1.065 198 I HN 0.162 nan 8.210 nan 0.000 0.418 199 R N 0.982 121.449 120.500 -0.057 0.000 2.083 199 R HA -0.204 4.137 4.340 0.001 0.000 0.237 199 R C 2.184 178.459 176.300 -0.042 0.000 1.137 199 R CA 1.913 57.983 56.100 -0.050 0.000 0.951 199 R CB -0.234 30.027 30.300 -0.065 0.000 0.851 199 R HN 0.507 nan 8.270 nan 0.000 0.434 200 E N 0.067 120.237 120.200 -0.050 0.000 2.047 200 E HA -0.166 4.184 4.350 0.001 0.000 0.191 200 E C 2.000 178.547 176.600 -0.089 0.000 0.987 200 E CA 0.840 57.199 56.400 -0.067 0.000 0.799 200 E CB 0.005 29.663 29.700 -0.069 0.000 0.752 200 E HN 0.097 nan 8.360 nan 0.000 0.449 201 K N 0.950 121.329 120.400 -0.034 0.000 2.097 201 K HA -0.103 4.218 4.320 0.001 0.000 0.206 201 K C 2.228 178.892 176.600 0.106 0.000 1.049 201 K CA 0.882 57.202 56.287 0.055 0.000 0.933 201 K CB -0.477 32.137 32.500 0.189 0.000 0.717 201 K HN 0.200 nan 8.250 nan 0.000 0.442 202 L N -0.036 121.220 121.223 0.055 0.000 2.046 202 L HA -0.140 4.200 4.340 0.001 0.000 0.208 202 L C 2.542 179.414 176.870 0.004 0.000 1.077 202 L CA 0.929 55.798 54.840 0.049 0.000 0.747 202 L CB -0.312 41.756 42.059 0.014 0.000 0.896 202 L HN 0.099 nan 8.230 nan 0.000 0.432 203 M N -0.549 119.025 119.600 -0.044 0.000 2.254 203 M HA -0.150 4.330 4.480 0.001 0.000 0.265 203 M C 2.241 178.470 176.300 -0.118 0.000 1.066 203 M CA 1.617 56.874 55.300 -0.072 0.000 1.123 203 M CB -0.245 32.312 32.600 -0.072 0.000 1.388 203 M HN -0.061 nan 8.290 nan 0.000 0.425 204 R N -1.503 118.870 120.500 -0.212 0.000 2.075 204 R HA 0.013 4.354 4.340 0.001 0.000 0.226 204 R C 1.392 177.429 176.300 -0.438 0.000 1.114 204 R CA 1.524 57.380 56.100 -0.407 0.000 0.972 204 R CB -0.109 29.774 30.300 -0.694 0.000 0.869 204 R HN 0.334 nan 8.270 nan 0.000 0.437 205 F N -0.435 119.498 119.950 -0.029 0.000 2.437 205 F HA 0.169 4.697 4.527 0.001 0.000 0.288 205 F C 1.733 177.517 175.800 -0.027 0.000 1.085 205 F CA 0.324 58.308 58.000 -0.027 0.000 1.430 205 F CB -0.277 38.706 39.000 -0.029 0.000 1.120 205 F HN -0.097 nan 8.300 nan 0.000 0.556 206 L N -0.196 121.110 121.223 0.138 0.000 2.275 206 L HA 0.000 4.341 4.340 0.001 0.000 0.215 206 L C 1.797 178.684 176.870 0.028 0.000 1.119 206 L CA 1.125 56.004 54.840 0.066 0.000 0.790 206 L CB -1.266 40.813 42.059 0.033 0.000 0.919 206 L HN 0.444 nan 8.230 nan 0.000 0.443 207 G N -0.255 108.548 108.800 0.005 0.000 2.225 207 G HA2 -0.254 3.706 3.960 0.001 0.000 0.267 207 G HA3 -0.254 3.706 3.960 0.001 0.000 0.267 207 G C 0.864 175.746 174.900 -0.031 0.000 1.024 207 G CA 0.428 45.518 45.100 -0.018 0.000 0.784 207 G HN 0.811 nan 8.290 nan 0.000 0.507 208 A N -2.363 120.429 122.820 -0.046 0.000 3.383 208 A HA -0.233 4.088 4.320 0.001 0.000 0.264 208 A C 1.370 178.920 177.584 -0.057 0.000 1.154 208 A CA 2.255 54.249 52.037 -0.072 0.000 1.179 208 A CB -1.699 17.257 19.000 -0.074 0.000 1.133 208 A HN 1.296 nan 8.150 nan 0.000 0.933 209 E N -0.335 119.848 120.200 -0.028 0.000 2.265 209 E HA 0.062 4.413 4.350 0.001 0.000 0.196 209 E C 1.069 177.658 176.600 -0.019 0.000 0.996 209 E CA 0.680 57.072 56.400 -0.014 0.000 0.832 209 E CB -0.220 29.480 29.700 0.000 0.000 0.756 209 E HN 1.068 nan 8.360 nan 0.000 0.491 210 L N 1.145 122.347 121.223 -0.034 0.000 2.613 210 L HA -0.017 4.324 4.340 0.001 0.000 0.304 210 L C -2.109 174.732 176.870 -0.049 0.000 1.266 210 L CA -0.956 53.859 54.840 -0.041 0.000 0.868 210 L CB 0.341 42.364 42.059 -0.061 0.000 1.111 210 L HN -0.064 nan 8.230 nan 0.000 0.515 211 P HA 0.013 nan 4.420 nan 0.000 0.271 211 P C -0.492 176.817 177.300 0.015 0.000 1.226 211 P CA 0.130 63.240 63.100 0.017 0.000 0.765 211 P CB 0.290 32.000 31.700 0.017 0.000 0.835 212 Y N 1.851 122.148 120.300 -0.005 0.000 2.736 212 Y HA -0.095 4.456 4.550 0.001 0.000 0.298 212 Y C 1.255 177.148 175.900 -0.011 0.000 1.156 212 Y CA 1.378 59.474 58.100 -0.006 0.000 1.384 212 Y CB 0.192 38.648 38.460 -0.007 0.000 0.976 212 Y HN 0.217 nan 8.280 nan 0.000 0.556 213 S N 0.202 115.974 115.700 0.120 0.000 2.407 213 S HA 0.388 4.859 4.470 0.001 0.000 0.166 213 S C -1.025 173.589 174.600 0.024 0.000 1.445 213 S CA -0.614 57.629 58.200 0.071 0.000 1.260 213 S CB -0.814 62.422 63.200 0.059 0.000 1.401 213 S HN -0.097 nan 8.310 nan 0.000 0.379 214 V N 2.141 122.060 119.914 0.008 0.000 2.785 214 V HA 0.608 4.729 4.120 0.001 0.000 0.300 214 V C 0.356 176.445 176.094 -0.008 0.000 1.062 214 V CA -0.272 62.025 62.300 -0.005 0.000 1.029 214 V CB 1.761 33.577 31.823 -0.011 0.000 1.024 214 V HN 0.621 nan 8.190 nan 0.000 0.477 215 T N 2.740 117.286 114.554 -0.014 0.000 3.050 215 T HA 0.410 4.761 4.350 0.001 0.000 0.310 215 T C -0.380 174.309 174.700 -0.017 0.000 0.978 215 T CA -0.316 61.775 62.100 -0.016 0.000 1.013 215 T CB 1.378 70.234 68.868 -0.020 0.000 1.000 215 T HN 0.356 nan 8.240 nan 0.000 0.447 216 V N 2.791 122.693 119.914 -0.020 0.000 3.133 216 V HA 0.598 4.719 4.120 0.001 0.000 0.305 216 V C 0.389 176.472 176.094 -0.019 0.000 1.084 216 V CA -0.317 61.970 62.300 -0.021 0.000 1.089 216 V CB 1.406 33.202 31.823 -0.046 0.000 1.073 216 V HN 0.940 nan 8.190 nan 0.000 0.477 217 E N 1.507 121.706 120.200 -0.002 0.000 2.597 217 E HA 0.241 4.592 4.350 0.001 0.000 0.310 217 E C -2.038 174.589 176.600 0.045 0.000 0.970 217 E CA -0.771 55.636 56.400 0.012 0.000 0.819 217 E CB 1.263 30.972 29.700 0.014 0.000 1.267 217 E HN 0.431 nan 8.360 nan 0.000 0.411 218 I N 5.265 125.868 120.570 0.054 0.000 2.278 218 I HA 0.034 4.205 4.170 0.001 0.000 0.296 218 I C 1.492 177.676 176.117 0.111 0.000 1.121 218 I CA 0.221 61.584 61.300 0.105 0.000 1.267 218 I CB 0.475 38.567 38.000 0.152 0.000 1.447 218 I HN 0.616 nan 8.210 nan 0.000 0.509 219 E N 6.373 126.641 120.200 0.113 0.000 2.418 219 E HA -0.080 4.271 4.350 0.001 0.000 0.197 219 E C 0.672 177.340 176.600 0.114 0.000 1.026 219 E CA 0.201 56.661 56.400 0.101 0.000 0.862 219 E CB 0.506 30.263 29.700 0.096 0.000 0.799 219 E HN 0.533 nan 8.360 nan 0.000 0.518 220 R N -0.405 120.182 120.500 0.145 0.000 2.633 220 R HA 0.323 4.664 4.340 0.001 0.000 0.256 220 R C -2.337 174.090 176.300 0.211 0.000 1.131 220 R CA -0.691 55.505 56.100 0.160 0.000 0.994 220 R CB 1.148 31.526 30.300 0.131 0.000 1.261 220 R HN 0.070 nan 8.270 nan 0.000 0.446 221 F N 5.990 125.987 119.950 0.077 0.000 3.164 221 F HA 0.447 4.975 4.527 0.001 0.000 0.375 221 F C -1.447 174.416 175.800 0.105 0.000 1.257 221 F CA -0.199 57.843 58.000 0.071 0.000 1.171 221 F CB 1.329 40.343 39.000 0.023 0.000 1.588 221 F HN 0.447 nan 8.300 nan 0.000 0.604 222 V N 1.015 121.082 119.914 0.255 0.000 3.080 222 V HA 0.886 5.007 4.120 0.001 0.000 0.311 222 V C -0.522 175.754 176.094 0.303 0.000 1.389 222 V CA -0.309 62.177 62.300 0.310 0.000 1.049 222 V CB 1.106 33.047 31.823 0.195 0.000 1.078 222 V HN 0.725 nan 8.190 nan 0.000 0.468 223 S N 0.024 115.846 115.700 0.203 0.000 2.768 223 S HA 0.676 5.147 4.470 0.001 0.000 0.300 223 S C -0.583 174.050 174.600 0.055 0.000 1.122 223 S CA -0.794 57.455 58.200 0.082 0.000 0.995 223 S CB 1.510 64.722 63.200 0.021 0.000 1.195 223 S HN 0.982 nan 8.310 nan 0.000 0.547 224 N N -0.409 118.299 118.700 0.013 0.000 2.701 224 N HA 0.284 5.025 4.740 0.001 0.000 0.290 224 N C -0.031 175.481 175.510 0.004 0.000 1.338 224 N CA -0.740 52.319 53.050 0.015 0.000 0.799 224 N CB 1.196 39.685 38.487 0.003 0.000 1.491 224 N HN 0.700 nan 8.380 nan 0.000 0.540 225 E N 0.343 120.546 120.200 0.004 0.000 2.358 225 E HA -0.014 4.337 4.350 0.001 0.000 0.195 225 E C 0.513 177.108 176.600 -0.008 0.000 1.010 225 E CA 0.786 57.186 56.400 0.000 0.000 0.856 225 E CB 0.322 30.024 29.700 0.003 0.000 0.795 225 E HN 0.279 nan 8.360 nan 0.000 0.504 226 R N -0.400 120.092 120.500 -0.013 0.000 2.397 226 R HA 0.222 4.563 4.340 0.001 0.000 0.241 226 R C 0.771 177.054 176.300 -0.028 0.000 0.914 226 R CA 0.465 56.553 56.100 -0.020 0.000 1.071 226 R CB 0.439 30.725 30.300 -0.023 0.000 1.116 226 R HN 0.099 nan 8.270 nan 0.000 0.524 227 G N 0.083 108.864 108.800 -0.032 0.000 2.733 227 G HA2 0.213 4.173 3.960 0.001 0.000 0.686 227 G HA3 0.213 4.173 3.960 0.001 0.000 0.686 227 G C 0.097 174.957 174.900 -0.066 0.000 1.373 227 G CA -0.082 44.985 45.100 -0.055 0.000 0.838 227 G HN 0.638 nan 8.290 nan 0.000 0.588 228 G N -0.826 107.898 108.800 -0.126 0.000 2.466 228 G HA2 0.405 4.366 3.960 0.001 0.000 0.316 228 G HA3 0.405 4.366 3.960 0.001 0.000 0.316 228 G C -1.088 173.712 174.900 -0.167 0.000 1.270 228 G CA 0.224 45.246 45.100 -0.130 0.000 0.982 228 G HN 1.911 nan 8.290 nan 0.000 0.506 229 Y N 1.363 121.662 120.300 -0.000 0.000 2.447 229 Y HA 0.462 5.013 4.550 0.001 0.000 0.325 229 Y C -0.279 175.569 175.900 -0.086 0.000 0.976 229 Y CA -1.497 56.559 58.100 -0.074 0.000 1.280 229 Y CB 1.615 40.014 38.460 -0.102 0.000 1.104 229 Y HN 0.393 nan 8.280 nan 0.000 0.486 230 D N 4.753 125.229 120.400 0.126 0.000 2.393 230 D HA 0.263 4.904 4.640 0.001 0.000 0.232 230 D C -0.266 176.012 176.300 -0.038 0.000 1.192 230 D CA 0.184 54.250 54.000 0.109 0.000 0.882 230 D CB 0.548 41.435 40.800 0.145 0.000 1.038 230 D HN 0.206 nan 8.370 nan 0.000 0.499 231 I N 1.910 122.413 120.570 -0.111 0.000 2.404 231 I HA 0.301 4.472 4.170 0.001 0.000 0.293 231 I C 0.042 176.129 176.117 -0.050 0.000 0.992 231 I CA -0.806 60.398 61.300 -0.160 0.000 1.149 231 I CB 1.265 39.110 38.000 -0.258 0.000 1.315 231 I HN 0.020 nan 8.210 nan 0.000 0.446 232 N N 3.759 122.490 118.700 0.051 0.000 2.518 232 N HA 0.533 5.274 4.740 0.001 0.000 0.254 232 N C 0.084 175.687 175.510 0.156 0.000 0.979 232 N CA -0.170 52.961 53.050 0.134 0.000 0.930 232 N CB 1.921 40.523 38.487 0.191 0.000 1.152 232 N HN 0.855 nan 8.380 nan 0.000 0.505 233 G N 0.779 109.666 108.800 0.144 0.000 2.420 233 G HA2 0.506 4.467 3.960 0.001 0.000 0.284 233 G HA3 0.506 4.467 3.960 0.001 0.000 0.284 233 G C -0.922 174.107 174.900 0.214 0.000 1.177 233 G CA -0.181 44.997 45.100 0.129 0.000 0.841 233 G HN 0.430 nan 8.290 nan 0.000 0.527 234 L N 2.813 124.129 121.223 0.154 0.000 2.454 234 L HA 0.450 4.791 4.340 0.001 0.000 0.258 234 L C -0.355 176.565 176.870 0.083 0.000 1.025 234 L CA -0.529 54.410 54.840 0.165 0.000 0.901 234 L CB 0.917 43.048 42.059 0.120 0.000 1.210 234 L HN 0.438 nan 8.230 nan 0.000 0.457 235 I N 5.067 125.693 120.570 0.093 0.000 2.363 235 I HA 0.212 4.383 4.170 0.001 0.000 0.292 235 I C -0.543 175.580 176.117 0.010 0.000 1.075 235 I CA -0.155 61.170 61.300 0.042 0.000 1.333 235 I CB 0.548 38.575 38.000 0.046 0.000 1.415 235 I HN 0.390 nan 8.210 nan 0.000 0.502 236 L N 7.996 129.204 121.223 -0.026 0.000 2.307 236 L HA 0.606 4.947 4.340 0.001 0.000 0.284 236 L C 0.086 176.929 176.870 -0.045 0.000 1.023 236 L CA -0.680 54.120 54.840 -0.066 0.000 0.810 236 L CB 1.559 43.563 42.059 -0.091 0.000 1.231 236 L HN 0.419 nan 8.230 nan 0.000 0.423 237 V N -0.808 119.078 119.914 -0.047 0.000 3.158 237 V HA 0.568 4.689 4.120 0.001 0.000 0.315 237 V C 0.504 176.578 176.094 -0.033 0.000 1.148 237 V CA -0.623 61.661 62.300 -0.026 0.000 1.042 237 V CB 1.888 33.706 31.823 -0.009 0.000 1.101 237 V HN 0.749 nan 8.190 nan 0.000 0.448 238 E N 0.826 121.017 120.200 -0.015 0.000 2.012 238 E HA 0.069 4.420 4.350 0.001 0.000 0.192 238 E C 0.711 177.302 176.600 -0.016 0.000 0.977 238 E CA 0.655 57.045 56.400 -0.016 0.000 0.832 238 E CB 0.032 29.732 29.700 -0.001 0.000 0.790 238 E HN 0.680 nan 8.360 nan 0.000 0.466 239 R N 0.815 121.312 120.500 -0.004 0.000 2.574 239 R HA 0.082 4.423 4.340 0.001 0.000 0.266 239 R C 1.542 177.843 176.300 0.003 0.000 1.157 239 R CA -0.231 55.869 56.100 -0.000 0.000 1.187 239 R CB 0.329 30.633 30.300 0.007 0.000 1.179 239 R HN 0.065 nan 8.270 nan 0.000 0.600 240 E N 0.560 120.765 120.200 0.008 0.000 2.033 240 E HA -0.052 4.299 4.350 0.001 0.000 0.189 240 E C 1.931 178.542 176.600 0.019 0.000 0.979 240 E CA 1.734 58.144 56.400 0.016 0.000 0.802 240 E CB -0.594 29.117 29.700 0.018 0.000 0.763 240 E HN 0.748 nan 8.360 nan 0.000 0.449 241 G N 0.236 109.046 108.800 0.017 0.000 2.450 241 G HA2 -0.328 3.633 3.960 0.001 0.000 0.220 241 G HA3 -0.328 3.633 3.960 0.001 0.000 0.220 241 G C 1.466 176.377 174.900 0.017 0.000 1.130 241 G CA 0.945 46.055 45.100 0.017 0.000 0.760 241 G HN 0.310 nan 8.290 nan 0.000 0.557 242 Q N -0.138 119.672 119.800 0.016 0.000 2.050 242 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 242 Q C 2.482 178.493 176.000 0.018 0.000 0.980 242 Q CA 1.564 57.376 55.803 0.015 0.000 0.840 242 Q CB -0.188 28.557 28.738 0.012 0.000 0.898 242 Q HN 0.582 nan 8.270 nan 0.000 0.424 243 K N 0.979 121.392 120.400 0.022 0.000 2.063 243 K HA -0.210 4.110 4.320 0.001 0.000 0.208 243 K C 1.790 178.411 176.600 0.036 0.000 1.048 243 K CA 1.356 57.664 56.287 0.034 0.000 0.928 243 K CB 0.109 32.636 32.500 0.046 0.000 0.713 243 K HN -0.134 nan 8.250 nan 0.000 0.442 244 K N 0.230 120.648 120.400 0.031 0.000 2.209 244 K HA -0.053 4.268 4.320 0.001 0.000 0.204 244 K C 1.871 178.482 176.600 0.018 0.000 1.048 244 K CA 1.301 57.603 56.287 0.025 0.000 0.940 244 K CB -0.087 32.426 32.500 0.022 0.000 0.729 244 K HN 0.164 nan 8.250 nan 0.000 0.451 245 M N -0.843 118.767 119.600 0.017 0.000 2.098 245 M HA -0.097 4.384 4.480 0.001 0.000 0.262 245 M C 1.755 178.063 176.300 0.013 0.000 1.072 245 M CA 1.121 56.429 55.300 0.014 0.000 1.133 245 M CB -0.084 32.524 32.600 0.014 0.000 1.344 245 M HN -0.134 nan 8.290 nan 0.000 0.414 246 V N 0.176 120.100 119.914 0.017 0.000 2.392 246 V HA -0.298 3.823 4.120 0.001 0.000 0.249 246 V C 2.193 178.292 176.094 0.008 0.000 1.059 246 V CA 1.844 64.154 62.300 0.017 0.000 1.051 246 V CB -0.775 31.062 31.823 0.024 0.000 0.658 246 V HN 0.458 nan 8.190 nan 0.000 0.455 247 I N -0.390 120.187 120.570 0.011 0.000 2.286 247 I HA 0.143 4.314 4.170 0.001 0.000 0.245 247 I C 1.408 177.516 176.117 -0.015 0.000 1.104 247 I CA 1.056 62.356 61.300 -0.001 0.000 1.397 247 I CB -0.675 37.333 38.000 0.013 0.000 1.072 247 I HN 0.526 nan 8.210 nan 0.000 0.417 248 G N 1.327 110.123 108.800 -0.007 0.000 2.819 248 G HA2 -0.334 3.627 3.960 0.001 0.000 0.682 248 G HA3 -0.334 3.627 3.960 0.001 0.000 0.682 248 G C -0.178 174.713 174.900 -0.015 0.000 1.481 248 G CA -0.131 44.962 45.100 -0.012 0.000 0.904 248 G HN 0.580 nan 8.290 nan 0.000 0.563 249 N N 0.851 119.543 118.700 -0.014 0.000 2.293 249 N HA 0.147 4.888 4.740 0.001 0.000 0.253 249 N C 1.728 177.224 175.510 -0.023 0.000 1.248 249 N CA 1.362 54.403 53.050 -0.015 0.000 0.845 249 N CB 0.179 38.658 38.487 -0.013 0.000 1.073 249 N HN 1.436 nan 8.380 nan 0.000 0.464 250 K N 1.640 122.028 120.400 -0.020 0.000 3.377 250 K HA -0.305 4.016 4.320 0.001 0.000 0.314 250 K C 0.792 177.371 176.600 -0.034 0.000 1.246 250 K CA 1.829 58.101 56.287 -0.025 0.000 0.961 250 K CB -2.193 30.290 32.500 -0.028 0.000 1.233 250 K HN 1.093 nan 8.250 nan 0.000 0.428 251 G N -0.488 108.290 108.800 -0.037 0.000 2.144 251 G HA2 -0.171 3.790 3.960 0.001 0.000 0.218 251 G HA3 -0.171 3.790 3.960 0.001 0.000 0.218 251 G C 0.962 175.822 174.900 -0.066 0.000 0.988 251 G CA 1.024 46.096 45.100 -0.047 0.000 0.659 251 G HN 1.086 nan 8.290 nan 0.000 0.522 252 A N 0.430 123.211 122.820 -0.065 0.000 1.851 252 A HA 0.022 4.343 4.320 0.001 0.000 0.216 252 A C 2.231 179.744 177.584 -0.119 0.000 1.195 252 A CA 2.689 54.675 52.037 -0.086 0.000 0.622 252 A CB -0.478 18.480 19.000 -0.071 0.000 0.831 252 A HN 0.784 nan 8.150 nan 0.000 0.444 253 K N -0.340 120.001 120.400 -0.098 0.000 2.020 253 K HA -0.165 4.156 4.320 0.001 0.000 0.212 253 K C 1.629 178.150 176.600 -0.131 0.000 1.050 253 K CA 1.933 58.152 56.287 -0.113 0.000 0.929 253 K CB -0.698 31.773 32.500 -0.048 0.000 0.714 253 K HN 0.362 nan 8.250 nan 0.000 0.443 254 I N 0.900 121.415 120.570 -0.091 0.000 2.394 254 I HA -0.178 3.993 4.170 0.001 0.000 0.251 254 I C 2.003 178.044 176.117 -0.127 0.000 1.136 254 I CA 1.474 62.720 61.300 -0.089 0.000 1.425 254 I CB -0.379 37.583 38.000 -0.064 0.000 1.079 254 I HN 0.247 nan 8.210 nan 0.000 0.425 255 K N -0.366 119.951 120.400 -0.138 0.000 2.002 255 K HA -0.160 4.161 4.320 0.001 0.000 0.209 255 K C 2.012 178.501 176.600 -0.186 0.000 1.048 255 K CA 2.237 58.436 56.287 -0.146 0.000 0.930 255 K CB -0.555 31.870 32.500 -0.126 0.000 0.714 255 K HN 0.284 nan 8.250 nan 0.000 0.438 256 T N 1.196 115.592 114.554 -0.264 0.000 2.674 256 T HA -0.091 4.259 4.350 0.001 0.000 0.265 256 T C 1.762 176.187 174.700 -0.457 0.000 1.039 256 T CA 1.711 63.556 62.100 -0.426 0.000 1.150 256 T CB -0.248 68.209 68.868 -0.684 0.000 0.864 256 T HN 0.193 nan 8.240 nan 0.000 0.427 257 I N 1.049 121.390 120.570 -0.383 0.000 2.315 257 I HA -0.168 4.002 4.170 0.001 0.000 0.251 257 I C 2.662 178.746 176.117 -0.055 0.000 1.125 257 I CA 1.301 62.535 61.300 -0.110 0.000 1.392 257 I CB -0.478 37.522 38.000 0.001 0.000 1.065 257 I HN 0.327 nan 8.210 nan 0.000 0.424 258 G N 1.212 109.947 108.800 -0.109 0.000 2.453 258 G HA2 -0.093 3.868 3.960 0.001 0.000 0.215 258 G HA3 -0.093 3.868 3.960 0.001 0.000 0.215 258 G C 1.642 176.489 174.900 -0.089 0.000 1.147 258 G CA 0.530 45.572 45.100 -0.096 0.000 0.802 258 G HN 0.546 nan 8.290 nan 0.000 0.535 259 I N -1.606 118.903 120.570 -0.102 0.000 2.286 259 I HA 0.030 4.201 4.170 0.001 0.000 0.245 259 I C 2.194 178.286 176.117 -0.041 0.000 1.104 259 I CA 1.295 62.549 61.300 -0.076 0.000 1.397 259 I CB -0.153 37.796 38.000 -0.086 0.000 1.072 259 I HN -0.101 nan 8.210 nan 0.000 0.417 260 E N 2.053 122.244 120.200 -0.015 0.000 2.072 260 E HA -0.112 4.239 4.350 0.001 0.000 0.191 260 E C 2.455 179.077 176.600 0.036 0.000 0.985 260 E CA 1.553 57.994 56.400 0.068 0.000 0.801 260 E CB -0.469 29.391 29.700 0.267 0.000 0.750 260 E HN 0.663 nan 8.360 nan 0.000 0.452 261 A N 1.791 124.623 122.820 0.019 0.000 1.877 261 A HA -0.184 4.137 4.320 0.001 0.000 0.216 261 A C 2.253 179.791 177.584 -0.077 0.000 1.186 261 A CA 1.668 53.689 52.037 -0.028 0.000 0.620 261 A CB -0.518 18.465 19.000 -0.029 0.000 0.822 261 A HN 0.135 nan 8.150 nan 0.000 0.443 262 R N -0.213 120.244 120.500 -0.072 0.000 2.096 262 R HA -0.162 4.179 4.340 0.001 0.000 0.235 262 R C 2.097 178.353 176.300 -0.074 0.000 1.127 262 R CA 1.883 57.934 56.100 -0.082 0.000 0.968 262 R CB -0.244 30.016 30.300 -0.067 0.000 0.861 262 R HN 0.519 nan 8.270 nan 0.000 0.440 263 K N 0.364 120.733 120.400 -0.051 0.000 1.978 263 K HA -0.154 4.167 4.320 0.001 0.000 0.214 263 K C 1.696 178.258 176.600 -0.062 0.000 1.049 263 K CA 2.207 58.471 56.287 -0.038 0.000 0.939 263 K CB -0.122 32.370 32.500 -0.015 0.000 0.721 263 K HN 0.158 nan 8.250 nan 0.000 0.441 264 D N 0.230 120.583 120.400 -0.078 0.000 2.182 264 D HA -0.184 4.456 4.640 0.001 0.000 0.201 264 D C 1.762 177.925 176.300 -0.229 0.000 0.986 264 D CA 1.328 55.260 54.000 -0.113 0.000 0.847 264 D CB -0.094 40.643 40.800 -0.105 0.000 0.942 264 D HN 0.295 nan 8.370 nan 0.000 0.467 265 M N -0.279 119.138 119.600 -0.303 0.000 2.296 265 M HA -0.131 4.350 4.480 0.001 0.000 0.265 265 M C 2.044 178.156 176.300 -0.313 0.000 1.064 265 M CA 0.937 55.886 55.300 -0.586 0.000 1.109 265 M CB -0.028 32.304 32.600 -0.447 0.000 1.396 265 M HN -0.106 nan 8.290 nan 0.000 0.430 266 Q N 1.025 120.759 119.800 -0.110 0.000 2.049 266 Q HA -0.170 4.171 4.340 0.001 0.000 0.198 266 Q C 1.837 177.870 176.000 0.055 0.000 0.971 266 Q CA 2.021 57.835 55.803 0.018 0.000 0.833 266 Q CB 0.034 28.779 28.738 0.012 0.000 0.896 266 Q HN 0.708 nan 8.270 nan 0.000 0.434 267 E N -0.684 119.521 120.200 0.009 0.000 2.042 267 E HA -0.167 4.183 4.350 0.001 0.000 0.189 267 E C 1.917 178.555 176.600 0.062 0.000 0.974 267 E CA 1.082 57.504 56.400 0.036 0.000 0.806 267 E CB -0.584 29.124 29.700 0.012 0.000 0.769 267 E HN 0.354 nan 8.360 nan 0.000 0.451 268 M N 0.374 119.975 119.600 0.001 0.000 2.435 268 M HA 0.077 4.557 4.480 0.001 0.000 0.262 268 M C -0.551 175.931 176.300 0.302 0.000 1.065 268 M CA 1.029 56.360 55.300 0.052 0.000 1.076 268 M CB 0.055 32.617 32.600 -0.064 0.000 1.403 268 M HN -0.024 nan 8.290 nan 0.000 0.454 269 F N 0.162 120.160 119.950 0.080 0.000 2.541 269 F HA 0.430 4.958 4.527 0.001 0.000 0.331 269 F C 1.279 177.155 175.800 0.127 0.000 1.057 269 F CA -1.439 56.633 58.000 0.120 0.000 0.975 269 F CB 1.058 40.147 39.000 0.147 0.000 1.246 269 F HN -0.065 nan 8.300 nan 0.000 0.484 270 E N 0.672 121.079 120.200 0.344 0.000 2.158 270 E HA 0.193 4.544 4.350 0.001 0.000 0.191 270 E C 0.408 177.125 176.600 0.195 0.000 0.982 270 E CA 0.753 57.282 56.400 0.215 0.000 0.823 270 E CB 0.220 30.011 29.700 0.150 0.000 0.766 270 E HN 0.547 nan 8.360 nan 0.000 0.468 271 A N 0.942 123.915 122.820 0.256 0.000 2.312 271 A HA 0.546 4.867 4.320 0.001 0.000 0.310 271 A C -2.444 175.274 177.584 0.223 0.000 1.139 271 A CA -1.612 50.532 52.037 0.179 0.000 0.886 271 A CB 0.284 19.331 19.000 0.079 0.000 1.350 271 A HN -0.113 nan 8.150 nan 0.000 0.479 272 P HA 0.348 nan 4.420 nan 0.000 0.271 272 P C -0.677 176.733 177.300 0.183 0.000 1.218 272 P CA 0.165 63.342 63.100 0.129 0.000 0.780 272 P CB 0.937 32.680 31.700 0.072 0.000 0.901 273 V N -0.388 119.609 119.914 0.138 0.000 2.709 273 V HA 0.446 4.567 4.120 0.001 0.000 0.308 273 V C -0.586 175.565 176.094 0.094 0.000 1.062 273 V CA -0.954 61.420 62.300 0.123 0.000 0.901 273 V CB 1.459 33.307 31.823 0.042 0.000 1.003 273 V HN 0.623 nan 8.190 nan 0.000 0.425 274 H N 5.055 124.128 119.070 0.005 0.000 2.821 274 H HA 0.600 5.156 4.556 0.001 0.000 0.262 274 H C -0.737 174.574 175.328 -0.029 0.000 1.402 274 H CA -0.661 55.380 56.048 -0.011 0.000 1.293 274 H CB 0.895 30.657 29.762 -0.000 0.000 1.533 274 H HN 0.830 nan 8.280 nan 0.000 0.528 275 L N 4.097 125.155 121.223 -0.276 0.000 2.315 275 L HA 0.263 4.604 4.340 0.001 0.000 0.283 275 L C -0.112 176.526 176.870 -0.386 0.000 1.089 275 L CA 0.114 54.785 54.840 -0.282 0.000 0.833 275 L CB 0.600 42.561 42.059 -0.164 0.000 1.170 275 L HN 0.729 nan 8.230 nan 0.000 0.442 276 E N 4.727 124.715 120.200 -0.355 0.000 2.101 276 E HA 0.295 4.646 4.350 0.001 0.000 0.260 276 E C -1.442 175.040 176.600 -0.197 0.000 0.897 276 E CA -0.780 55.427 56.400 -0.322 0.000 0.744 276 E CB 0.786 30.372 29.700 -0.190 0.000 1.140 276 E HN 0.488 nan 8.360 nan 0.000 0.419 277 L N 5.321 126.380 121.223 -0.274 0.000 2.264 277 L HA 0.390 4.731 4.340 0.001 0.000 0.289 277 L C -1.335 175.420 176.870 -0.192 0.000 1.044 277 L CA -0.065 54.692 54.840 -0.139 0.000 0.807 277 L CB 0.389 42.379 42.059 -0.115 0.000 1.192 277 L HN 0.526 nan 8.230 nan 0.000 0.425 278 W N 4.582 125.924 121.300 0.070 0.000 2.424 278 W HA 0.589 5.250 4.660 0.001 0.000 0.318 278 W C -0.498 176.130 176.519 0.182 0.000 1.016 278 W CA -0.819 56.621 57.345 0.159 0.000 1.268 278 W CB 1.484 31.107 29.460 0.271 0.000 1.297 278 W HN 0.140 nan 8.180 nan 0.000 0.428 279 V N 4.013 124.151 119.914 0.374 0.000 2.649 279 V HA 0.439 4.560 4.120 0.001 0.000 0.292 279 V C 0.188 176.443 176.094 0.268 0.000 1.055 279 V CA -0.728 61.714 62.300 0.237 0.000 1.023 279 V CB 1.180 33.091 31.823 0.147 0.000 0.992 279 V HN 0.503 nan 8.190 nan 0.000 0.480 280 K N 2.612 123.030 120.400 0.030 0.000 2.562 280 K HA 0.567 4.888 4.320 0.001 0.000 0.267 280 K C -1.944 174.534 176.600 -0.204 0.000 0.938 280 K CA -0.658 55.496 56.287 -0.222 0.000 0.840 280 K CB 2.494 34.476 32.500 -0.864 0.000 1.390 280 K HN 0.390 nan 8.250 nan 0.000 0.428 281 V N 5.064 124.862 119.914 -0.193 0.000 2.498 281 V HA 0.135 4.256 4.120 0.001 0.000 0.279 281 V C 1.023 176.992 176.094 -0.209 0.000 1.048 281 V CA -0.257 61.960 62.300 -0.140 0.000 0.967 281 V CB 1.407 33.188 31.823 -0.070 0.000 0.988 281 V HN 0.827 nan 8.190 nan 0.000 0.473 282 K N 2.369 122.673 120.400 -0.160 0.000 2.211 282 K HA -0.141 4.180 4.320 0.001 0.000 0.204 282 K C 1.822 178.334 176.600 -0.147 0.000 1.047 282 K CA 1.560 57.749 56.287 -0.162 0.000 0.935 282 K CB -0.237 32.199 32.500 -0.106 0.000 0.728 282 K HN 0.769 nan 8.250 nan 0.000 0.452 283 S N 0.312 115.946 115.700 -0.110 0.000 2.723 283 S HA 0.113 4.584 4.470 0.001 0.000 0.231 283 S C 0.707 175.256 174.600 -0.085 0.000 0.967 283 S CA 0.094 58.246 58.200 -0.080 0.000 0.958 283 S CB -0.533 62.636 63.200 -0.050 0.000 0.778 283 S HN 0.487 nan 8.310 nan 0.000 0.537 284 G N -0.382 108.328 108.800 -0.150 0.000 2.674 284 G HA2 -0.092 3.868 3.960 0.001 0.000 0.686 284 G HA3 -0.092 3.868 3.960 0.001 0.000 0.686 284 G C -0.468 174.367 174.900 -0.108 0.000 1.195 284 G CA -0.778 44.238 45.100 -0.140 0.000 0.776 284 G HN 0.371 nan 8.290 nan 0.000 0.654 285 W N 0.527 121.813 121.300 -0.023 0.000 1.918 285 W HA 0.457 5.117 4.660 0.001 0.000 0.355 285 W C 1.095 177.609 176.519 -0.009 0.000 1.368 285 W CA 0.680 58.013 57.345 -0.020 0.000 1.412 285 W CB 0.416 29.850 29.460 -0.044 0.000 1.309 285 W HN 1.042 nan 8.180 nan 0.000 0.667 286 A N -0.183 122.856 122.820 0.365 0.000 2.373 286 A HA 0.272 4.593 4.320 0.001 0.000 0.291 286 A C 0.780 178.439 177.584 0.124 0.000 1.171 286 A CA -0.352 51.797 52.037 0.186 0.000 0.922 286 A CB 0.426 19.520 19.000 0.156 0.000 1.400 286 A HN 0.667 nan 8.150 nan 0.000 0.474 287 D N -0.125 120.319 120.400 0.073 0.000 2.103 287 D HA -0.127 4.514 4.640 0.001 0.000 0.199 287 D C 0.617 176.926 176.300 0.014 0.000 0.978 287 D CA 1.600 55.622 54.000 0.036 0.000 0.829 287 D CB -0.178 40.639 40.800 0.029 0.000 0.981 287 D HN 0.536 nan 8.370 nan 0.000 0.464 288 D N 1.575 121.992 120.400 0.028 0.000 2.084 288 D HA -0.136 4.505 4.640 0.001 0.000 0.194 288 D C 1.999 178.297 176.300 -0.003 0.000 0.990 288 D CA 0.873 54.884 54.000 0.018 0.000 0.826 288 D CB -0.521 40.302 40.800 0.037 0.000 0.971 288 D HN 0.383 nan 8.370 nan 0.000 0.453 289 E N 0.420 120.630 120.200 0.016 0.000 2.058 289 E HA -0.201 4.149 4.350 0.001 0.000 0.194 289 E C 2.211 178.624 176.600 -0.311 0.000 0.997 289 E CA 0.911 57.271 56.400 -0.066 0.000 0.801 289 E CB -0.087 29.688 29.700 0.125 0.000 0.746 289 E HN 0.045 nan 8.360 nan 0.000 0.450 290 R N 0.509 120.871 120.500 -0.230 0.000 2.159 290 R HA -0.122 4.219 4.340 0.001 0.000 0.237 290 R C 2.056 178.221 176.300 -0.224 0.000 1.131 290 R CA 1.273 57.194 56.100 -0.298 0.000 0.982 290 R CB -0.207 30.026 30.300 -0.113 0.000 0.868 290 R HN 0.199 nan 8.270 nan 0.000 0.453 291 A N -0.083 122.660 122.820 -0.129 0.000 1.897 291 A HA -0.044 4.277 4.320 0.001 0.000 0.215 291 A C 2.043 179.583 177.584 -0.072 0.000 1.181 291 A CA 0.894 52.884 52.037 -0.079 0.000 0.620 291 A CB -0.354 18.625 19.000 -0.036 0.000 0.821 291 A HN 0.306 nan 8.150 nan 0.000 0.443 292 L N -1.179 120.007 121.223 -0.061 0.000 2.156 292 L HA -0.093 4.247 4.340 0.001 0.000 0.208 292 L C 2.873 179.761 176.870 0.031 0.000 1.095 292 L CA 0.792 55.655 54.840 0.038 0.000 0.770 292 L CB -0.341 41.802 42.059 0.140 0.000 0.914 292 L HN 0.343 nan 8.230 nan 0.000 0.439 293 R N -0.065 120.259 120.500 -0.292 0.000 2.062 293 R HA -0.059 4.282 4.340 0.001 0.000 0.226 293 R C 2.085 178.193 176.300 -0.320 0.000 1.125 293 R CA 1.409 57.147 56.100 -0.604 0.000 0.966 293 R CB -0.379 29.329 30.300 -0.987 0.000 0.861 293 R HN 0.367 nan 8.270 nan 0.000 0.433 294 S N 1.276 116.830 115.700 -0.242 0.000 2.988 294 S HA 0.049 4.519 4.470 0.001 0.000 0.237 294 S C 0.739 175.294 174.600 -0.075 0.000 0.989 294 S CA 0.026 58.140 58.200 -0.144 0.000 1.054 294 S CB -1.110 62.022 63.200 -0.114 0.000 0.818 294 S HN 0.334 nan 8.310 nan 0.000 0.526 295 L N -3.695 117.500 121.223 -0.048 0.000 2.933 295 L HA 0.901 5.242 4.340 0.001 0.000 0.271 295 L C -0.557 176.349 176.870 0.059 0.000 1.071 295 L CA -0.715 54.128 54.840 0.005 0.000 0.938 295 L CB 0.958 43.022 42.059 0.008 0.000 1.534 295 L HN 0.139 nan 8.230 nan 0.000 0.396 296 G N 0.000 108.841 108.800 0.069 0.000 5.446 296 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 296 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 296 G CA 0.000 45.169 45.100 0.114 0.000 0.502 296 G HN 0.000 nan 8.290 nan 0.000 0.925