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 3pq8_1_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.565 174.600 -0.058 0.000 1.055 28 S CA 0.000 58.173 58.200 -0.044 0.000 1.107 28 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 29 L N 1.123 122.303 121.223 -0.072 0.000 2.477 29 L HA 0.350 4.704 4.340 0.024 0.000 0.220 29 L C 1.390 178.181 176.870 -0.131 0.000 1.106 29 L CA 0.288 55.080 54.840 -0.080 0.000 0.851 29 L CB -0.259 41.763 42.059 -0.061 0.000 0.994 29 L HN 0.721 nan 8.230 nan 0.000 0.462 30 A N 1.568 124.259 122.820 -0.215 0.000 2.425 30 A HA 0.361 4.695 4.320 0.024 0.000 0.242 30 A C -1.986 175.440 177.584 -0.264 0.000 1.077 30 A CA -0.922 50.860 52.037 -0.426 0.000 0.781 30 A CB -0.582 17.898 19.000 -0.867 0.000 1.020 30 A HN -0.007 nan 8.150 nan 0.000 0.494 31 P HA 0.098 nan 4.420 nan 0.000 0.268 31 P C 0.094 177.375 177.300 -0.032 0.000 1.205 31 P CA 0.064 63.126 63.100 -0.063 0.000 0.771 31 P CB 0.767 32.471 31.700 0.006 0.000 0.858 32 E N 1.054 121.246 120.200 -0.013 0.000 2.204 32 E HA -0.212 4.153 4.350 0.024 0.000 0.195 32 E C 1.174 177.794 176.600 0.034 0.000 0.990 32 E CA 1.473 57.876 56.400 0.005 0.000 0.821 32 E CB -0.110 29.590 29.700 0.001 0.000 0.750 32 E HN 0.577 nan 8.360 nan 0.000 0.477 33 D N -1.094 119.332 120.400 0.042 0.000 2.378 33 D HA -0.025 4.629 4.640 0.024 0.000 0.227 33 D C 1.225 177.574 176.300 0.082 0.000 1.012 33 D CA 0.828 54.859 54.000 0.050 0.000 0.905 33 D CB -0.268 40.555 40.800 0.037 0.000 0.895 33 D HN 0.186 nan 8.370 nan 0.000 0.532 34 G N 0.346 109.237 108.800 0.152 0.000 2.168 34 G HA2 -0.359 3.615 3.960 0.024 0.000 0.257 34 G HA3 -0.359 3.615 3.960 0.024 0.000 0.257 34 G C 0.989 175.979 174.900 0.151 0.000 0.997 34 G CA 0.932 46.167 45.100 0.226 0.000 0.708 34 G HN 0.735 nan 8.290 nan 0.000 0.520 35 S N 0.329 116.131 115.700 0.171 0.000 2.607 35 S HA 0.002 4.486 4.470 0.024 0.000 0.224 35 S C 1.876 176.536 174.600 0.100 0.000 0.969 35 S CA 1.017 59.269 58.200 0.087 0.000 0.927 35 S CB -0.475 62.765 63.200 0.066 0.000 0.772 35 S HN 0.916 nan 8.310 nan 0.000 0.533 36 H N 0.621 119.697 119.070 0.011 0.000 2.502 36 H HA 0.279 4.849 4.556 0.024 0.000 0.283 36 H C 0.793 176.132 175.328 0.018 0.000 1.015 36 H CA 0.245 56.300 56.048 0.012 0.000 1.298 36 H CB -0.294 29.474 29.762 0.010 0.000 1.411 36 H HN 0.292 nan 8.280 nan 0.000 0.556 37 R N 2.784 122.986 120.500 -0.497 0.000 2.255 37 R HA 0.347 4.701 4.340 0.024 0.000 0.326 37 R C -2.605 173.607 176.300 -0.146 0.000 0.986 37 R CA -2.421 53.460 56.100 -0.365 0.000 0.847 37 R CB 0.668 30.641 30.300 -0.545 0.000 1.111 37 R HN 0.110 nan 8.270 nan 0.000 0.452 38 P HA 0.165 nan 4.420 nan 0.000 0.275 38 P C -0.939 176.353 177.300 -0.013 0.000 1.227 38 P CA -0.387 62.703 63.100 -0.016 0.000 0.781 38 P CB 1.017 32.733 31.700 0.026 0.000 0.906 39 A N 3.004 125.823 122.820 -0.003 0.000 2.540 39 A HA 0.324 4.659 4.320 0.024 0.000 0.239 39 A C 1.050 178.645 177.584 0.019 0.000 1.061 39 A CA 0.217 52.256 52.037 0.004 0.000 0.758 39 A CB -0.415 18.590 19.000 0.008 0.000 0.991 39 A HN 0.582 nan 8.150 nan 0.000 0.502 40 A N 3.103 125.934 122.820 0.017 0.000 3.074 40 A HA 0.467 4.801 4.320 0.024 0.000 0.251 40 A C 0.451 178.055 177.584 0.033 0.000 1.695 40 A CA 0.213 52.267 52.037 0.028 0.000 1.343 40 A CB -0.874 18.139 19.000 0.022 0.000 1.078 40 A HN 0.882 nan 8.150 nan 0.000 0.644 41 E N -0.767 119.455 120.200 0.036 0.000 2.433 41 E HA 0.576 4.940 4.350 0.024 0.000 0.278 41 E C -3.265 173.361 176.600 0.042 0.000 0.976 41 E CA -2.653 53.769 56.400 0.038 0.000 0.793 41 E CB 0.949 30.666 29.700 0.028 0.000 1.311 41 E HN 0.045 nan 8.360 nan 0.000 0.460 42 P HA 0.103 nan 4.420 nan 0.000 0.268 42 P C -0.756 176.558 177.300 0.022 0.000 1.204 42 P CA 0.146 63.266 63.100 0.032 0.000 0.768 42 P CB 0.655 32.359 31.700 0.008 0.000 0.842 43 T N 0.059 114.624 114.554 0.019 0.000 2.916 43 T HA 0.600 4.965 4.350 0.024 0.000 0.305 43 T C -3.018 171.669 174.700 -0.021 0.000 1.119 43 T CA -2.495 59.611 62.100 0.011 0.000 1.008 43 T CB 1.683 70.561 68.868 0.017 0.000 1.129 43 T HN 0.103 nan 8.240 nan 0.000 0.480 44 P HA 0.345 nan 4.420 nan 0.000 0.272 44 P C -2.738 174.441 177.300 -0.201 0.000 1.230 44 P CA -1.446 61.548 63.100 -0.177 0.000 0.788 44 P CB -0.900 30.784 31.700 -0.027 0.000 0.949 45 P HA 0.010 nan 4.420 nan 0.000 0.264 45 P C 1.147 178.400 177.300 -0.078 0.000 1.183 45 P CA 1.548 64.546 63.100 -0.169 0.000 0.763 45 P CB -0.240 31.340 31.700 -0.200 0.000 0.807 46 G N 2.558 111.343 108.800 -0.025 0.000 2.304 46 G HA2 -0.378 3.597 3.960 0.024 0.000 0.252 46 G HA3 -0.378 3.597 3.960 0.024 0.000 0.252 46 G C 1.238 176.138 174.900 -0.000 0.000 1.014 46 G CA 0.510 45.608 45.100 -0.004 0.000 0.619 46 G HN 0.683 nan 8.290 nan 0.000 0.525 47 A N -0.836 121.980 122.820 -0.006 0.000 1.969 47 A HA 0.363 4.697 4.320 0.024 0.000 0.218 47 A C 1.313 178.903 177.584 0.009 0.000 1.169 47 A CA 2.195 54.234 52.037 0.003 0.000 0.635 47 A CB -0.041 18.960 19.000 0.002 0.000 0.810 47 A HN 0.610 nan 8.150 nan 0.000 0.445 48 Q N -1.266 118.543 119.800 0.015 0.000 2.462 48 Q HA 0.411 4.765 4.340 0.024 0.000 0.285 48 Q C -3.030 172.986 176.000 0.027 0.000 1.035 48 Q CA -1.977 53.838 55.803 0.020 0.000 0.799 48 Q CB 1.013 29.766 28.738 0.025 0.000 1.452 48 Q HN 0.056 nan 8.270 nan 0.000 0.404 49 P HA 0.042 nan 4.420 nan 0.000 0.269 49 P C -0.257 177.073 177.300 0.050 0.000 1.209 49 P CA 0.047 63.162 63.100 0.024 0.000 0.776 49 P CB 0.277 31.988 31.700 0.019 0.000 0.876 50 T N -0.663 113.918 114.554 0.045 0.000 2.860 50 T HA 0.614 4.978 4.350 0.024 0.000 0.299 50 T C -0.022 174.752 174.700 0.123 0.000 1.045 50 T CA -0.529 61.642 62.100 0.118 0.000 1.071 50 T CB 0.701 69.578 68.868 0.015 0.000 0.985 50 T HN 0.561 nan 8.240 nan 0.000 0.537 51 A N 1.845 124.836 122.820 0.286 0.000 2.594 51 A HA 0.799 5.133 4.320 0.024 0.000 0.291 51 A C -2.987 174.859 177.584 0.437 0.000 1.105 51 A CA -2.103 50.084 52.037 0.251 0.000 0.694 51 A CB 0.663 19.767 19.000 0.174 0.000 1.291 51 A HN 0.672 nan 8.150 nan 0.000 0.410 52 P HA 0.104 nan 4.420 nan 0.000 0.265 52 P C 1.199 178.662 177.300 0.272 0.000 1.187 52 P CA 0.897 64.222 63.100 0.375 0.000 0.766 52 P CB 0.483 32.320 31.700 0.228 0.000 0.820 53 G N 2.015 110.935 108.800 0.200 0.000 2.442 53 G HA2 -0.282 3.693 3.960 0.024 0.000 0.219 53 G HA3 -0.282 3.693 3.960 0.024 0.000 0.219 53 G C 1.523 176.446 174.900 0.038 0.000 1.141 53 G CA 1.084 46.212 45.100 0.048 0.000 0.763 53 G HN 0.599 nan 8.290 nan 0.000 0.554 54 S N -0.042 115.683 115.700 0.041 0.000 2.481 54 S HA 0.154 4.638 4.470 0.024 0.000 0.231 54 S C 2.195 176.816 174.600 0.036 0.000 0.996 54 S CA 0.671 58.880 58.200 0.014 0.000 0.942 54 S CB -0.148 63.054 63.200 0.003 0.000 0.768 54 S HN 0.311 nan 8.310 nan 0.000 0.520 55 L N -0.010 121.252 121.223 0.065 0.000 2.298 55 L HA 0.268 4.623 4.340 0.024 0.000 0.209 55 L C 2.647 179.554 176.870 0.062 0.000 1.084 55 L CA 0.835 55.713 54.840 0.062 0.000 0.816 55 L CB -0.307 41.798 42.059 0.075 0.000 0.967 55 L HN 0.252 nan 8.230 nan 0.000 0.460 56 K N 1.407 121.857 120.400 0.083 0.000 2.116 56 K HA 0.039 4.374 4.320 0.024 0.000 0.203 56 K C 0.752 177.387 176.600 0.059 0.000 1.052 56 K CA 1.299 57.636 56.287 0.082 0.000 0.952 56 K CB 0.155 32.727 32.500 0.119 0.000 0.729 56 K HN 0.138 nan 8.250 nan 0.000 0.446 57 A N 0.749 123.596 122.820 0.044 0.000 3.355 57 A HA 0.346 4.680 4.320 0.024 0.000 0.290 57 A C -2.176 175.416 177.584 0.013 0.000 0.973 57 A CA -0.986 51.072 52.037 0.036 0.000 0.933 57 A CB 0.561 19.586 19.000 0.042 0.000 1.138 57 A HN 0.157 nan 8.150 nan 0.000 0.490 58 P HA -0.141 nan 4.420 nan 0.000 0.219 58 P C 0.138 177.432 177.300 -0.010 0.000 1.146 58 P CA 1.251 64.351 63.100 0.001 0.000 0.808 58 P CB 0.287 31.991 31.700 0.008 0.000 0.779 59 D N -1.001 119.398 120.400 -0.001 0.000 2.339 59 D HA 0.021 4.676 4.640 0.024 0.000 0.217 59 D C 0.259 176.548 176.300 -0.018 0.000 1.050 59 D CA 0.536 54.531 54.000 -0.007 0.000 0.856 59 D CB -0.370 40.432 40.800 0.004 0.000 0.922 59 D HN 0.114 nan 8.370 nan 0.000 0.518 60 T N 2.668 117.209 114.554 -0.022 0.000 2.729 60 T HA 0.300 4.664 4.350 0.024 0.000 0.296 60 T C 0.353 175.009 174.700 -0.072 0.000 0.928 60 T CA -0.435 61.638 62.100 -0.045 0.000 1.045 60 T CB 0.953 69.793 68.868 -0.048 0.000 0.902 60 T HN -0.164 nan 8.240 nan 0.000 0.500 61 R N 3.148 123.598 120.500 -0.082 0.000 2.795 61 R HA 0.641 4.995 4.340 0.024 0.000 0.275 61 R C -0.446 175.796 176.300 -0.096 0.000 0.981 61 R CA -1.069 54.977 56.100 -0.090 0.000 0.917 61 R CB 1.683 31.938 30.300 -0.076 0.000 1.202 61 R HN 0.821 nan 8.270 nan 0.000 0.469 62 N N -2.246 116.400 118.700 -0.090 0.000 2.853 62 N HA 0.096 4.850 4.740 0.024 0.000 0.258 62 N C 0.308 175.776 175.510 -0.071 0.000 1.444 62 N CA -0.822 52.188 53.050 -0.065 0.000 0.837 62 N CB 0.878 39.359 38.487 -0.010 0.000 1.489 62 N HN 0.546 nan 8.380 nan 0.000 0.529 63 E N -0.233 119.939 120.200 -0.047 0.000 2.085 63 E HA -0.301 4.063 4.350 0.024 0.000 0.194 63 E C 1.072 177.604 176.600 -0.115 0.000 0.994 63 E CA 1.552 57.919 56.400 -0.055 0.000 0.801 63 E CB 0.072 29.764 29.700 -0.013 0.000 0.743 63 E HN 0.510 nan 8.360 nan 0.000 0.453 64 K N 0.758 121.054 120.400 -0.172 0.000 2.025 64 K HA -0.095 4.239 4.320 0.024 0.000 0.207 64 K C 2.142 178.582 176.600 -0.267 0.000 1.049 64 K CA 1.209 57.296 56.287 -0.333 0.000 0.933 64 K CB -0.511 31.606 32.500 -0.639 0.000 0.714 64 K HN 0.176 nan 8.250 nan 0.000 0.438 65 L N 0.929 122.010 121.223 -0.236 0.000 2.043 65 L HA -0.253 4.101 4.340 0.024 0.000 0.212 65 L C 1.953 178.711 176.870 -0.187 0.000 1.075 65 L CA 1.497 56.172 54.840 -0.275 0.000 0.752 65 L CB -0.660 41.234 42.059 -0.275 0.000 0.891 65 L HN 0.290 nan 8.230 nan 0.000 0.432 66 N N -0.351 118.265 118.700 -0.140 0.000 2.166 66 N HA -0.158 4.597 4.740 0.024 0.000 0.186 66 N C 2.026 177.478 175.510 -0.097 0.000 1.019 66 N CA 1.670 54.659 53.050 -0.102 0.000 0.856 66 N CB -0.405 38.035 38.487 -0.078 0.000 0.993 66 N HN 0.380 nan 8.380 nan 0.000 0.426 67 S N 0.092 115.723 115.700 -0.116 0.000 2.515 67 S HA 0.065 4.550 4.470 0.024 0.000 0.231 67 S C 1.719 176.256 174.600 -0.105 0.000 0.987 67 S CA 0.257 58.396 58.200 -0.102 0.000 0.936 67 S CB -0.377 62.756 63.200 -0.111 0.000 0.766 67 S HN 0.235 nan 8.310 nan 0.000 0.528 68 L N 0.699 121.845 121.223 -0.127 0.000 2.554 68 L HA 0.223 4.578 4.340 0.024 0.000 0.226 68 L C 2.582 179.404 176.870 -0.079 0.000 1.137 68 L CA 0.469 55.242 54.840 -0.111 0.000 0.863 68 L CB -0.349 41.626 42.059 -0.140 0.000 0.985 68 L HN 0.263 nan 8.230 nan 0.000 0.451 69 E N 1.144 121.301 120.200 -0.072 0.000 2.153 69 E HA -0.256 4.109 4.350 0.024 0.000 0.194 69 E C 1.726 178.305 176.600 -0.034 0.000 0.988 69 E CA 1.481 57.852 56.400 -0.048 0.000 0.811 69 E CB -0.083 29.592 29.700 -0.043 0.000 0.746 69 E HN 0.556 nan 8.360 nan 0.000 0.466 70 D N -0.387 119.991 120.400 -0.037 0.000 2.265 70 D HA -0.149 4.505 4.640 0.024 0.000 0.208 70 D C 1.561 177.847 176.300 -0.023 0.000 0.977 70 D CA 1.629 55.613 54.000 -0.027 0.000 0.871 70 D CB -0.210 40.574 40.800 -0.027 0.000 0.925 70 D HN 0.309 nan 8.370 nan 0.000 0.485 71 V N -3.728 116.171 119.914 -0.026 0.000 3.556 71 V HA 0.335 4.469 4.120 0.024 0.000 0.287 71 V C 0.870 176.957 176.094 -0.012 0.000 1.422 71 V CA -0.706 61.583 62.300 -0.017 0.000 1.038 71 V CB -0.407 31.405 31.823 -0.018 0.000 0.850 71 V HN -0.168 nan 8.190 nan 0.000 0.437 72 R N 2.060 122.552 120.500 -0.015 0.000 2.537 72 R HA 0.400 4.755 4.340 0.024 0.000 0.280 72 R C -0.184 176.117 176.300 0.001 0.000 1.058 72 R CA 0.207 56.306 56.100 -0.001 0.000 1.057 72 R CB 0.593 30.892 30.300 -0.002 0.000 0.973 72 R HN 0.377 nan 8.270 nan 0.000 0.438 73 K N 1.269 121.675 120.400 0.009 0.000 2.463 73 K HA 0.310 4.645 4.320 0.024 0.000 0.255 73 K C -0.082 176.533 176.600 0.025 0.000 0.942 73 K CA -0.436 55.845 56.287 -0.011 0.000 0.814 73 K CB 1.773 34.256 32.500 -0.029 0.000 1.122 73 K HN 0.729 nan 8.250 nan 0.000 0.425 74 G N 0.620 109.455 108.800 0.058 0.000 2.546 74 G HA2 0.223 4.198 3.960 0.024 0.000 0.239 74 G HA3 0.223 4.198 3.960 0.024 0.000 0.239 74 G C 0.354 175.358 174.900 0.174 0.000 1.476 74 G CA 0.319 45.504 45.100 0.141 0.000 1.064 74 G HN 0.711 nan 8.290 nan 0.000 0.561 75 S N -2.615 113.264 115.700 0.298 0.000 2.501 75 S HA 0.125 4.609 4.470 0.024 0.000 0.250 75 S C 0.220 174.984 174.600 0.274 0.000 0.959 75 S CA -0.169 58.203 58.200 0.286 0.000 1.250 75 S CB 0.128 63.413 63.200 0.142 0.000 0.933 75 S HN 0.492 nan 8.310 nan 0.000 0.420 76 E N 2.904 123.187 120.200 0.138 0.000 2.392 76 E HA 0.375 4.740 4.350 0.024 0.000 0.264 76 E C -0.220 176.293 176.600 -0.145 0.000 1.024 76 E CA 0.009 56.421 56.400 0.019 0.000 0.903 76 E CB 0.136 29.839 29.700 0.004 0.000 0.963 76 E HN 0.356 nan 8.360 nan 0.000 0.432 77 N N 0.409 119.035 118.700 -0.123 0.000 2.863 77 N HA -0.220 4.535 4.740 0.024 0.000 0.245 77 N C -1.117 174.248 175.510 -0.242 0.000 1.001 77 N CA 1.197 54.126 53.050 -0.201 0.000 0.901 77 N CB -1.327 36.996 38.487 -0.273 0.000 1.124 77 N HN 0.376 nan 8.380 nan 0.000 0.582 78 Y N 0.563 120.870 120.300 0.011 0.000 2.420 78 Y HA 0.647 5.212 4.550 0.025 0.000 0.334 78 Y C 0.841 176.744 175.900 0.006 0.000 1.094 78 Y CA -0.735 57.370 58.100 0.009 0.000 1.126 78 Y CB 1.172 39.638 38.460 0.010 0.000 1.217 78 Y HN 0.127 nan 8.280 nan 0.000 0.462 79 A N 2.714 125.656 122.820 0.202 0.000 2.407 79 A HA 0.397 4.732 4.320 0.024 0.000 0.248 79 A C -0.683 176.950 177.584 0.081 0.000 1.082 79 A CA -0.503 51.597 52.037 0.104 0.000 0.785 79 A CB 0.065 19.112 19.000 0.078 0.000 1.020 79 A HN 0.711 nan 8.150 nan 0.000 0.489 80 L N 2.849 124.101 121.223 0.049 0.000 2.410 80 L HA 0.492 4.846 4.340 0.024 0.000 0.273 80 L C 0.667 177.546 176.870 0.015 0.000 1.152 80 L CA 1.297 56.152 54.840 0.025 0.000 0.855 80 L CB 0.383 42.448 42.059 0.010 0.000 1.129 80 L HN 0.916 nan 8.230 nan 0.000 0.463 81 T N 0.426 114.983 114.554 0.004 0.000 2.883 81 T HA 0.624 4.989 4.350 0.024 0.000 0.296 81 T C 0.143 174.844 174.700 0.003 0.000 1.117 81 T CA -0.195 61.910 62.100 0.009 0.000 1.006 81 T CB 1.035 69.910 68.868 0.011 0.000 1.191 81 T HN 0.845 nan 8.240 nan 0.000 0.508 82 T N 0.684 115.252 114.554 0.025 0.000 2.680 82 T HA 0.166 4.531 4.350 0.024 0.000 0.314 82 T C 1.132 175.849 174.700 0.028 0.000 1.045 82 T CA -0.341 61.782 62.100 0.039 0.000 1.025 82 T CB -0.071 68.862 68.868 0.110 0.000 1.000 82 T HN 0.585 nan 8.240 nan 0.000 0.535 83 N N 0.623 119.341 118.700 0.031 0.000 2.381 83 N HA -0.079 4.675 4.740 0.024 0.000 0.182 83 N C 1.631 177.160 175.510 0.032 0.000 1.025 83 N CA 0.688 53.750 53.050 0.020 0.000 0.888 83 N CB -0.198 38.310 38.487 0.035 0.000 0.965 83 N HN 0.580 nan 8.380 nan 0.000 0.438 84 Q N -0.410 119.423 119.800 0.054 0.000 2.403 84 Q HA 0.170 4.524 4.340 0.024 0.000 0.203 84 Q C 0.841 176.863 176.000 0.037 0.000 0.932 84 Q CA 0.265 56.095 55.803 0.046 0.000 0.945 84 Q CB 0.255 29.027 28.738 0.056 0.000 1.045 84 Q HN 0.417 nan 8.270 nan 0.000 0.511 85 G N 0.340 109.159 108.800 0.033 0.000 2.141 85 G HA2 -0.241 3.734 3.960 0.024 0.000 0.242 85 G HA3 -0.241 3.734 3.960 0.024 0.000 0.242 85 G C 0.102 175.026 174.900 0.041 0.000 0.982 85 G CA 0.133 45.247 45.100 0.023 0.000 0.662 85 G HN 0.236 nan 8.290 nan 0.000 0.527 86 V N 1.771 121.727 119.914 0.070 0.000 2.432 86 V HA 0.347 4.482 4.120 0.024 0.000 0.271 86 V C 1.318 177.453 176.094 0.069 0.000 1.046 86 V CA -0.542 61.813 62.300 0.091 0.000 0.945 86 V CB 1.023 32.950 31.823 0.173 0.000 0.992 86 V HN 0.407 nan 8.190 nan 0.000 0.471 87 R N 4.466 124.999 120.500 0.054 0.000 2.570 87 R HA 0.303 4.657 4.340 0.024 0.000 0.277 87 R C -0.481 175.835 176.300 0.027 0.000 1.039 87 R CA 0.037 56.160 56.100 0.037 0.000 1.065 87 R CB 0.411 30.732 30.300 0.036 0.000 0.964 87 R HN 0.580 nan 8.270 nan 0.000 0.428 88 I N 2.272 122.845 120.570 0.005 0.000 2.331 88 I HA 0.119 4.304 4.170 0.024 0.000 0.292 88 I C 0.992 177.100 176.117 -0.016 0.000 0.998 88 I CA 0.027 61.314 61.300 -0.022 0.000 1.267 88 I CB 1.853 39.828 38.000 -0.041 0.000 1.386 88 I HN 0.771 nan 8.210 nan 0.000 0.476 89 A N 4.130 126.938 122.820 -0.022 0.000 1.911 89 A HA 0.004 4.338 4.320 0.024 0.000 0.212 89 A C 0.702 178.271 177.584 -0.024 0.000 1.189 89 A CA 0.956 52.984 52.037 -0.016 0.000 0.639 89 A CB 0.049 19.043 19.000 -0.011 0.000 0.839 89 A HN 0.686 nan 8.150 nan 0.000 0.449 90 D N -0.595 119.782 120.400 -0.038 0.000 2.421 90 D HA 0.313 4.967 4.640 0.024 0.000 0.254 90 D C -1.287 174.981 176.300 -0.053 0.000 1.238 90 D CA -0.387 53.589 54.000 -0.040 0.000 0.919 90 D CB 1.102 41.880 40.800 -0.038 0.000 1.152 90 D HN 0.056 nan 8.370 nan 0.000 0.552 91 D N 1.997 122.368 120.400 -0.047 0.000 2.370 91 D HA 0.046 4.701 4.640 0.024 0.000 0.230 91 D C 0.562 176.830 176.300 -0.054 0.000 1.143 91 D CA 0.316 54.283 54.000 -0.055 0.000 0.834 91 D CB 0.486 41.259 40.800 -0.045 0.000 0.944 91 D HN 0.240 nan 8.370 nan 0.000 0.504 92 Q N -0.638 119.132 119.800 -0.050 0.000 2.214 92 Q HA 0.272 4.626 4.340 0.024 0.000 0.229 92 Q C -0.211 175.759 176.000 -0.050 0.000 0.835 92 Q CA 0.091 55.865 55.803 -0.048 0.000 0.953 92 Q CB 0.838 29.553 28.738 -0.038 0.000 1.131 92 Q HN 0.185 nan 8.270 nan 0.000 0.501 93 N N 0.009 118.677 118.700 -0.053 0.000 2.329 93 N HA 0.312 5.066 4.740 0.024 0.000 0.282 93 N C -0.983 174.491 175.510 -0.060 0.000 1.198 93 N CA -0.270 52.749 53.050 -0.051 0.000 0.790 93 N CB 2.094 40.557 38.487 -0.041 0.000 1.579 93 N HN -0.185 nan 8.380 nan 0.000 0.475 94 S N 0.701 116.369 115.700 -0.054 0.000 2.617 94 S HA 0.287 4.772 4.470 0.024 0.000 0.269 94 S C 0.170 174.742 174.600 -0.046 0.000 1.292 94 S CA -0.570 57.597 58.200 -0.055 0.000 1.010 94 S CB 0.730 63.904 63.200 -0.043 0.000 0.944 94 S HN 0.390 nan 8.310 nan 0.000 0.536 95 L N 3.491 124.687 121.223 -0.046 0.000 2.360 95 L HA 0.372 4.726 4.340 0.024 0.000 0.276 95 L C 0.157 177.018 176.870 -0.016 0.000 1.121 95 L CA 0.476 55.298 54.840 -0.030 0.000 0.845 95 L CB -0.152 41.892 42.059 -0.025 0.000 1.143 95 L HN 0.713 nan 8.230 nan 0.000 0.452 96 R N 4.201 124.694 120.500 -0.011 0.000 2.836 96 R HA 0.855 5.209 4.340 0.024 0.000 0.269 96 R C -1.125 175.173 176.300 -0.002 0.000 1.010 96 R CA -0.857 55.239 56.100 -0.006 0.000 0.930 96 R CB 1.133 31.427 30.300 -0.010 0.000 1.218 96 R HN 0.571 nan 8.270 nan 0.000 0.473 97 A N 1.254 124.075 122.820 0.000 0.000 2.666 97 A HA 0.575 4.909 4.320 0.024 0.000 0.312 97 A C 0.585 178.169 177.584 -0.000 0.000 1.471 97 A CA 0.314 52.352 52.037 0.002 0.000 1.134 97 A CB -0.934 18.069 19.000 0.004 0.000 1.129 97 A HN 1.233 nan 8.150 nan 0.000 0.539 98 G N 1.194 109.993 108.800 -0.001 0.000 2.719 98 G HA2 0.044 4.019 3.960 0.024 0.000 0.686 98 G HA3 0.044 4.019 3.960 0.024 0.000 0.686 98 G C 0.620 175.517 174.900 -0.005 0.000 1.201 98 G CA 0.066 45.164 45.100 -0.003 0.000 0.768 98 G HN 1.806 nan 8.290 nan 0.000 0.629 99 S N 0.010 115.706 115.700 -0.007 0.000 2.507 99 S HA -0.004 4.481 4.470 0.024 0.000 0.235 99 S C 1.514 176.108 174.600 -0.010 0.000 0.988 99 S CA 1.335 59.530 58.200 -0.009 0.000 0.944 99 S CB 0.056 63.250 63.200 -0.010 0.000 0.762 99 S HN 0.754 nan 8.310 nan 0.000 0.526 100 R N 0.825 121.320 120.500 -0.008 0.000 2.586 100 R HA 0.347 4.701 4.340 0.024 0.000 0.336 100 R C 0.906 177.202 176.300 -0.007 0.000 1.060 100 R CA 0.065 56.160 56.100 -0.008 0.000 1.079 100 R CB 0.771 31.067 30.300 -0.007 0.000 1.317 100 R HN 0.439 nan 8.270 nan 0.000 0.568 101 G N 1.671 110.467 108.800 -0.006 0.000 2.671 101 G HA2 0.407 4.381 3.960 0.024 0.000 0.275 101 G HA3 0.407 4.381 3.960 0.024 0.000 0.275 101 G C -2.465 172.433 174.900 -0.004 0.000 1.368 101 G CA -1.102 43.995 45.100 -0.004 0.000 1.044 101 G HN -0.112 nan 8.290 nan 0.000 0.543 102 P HA 0.247 nan 4.420 nan 0.000 0.277 102 P C -0.296 177.003 177.300 -0.002 0.000 1.240 102 P CA -0.089 63.010 63.100 -0.001 0.000 0.798 102 P CB 1.005 32.706 31.700 0.002 0.000 0.979 103 T N 2.595 117.147 114.554 -0.003 0.000 2.901 103 T HA 0.237 4.602 4.350 0.024 0.000 0.301 103 T C 0.510 175.213 174.700 0.005 0.000 1.012 103 T CA -0.025 62.073 62.100 -0.003 0.000 1.135 103 T CB -0.047 68.816 68.868 -0.008 0.000 0.936 103 T HN 0.185 nan 8.240 nan 0.000 0.539 104 L N 3.458 124.686 121.223 0.008 0.000 2.343 104 L HA 0.341 4.696 4.340 0.024 0.000 0.275 104 L C 1.374 178.261 176.870 0.027 0.000 1.056 104 L CA -0.829 54.022 54.840 0.018 0.000 0.804 104 L CB 0.972 43.044 42.059 0.022 0.000 1.203 104 L HN 0.501 nan 8.230 nan 0.000 0.440 105 L N 2.112 123.355 121.223 0.034 0.000 2.131 105 L HA -0.182 4.172 4.340 0.024 0.000 0.210 105 L C 2.342 179.253 176.870 0.068 0.000 1.092 105 L CA 1.637 56.504 54.840 0.045 0.000 0.759 105 L CB -0.572 41.511 42.059 0.040 0.000 0.903 105 L HN 0.798 nan 8.230 nan 0.000 0.435 106 E N -1.450 118.795 120.200 0.074 0.000 2.515 106 E HA -0.205 4.159 4.350 0.024 0.000 0.201 106 E C 0.261 176.962 176.600 0.169 0.000 1.071 106 E CA 0.357 56.830 56.400 0.121 0.000 0.880 106 E CB -0.564 29.199 29.700 0.105 0.000 0.828 106 E HN 0.373 nan 8.360 nan 0.000 0.540 107 D N 1.158 121.609 120.400 0.084 0.000 2.489 107 D HA -0.057 4.598 4.640 0.024 0.000 0.237 107 D C 0.418 176.722 176.300 0.007 0.000 1.212 107 D CA -0.382 53.621 54.000 0.006 0.000 1.058 107 D CB -0.245 40.530 40.800 -0.042 0.000 1.098 107 D HN 0.327 nan 8.370 nan 0.000 0.509 108 F N 1.530 121.488 119.950 0.014 0.000 2.407 108 F HA 0.089 4.627 4.527 0.017 0.000 0.299 108 F C 1.628 177.440 175.800 0.020 0.000 1.097 108 F CA 0.096 58.107 58.000 0.019 0.000 1.422 108 F CB -0.581 38.429 39.000 0.017 0.000 1.067 108 F HN 0.164 nan 8.300 nan 0.000 0.539 109 I N 0.265 120.412 120.570 -0.704 0.000 2.233 109 I HA -0.187 3.998 4.170 0.024 0.000 0.243 109 I C 2.478 178.479 176.117 -0.193 0.000 1.093 109 I CA 0.905 61.912 61.300 -0.488 0.000 1.380 109 I CB -0.496 37.158 38.000 -0.576 0.000 1.067 109 I HN 0.255 nan 8.210 nan 0.000 0.413 110 L N 1.220 122.343 121.223 -0.168 0.000 1.971 110 L HA -0.252 4.103 4.340 0.024 0.000 0.215 110 L C 2.663 179.519 176.870 -0.024 0.000 1.072 110 L CA 1.989 56.779 54.840 -0.082 0.000 0.758 110 L CB -0.564 41.455 42.059 -0.068 0.000 0.889 110 L HN 0.068 nan 8.230 nan 0.000 0.433 111 R N -0.728 119.776 120.500 0.007 0.000 2.096 111 R HA -0.182 4.173 4.340 0.024 0.000 0.235 111 R C 2.309 178.662 176.300 0.089 0.000 1.127 111 R CA 1.482 57.617 56.100 0.058 0.000 0.968 111 R CB -0.413 29.936 30.300 0.082 0.000 0.861 111 R HN 0.602 nan 8.270 nan 0.000 0.440 112 E N 1.222 121.478 120.200 0.094 0.000 2.077 112 E HA -0.249 4.115 4.350 0.024 0.000 0.193 112 E C 1.937 178.611 176.600 0.123 0.000 0.989 112 E CA 1.325 57.799 56.400 0.123 0.000 0.800 112 E CB 0.110 29.885 29.700 0.125 0.000 0.746 112 E HN 0.169 nan 8.360 nan 0.000 0.452 113 K N 0.267 120.708 120.400 0.069 0.000 2.001 113 K HA -0.126 4.209 4.320 0.024 0.000 0.208 113 K C 2.160 178.830 176.600 0.117 0.000 1.048 113 K CA 1.340 57.666 56.287 0.065 0.000 0.932 113 K CB -0.043 32.453 32.500 -0.007 0.000 0.715 113 K HN 0.138 nan 8.250 nan 0.000 0.437 114 I N 1.408 122.026 120.570 0.080 0.000 2.315 114 I HA -0.187 3.998 4.170 0.024 0.000 0.248 114 I C 2.101 178.323 176.117 0.175 0.000 1.117 114 I CA 1.349 62.716 61.300 0.112 0.000 1.404 114 I CB -1.390 36.639 38.000 0.048 0.000 1.071 114 I HN 0.255 nan 8.210 nan 0.000 0.419 115 T N -0.428 114.222 114.554 0.160 0.000 2.746 115 T HA -0.204 4.161 4.350 0.024 0.000 0.267 115 T C 1.953 176.782 174.700 0.215 0.000 1.039 115 T CA 1.268 63.479 62.100 0.186 0.000 1.142 115 T CB -0.390 68.602 68.868 0.206 0.000 0.866 115 T HN 0.352 nan 8.240 nan 0.000 0.444 116 H N -0.149 119.012 119.070 0.152 0.000 2.389 116 H HA -0.034 4.536 4.556 0.024 0.000 0.299 116 H C 2.164 177.551 175.328 0.098 0.000 1.081 116 H CA 1.296 57.421 56.048 0.128 0.000 1.345 116 H CB -0.359 29.460 29.762 0.095 0.000 1.393 116 H HN 0.395 nan 8.280 nan 0.000 0.520 117 F N 2.066 122.077 119.950 0.101 0.000 2.095 117 F HA -0.211 4.328 4.527 0.020 0.000 0.298 117 F C 1.908 177.649 175.800 -0.098 0.000 1.104 117 F CA 1.810 59.815 58.000 0.007 0.000 1.232 117 F CB -0.284 38.714 39.000 -0.003 0.000 0.987 117 F HN 0.058 nan 8.300 nan 0.000 0.475 118 D N -1.288 119.023 120.400 -0.147 0.000 2.350 118 D HA -0.123 4.532 4.640 0.024 0.000 0.216 118 D C 1.104 176.990 176.300 -0.689 0.000 0.968 118 D CA 1.097 54.836 54.000 -0.434 0.000 0.894 118 D CB -0.345 40.179 40.800 -0.461 0.000 0.909 118 D HN 0.489 nan 8.370 nan 0.000 0.520 119 H N -0.530 118.421 119.070 -0.198 0.000 2.510 119 H HA 0.225 4.792 4.556 0.018 0.000 0.266 119 H C 1.014 176.181 175.328 -0.269 0.000 1.146 119 H CA -0.139 55.788 56.048 -0.202 0.000 0.993 119 H CB 0.522 30.183 29.762 -0.169 0.000 1.727 119 H HN 0.250 nan 8.280 nan 0.000 0.590 120 E N 0.690 120.725 120.200 -0.275 0.000 2.150 120 E HA -0.046 4.319 4.350 0.024 0.000 0.193 120 E C 0.500 176.944 176.600 -0.260 0.000 0.985 120 E CA 0.585 56.797 56.400 -0.313 0.000 0.814 120 E CB 0.456 29.945 29.700 -0.351 0.000 0.752 120 E HN 0.166 nan 8.360 nan 0.000 0.466 121 R N 1.187 121.593 120.500 -0.156 0.000 2.410 121 R HA 0.341 4.695 4.340 0.024 0.000 0.288 121 R C 0.419 176.752 176.300 0.055 0.000 1.051 121 R CA -0.243 55.836 56.100 -0.034 0.000 1.021 121 R CB 0.690 30.964 30.300 -0.043 0.000 1.032 121 R HN 0.166 nan 8.270 nan 0.000 0.481 122 I N -0.918 119.747 120.570 0.159 0.000 2.797 122 I HA 0.570 4.754 4.170 0.024 0.000 0.307 122 I C -2.234 173.944 176.117 0.102 0.000 1.033 122 I CA -2.921 58.465 61.300 0.144 0.000 1.071 122 I CB 1.820 39.946 38.000 0.210 0.000 1.255 122 I HN 0.257 nan 8.210 nan 0.000 0.445 123 P HA 0.065 nan 4.420 nan 0.000 0.266 123 P C -0.832 176.499 177.300 0.052 0.000 1.195 123 P CA -0.037 63.090 63.100 0.046 0.000 0.768 123 P CB 0.401 32.116 31.700 0.025 0.000 0.838 124 E N 2.691 122.924 120.200 0.055 0.000 2.369 124 E HA 0.180 4.544 4.350 0.024 0.000 0.255 124 E C -0.422 176.206 176.600 0.046 0.000 1.172 124 E CA -0.822 55.616 56.400 0.063 0.000 0.932 124 E CB 0.607 30.349 29.700 0.071 0.000 1.040 124 E HN 0.259 nan 8.360 nan 0.000 0.454 125 R N 0.583 121.116 120.500 0.056 0.000 2.623 125 R HA 0.012 4.367 4.340 0.024 0.000 0.271 125 R C 1.304 177.639 176.300 0.058 0.000 1.043 125 R CA -0.483 55.646 56.100 0.049 0.000 1.083 125 R CB 0.305 30.653 30.300 0.080 0.000 0.974 125 R HN 0.571 nan 8.270 nan 0.000 0.436 126 I N 1.826 122.424 120.570 0.047 0.000 2.208 126 I HA -0.144 4.040 4.170 0.024 0.000 0.245 126 I C 1.223 177.393 176.117 0.089 0.000 1.097 126 I CA 1.538 62.875 61.300 0.061 0.000 1.363 126 I CB -1.023 37.018 38.000 0.068 0.000 1.051 126 I HN 0.400 nan 8.210 nan 0.000 0.413 127 V N -3.517 116.484 119.914 0.146 0.000 3.102 127 V HA 0.510 4.644 4.120 0.024 0.000 0.312 127 V C 0.437 176.703 176.094 0.287 0.000 1.135 127 V CA -0.863 61.549 62.300 0.187 0.000 1.022 127 V CB 1.751 33.759 31.823 0.308 0.000 1.056 127 V HN 0.434 nan 8.190 nan 0.000 0.436 128 H N 0.082 119.218 119.070 0.109 0.000 2.820 128 H HA -0.230 4.340 4.556 0.024 0.000 0.295 128 H C 1.579 176.955 175.328 0.081 0.000 1.187 128 H CA 0.774 56.879 56.048 0.094 0.000 1.144 128 H CB -1.234 28.571 29.762 0.072 0.000 1.354 128 H HN 1.165 nan 8.280 nan 0.000 0.395 129 A N 0.762 123.673 122.820 0.151 0.000 2.024 129 A HA -0.126 4.209 4.320 0.024 0.000 0.220 129 A C 1.680 179.356 177.584 0.153 0.000 1.164 129 A CA 1.425 53.541 52.037 0.131 0.000 0.643 129 A CB -0.111 18.945 19.000 0.093 0.000 0.806 129 A HN 0.308 nan 8.150 nan 0.000 0.451 130 R N -0.034 120.558 120.500 0.153 0.000 2.221 130 R HA 0.518 4.872 4.340 0.024 0.000 0.327 130 R C -0.233 176.196 176.300 0.215 0.000 1.033 130 R CA 0.733 56.942 56.100 0.182 0.000 0.887 130 R CB 0.550 30.943 30.300 0.156 0.000 1.057 130 R HN 0.324 nan 8.270 nan 0.000 0.455 131 G N 1.215 110.172 108.800 0.260 0.000 2.702 131 G HA2 0.447 4.422 3.960 0.024 0.000 0.296 131 G HA3 0.447 4.422 3.960 0.024 0.000 0.296 131 G C -1.644 173.419 174.900 0.271 0.000 1.463 131 G CA -0.616 44.600 45.100 0.193 0.000 0.890 131 G HN 0.522 nan 8.290 nan 0.000 0.534 132 S N -0.694 115.122 115.700 0.193 0.000 2.521 132 S HA 0.913 5.398 4.470 0.024 0.000 0.295 132 S C -0.021 174.595 174.600 0.027 0.000 1.098 132 S CA -0.206 58.157 58.200 0.272 0.000 0.999 132 S CB 1.813 65.293 63.200 0.466 0.000 1.034 132 S HN 1.584 nan 8.310 nan 0.000 0.483 133 A N 1.516 124.308 122.820 -0.045 0.000 2.515 133 A HA 1.023 5.357 4.320 0.024 0.000 0.296 133 A C -0.969 176.397 177.584 -0.362 0.000 1.094 133 A CA -0.766 51.014 52.037 -0.428 0.000 0.718 133 A CB 1.605 20.176 19.000 -0.716 0.000 1.307 133 A HN 1.325 nan 8.150 nan 0.000 0.408 134 A N 0.491 122.934 122.820 -0.629 0.000 2.612 134 A HA 0.708 5.042 4.320 0.024 0.000 0.293 134 A C -1.142 176.216 177.584 -0.376 0.000 1.075 134 A CA -0.658 51.175 52.037 -0.340 0.000 0.680 134 A CB 0.739 19.642 19.000 -0.162 0.000 1.279 134 A HN 0.876 nan 8.150 nan 0.000 0.411 135 H N -0.159 118.930 119.070 0.032 0.000 2.511 135 H HA 0.640 5.210 4.556 0.024 0.000 0.346 135 H C 0.671 175.993 175.328 -0.010 0.000 1.128 135 H CA 1.101 57.225 56.048 0.127 0.000 1.342 135 H CB 1.748 31.576 29.762 0.111 0.000 1.470 135 H HN 1.139 nan 8.280 nan 0.000 0.546 136 G N 1.139 110.027 108.800 0.146 0.000 2.510 136 G HA2 0.350 4.324 3.960 0.024 0.000 0.277 136 G HA3 0.350 4.324 3.960 0.024 0.000 0.277 136 G C -1.986 173.038 174.900 0.206 0.000 1.223 136 G CA -0.620 44.535 45.100 0.091 0.000 0.887 136 G HN 0.624 nan 8.290 nan 0.000 0.485 137 Y N -1.754 118.582 120.300 0.059 0.000 2.609 137 Y HA 0.829 5.393 4.550 0.024 0.000 0.336 137 Y C -1.717 174.327 175.900 0.240 0.000 1.129 137 Y CA -1.890 56.293 58.100 0.138 0.000 1.040 137 Y CB 1.861 40.376 38.460 0.092 0.000 1.310 137 Y HN 0.818 nan 8.280 nan 0.000 0.460 138 F N 2.229 122.308 119.950 0.216 0.000 2.563 138 F HA 0.716 5.257 4.527 0.024 0.000 0.316 138 F C -1.255 174.726 175.800 0.302 0.000 1.076 138 F CA -0.600 57.531 58.000 0.218 0.000 0.921 138 F CB 2.388 41.641 39.000 0.422 0.000 1.209 138 F HN 0.807 nan 8.300 nan 0.000 0.462 139 Q N 6.482 125.729 119.800 -0.921 0.000 2.309 139 Q HA 0.478 4.833 4.340 0.024 0.000 0.273 139 Q C -2.974 172.377 176.000 -1.081 0.000 1.040 139 Q CA -2.362 53.046 55.803 -0.657 0.000 0.834 139 Q CB 3.222 31.863 28.738 -0.162 0.000 1.345 139 Q HN 0.373 nan 8.270 nan 0.000 0.414 140 P HA 0.078 nan 4.420 nan 0.000 0.281 140 P C -0.452 176.686 177.300 -0.271 0.000 1.249 140 P CA 0.021 62.834 63.100 -0.477 0.000 0.810 140 P CB 0.656 32.261 31.700 -0.159 0.000 1.008 141 Y N 0.989 121.218 120.300 -0.118 0.000 2.314 141 Y HA -0.078 4.487 4.550 0.024 0.000 0.293 141 Y C 1.528 177.397 175.900 -0.051 0.000 1.129 141 Y CA 0.618 58.676 58.100 -0.070 0.000 1.201 141 Y CB 0.141 38.569 38.460 -0.053 0.000 0.999 141 Y HN 0.366 nan 8.280 nan 0.000 0.541 142 K N -1.011 119.449 120.400 0.100 0.000 2.533 142 K HA 0.419 4.753 4.320 0.024 0.000 0.272 142 K C -0.886 175.716 176.600 0.004 0.000 0.985 142 K CA -0.972 55.342 56.287 0.045 0.000 0.876 142 K CB 1.606 34.133 32.500 0.044 0.000 1.452 142 K HN -0.249 nan 8.250 nan 0.000 0.439 143 S N 0.868 116.568 115.700 -0.000 0.000 2.537 143 S HA 0.128 4.612 4.470 0.024 0.000 0.286 143 S C 0.470 175.056 174.600 -0.023 0.000 1.299 143 S CA -0.598 57.593 58.200 -0.016 0.000 1.067 143 S CB -0.195 63.000 63.200 -0.008 0.000 0.864 143 S HN 0.560 nan 8.310 nan 0.000 0.494 144 L N 4.766 125.964 121.223 -0.042 0.000 2.791 144 L HA 0.114 4.468 4.340 0.024 0.000 0.239 144 L C 2.100 178.952 176.870 -0.030 0.000 1.203 144 L CA 0.033 54.855 54.840 -0.031 0.000 1.002 144 L CB -0.308 41.733 42.059 -0.030 0.000 1.295 144 L HN 0.857 nan 8.230 nan 0.000 0.504 145 S N -1.410 114.270 115.700 -0.032 0.000 2.420 145 S HA -0.212 4.272 4.470 0.024 0.000 0.237 145 S C 1.260 175.843 174.600 -0.028 0.000 1.023 145 S CA 1.304 59.485 58.200 -0.033 0.000 0.991 145 S CB -0.217 62.968 63.200 -0.024 0.000 0.792 145 S HN 0.407 nan 8.310 nan 0.000 0.488 146 D N 1.803 122.192 120.400 -0.020 0.000 2.310 146 D HA 0.041 4.696 4.640 0.024 0.000 0.212 146 D C 1.734 178.019 176.300 -0.025 0.000 0.965 146 D CA 1.282 55.271 54.000 -0.018 0.000 0.879 146 D CB -0.153 40.641 40.800 -0.010 0.000 0.921 146 D HN 0.821 nan 8.370 nan 0.000 0.510 147 I N -4.455 116.100 120.570 -0.025 0.000 4.456 147 I HA 0.234 4.418 4.170 0.024 0.000 0.329 147 I C 0.301 176.380 176.117 -0.063 0.000 1.313 147 I CA -0.051 61.228 61.300 -0.035 0.000 1.205 147 I CB 1.295 39.295 38.000 -0.000 0.000 1.179 147 I HN -0.255 nan 8.210 nan 0.000 0.419 148 T N 1.755 116.273 114.554 -0.061 0.000 3.041 148 T HA 0.314 4.679 4.350 0.024 0.000 0.321 148 T C -0.102 174.544 174.700 -0.090 0.000 1.184 148 T CA -0.648 61.397 62.100 -0.093 0.000 1.050 148 T CB 1.797 70.600 68.868 -0.108 0.000 1.159 148 T HN 0.430 nan 8.240 nan 0.000 0.469 149 K N 2.618 122.963 120.400 -0.091 0.000 2.437 149 K HA 0.578 4.912 4.320 0.024 0.000 0.198 149 K C 0.723 177.281 176.600 -0.069 0.000 1.024 149 K CA -0.322 55.923 56.287 -0.070 0.000 1.148 149 K CB 0.208 32.673 32.500 -0.058 0.000 0.860 149 K HN 0.499 nan 8.250 nan 0.000 0.515 150 A N 2.039 124.791 122.820 -0.114 0.000 2.545 150 A HA -0.057 4.278 4.320 0.024 0.000 0.253 150 A C 0.572 178.107 177.584 -0.083 0.000 1.074 150 A CA 0.088 52.060 52.037 -0.110 0.000 0.760 150 A CB 0.084 18.938 19.000 -0.244 0.000 1.005 150 A HN 0.488 nan 8.150 nan 0.000 0.506 151 D N 2.221 122.652 120.400 0.052 0.000 2.144 151 D HA -0.228 4.427 4.640 0.024 0.000 0.199 151 D C 1.377 177.748 176.300 0.119 0.000 0.984 151 D CA 2.185 56.233 54.000 0.080 0.000 0.834 151 D CB -0.246 40.623 40.800 0.115 0.000 0.955 151 D HN 0.735 nan 8.370 nan 0.000 0.465 152 F N -0.449 119.526 119.950 0.043 0.000 2.494 152 F HA 0.097 4.639 4.527 0.025 0.000 0.298 152 F C 1.043 176.939 175.800 0.161 0.000 1.106 152 F CA 0.558 58.626 58.000 0.113 0.000 1.452 152 F CB -0.236 38.828 39.000 0.107 0.000 1.085 152 F HN -0.028 nan 8.300 nan 0.000 0.569 153 L N 0.662 121.620 121.223 -0.443 0.000 2.857 153 L HA 0.196 4.550 4.340 0.024 0.000 0.249 153 L C 1.871 178.652 176.870 -0.148 0.000 1.172 153 L CA 0.385 55.004 54.840 -0.368 0.000 0.980 153 L CB -0.042 41.678 42.059 -0.566 0.000 1.299 153 L HN 0.308 nan 8.230 nan 0.000 0.535 154 S N -2.376 113.279 115.700 -0.076 0.000 2.501 154 S HA 0.043 4.527 4.470 0.024 0.000 0.220 154 S C 0.382 174.976 174.600 -0.010 0.000 0.997 154 S CA -0.046 58.132 58.200 -0.037 0.000 0.919 154 S CB 0.155 63.347 63.200 -0.013 0.000 0.778 154 S HN 0.346 nan 8.310 nan 0.000 0.523 155 D N 0.764 121.167 120.400 0.004 0.000 2.891 155 D HA 0.327 4.982 4.640 0.024 0.000 0.224 155 D C -2.485 173.825 176.300 0.017 0.000 1.321 155 D CA -1.858 52.152 54.000 0.016 0.000 0.929 155 D CB 2.098 42.916 40.800 0.030 0.000 1.551 155 D HN -0.158 nan 8.370 nan 0.000 0.574 156 P HA -0.079 nan 4.420 nan 0.000 0.223 156 P C 0.405 177.717 177.300 0.021 0.000 1.144 156 P CA 0.672 63.779 63.100 0.011 0.000 0.783 156 P CB 0.435 32.154 31.700 0.032 0.000 0.771 157 N N -0.407 118.311 118.700 0.030 0.000 2.336 157 N HA 0.010 4.764 4.740 0.024 0.000 0.189 157 N C 0.631 176.171 175.510 0.050 0.000 1.113 157 N CA 0.246 53.317 53.050 0.036 0.000 0.858 157 N CB 0.099 38.604 38.487 0.030 0.000 0.970 157 N HN 0.276 nan 8.380 nan 0.000 0.471 158 K N 1.656 122.095 120.400 0.065 0.000 2.316 158 K HA 0.197 4.531 4.320 0.024 0.000 0.289 158 K C -0.640 176.049 176.600 0.149 0.000 1.070 158 K CA -0.226 56.124 56.287 0.105 0.000 0.928 158 K CB 0.485 33.059 32.500 0.122 0.000 1.039 158 K HN -0.146 nan 8.250 nan 0.000 0.480 159 I N 3.858 124.523 120.570 0.159 0.000 2.354 159 I HA 0.179 4.363 4.170 0.024 0.000 0.292 159 I C -0.029 176.257 176.117 0.281 0.000 0.989 159 I CA -0.458 60.969 61.300 0.211 0.000 1.188 159 I CB 1.578 39.654 38.000 0.125 0.000 1.342 159 I HN 0.539 nan 8.210 nan 0.000 0.457 160 T N 7.945 122.750 114.554 0.419 0.000 2.791 160 T HA 0.392 4.756 4.350 0.024 0.000 0.288 160 T C -2.491 172.464 174.700 0.426 0.000 0.999 160 T CA -1.348 61.020 62.100 0.448 0.000 0.952 160 T CB 1.722 70.961 68.868 0.617 0.000 0.938 160 T HN 0.263 nan 8.240 nan 0.000 0.444 161 P HA 0.289 nan 4.420 nan 0.000 0.271 161 P C -0.619 176.914 177.300 0.389 0.000 1.218 161 P CA -0.460 62.833 63.100 0.320 0.000 0.780 161 P CB 0.578 32.391 31.700 0.190 0.000 0.901 162 V N 0.046 120.126 119.914 0.276 0.000 3.001 162 V HA 0.743 4.878 4.120 0.024 0.000 0.314 162 V C -1.292 174.944 176.094 0.238 0.000 1.099 162 V CA -0.982 61.378 62.300 0.100 0.000 0.989 162 V CB 2.191 33.851 31.823 -0.270 0.000 1.040 162 V HN 0.330 nan 8.190 nan 0.000 0.434 163 F N 2.217 122.132 119.950 -0.060 0.000 2.539 163 F HA 0.843 5.385 4.527 0.024 0.000 0.318 163 F C -0.907 174.773 175.800 -0.201 0.000 1.135 163 F CA -0.788 57.115 58.000 -0.160 0.000 0.915 163 F CB 2.018 40.948 39.000 -0.118 0.000 1.176 163 F HN 0.521 nan 8.300 nan 0.000 0.440 164 V N 6.726 126.158 119.914 -0.803 0.000 2.540 164 V HA 0.560 4.694 4.120 0.024 0.000 0.302 164 V C -0.660 174.743 176.094 -1.152 0.000 1.035 164 V CA -0.813 60.939 62.300 -0.913 0.000 0.873 164 V CB 1.904 33.123 31.823 -1.006 0.000 0.992 164 V HN 0.751 nan 8.190 nan 0.000 0.428 165 R N 3.685 123.514 120.500 -1.119 0.000 2.437 165 R HA 0.647 5.002 4.340 0.024 0.000 0.310 165 R C -1.600 174.067 176.300 -1.056 0.000 0.955 165 R CA -0.417 55.115 56.100 -0.946 0.000 0.851 165 R CB 1.211 31.137 30.300 -0.624 0.000 1.161 165 R HN 0.550 nan 8.270 nan 0.000 0.446 166 F N 1.653 121.170 119.950 -0.720 0.000 2.432 166 F HA 0.531 5.072 4.527 0.024 0.000 0.329 166 F C 0.341 175.760 175.800 -0.634 0.000 1.076 166 F CA -0.290 57.160 58.000 -0.916 0.000 1.018 166 F CB 2.235 40.177 39.000 -1.764 0.000 1.201 166 F HN 0.597 nan 8.300 nan 0.000 0.489 167 S N -1.194 114.413 115.700 -0.155 0.000 2.588 167 S HA 0.583 5.068 4.470 0.024 0.000 0.269 167 S C -0.567 174.168 174.600 0.224 0.000 1.157 167 S CA -0.943 57.319 58.200 0.104 0.000 0.824 167 S CB 1.299 64.614 63.200 0.191 0.000 1.126 167 S HN 0.739 nan 8.310 nan 0.000 0.464 168 T N -1.288 113.405 114.554 0.232 0.000 2.833 168 T HA 0.642 5.007 4.350 0.024 0.000 0.312 168 T C 0.864 175.543 174.700 -0.035 0.000 1.085 168 T CA -0.002 62.194 62.100 0.159 0.000 0.955 168 T CB 0.113 69.078 68.868 0.162 0.000 1.353 168 T HN 0.620 nan 8.240 nan 0.000 0.544 169 V N -0.127 119.727 119.914 -0.101 0.000 2.948 169 V HA 0.135 4.270 4.120 0.024 0.000 0.234 169 V C 2.740 178.762 176.094 -0.120 0.000 1.205 169 V CA 0.339 62.452 62.300 -0.312 0.000 1.234 169 V CB -0.357 31.352 31.823 -0.190 0.000 1.020 169 V HN 0.864 nan 8.190 nan 0.000 0.491 170 Q N 1.045 120.811 119.800 -0.056 0.000 2.123 170 Q HA 0.082 4.436 4.340 0.024 0.000 0.196 170 Q C 1.223 177.202 176.000 -0.036 0.000 0.958 170 Q CA 1.301 57.068 55.803 -0.060 0.000 0.841 170 Q CB -0.040 28.648 28.738 -0.083 0.000 0.915 170 Q HN 0.589 nan 8.270 nan 0.000 0.455 171 G N -0.203 108.590 108.800 -0.011 0.000 2.572 171 G HA2 0.432 4.406 3.960 0.024 0.000 0.261 171 G HA3 0.432 4.406 3.960 0.024 0.000 0.261 171 G C 0.079 174.989 174.900 0.017 0.000 1.197 171 G CA 0.031 45.130 45.100 -0.002 0.000 0.870 171 G HN 0.315 nan 8.290 nan 0.000 0.548 172 G N -1.147 107.659 108.800 0.010 0.000 2.653 172 G HA2 0.468 4.442 3.960 0.024 0.000 0.265 172 G HA3 0.468 4.442 3.960 0.024 0.000 0.265 172 G C 1.297 176.230 174.900 0.054 0.000 1.237 172 G CA 0.419 45.535 45.100 0.027 0.000 0.946 172 G HN 1.063 nan 8.290 nan 0.000 0.522 173 A N -0.834 122.028 122.820 0.071 0.000 2.067 173 A HA 0.177 4.512 4.320 0.024 0.000 0.219 173 A C 2.144 179.771 177.584 0.071 0.000 1.158 173 A CA 1.829 53.929 52.037 0.104 0.000 0.661 173 A CB -0.249 18.829 19.000 0.130 0.000 0.801 173 A HN 1.097 nan 8.150 nan 0.000 0.452 174 G N -0.132 108.691 108.800 0.037 0.000 3.434 174 G HA2 0.342 4.316 3.960 0.024 0.000 0.258 174 G HA3 0.342 4.316 3.960 0.024 0.000 0.258 174 G C 0.672 175.576 174.900 0.007 0.000 1.128 174 G CA 0.642 45.748 45.100 0.011 0.000 0.792 174 G HN 0.622 nan 8.290 nan 0.000 0.539 175 S N -0.163 115.550 115.700 0.022 0.000 2.661 175 S HA 0.751 5.235 4.470 0.024 0.000 0.265 175 S C 0.473 175.089 174.600 0.027 0.000 1.225 175 S CA -0.062 58.147 58.200 0.015 0.000 0.986 175 S CB 1.536 64.747 63.200 0.018 0.000 1.008 175 S HN 0.561 nan 8.310 nan 0.000 0.565 176 A N -0.018 122.814 122.820 0.020 0.000 2.286 176 A HA 0.479 4.813 4.320 0.024 0.000 0.286 176 A C 0.535 178.146 177.584 0.045 0.000 1.097 176 A CA -0.608 51.438 52.037 0.016 0.000 0.821 176 A CB 0.029 19.020 19.000 -0.015 0.000 1.076 176 A HN 0.848 nan 8.150 nan 0.000 0.490 177 D N 0.320 120.738 120.400 0.029 0.000 2.120 177 D HA -0.057 4.598 4.640 0.024 0.000 0.202 177 D C 1.665 177.963 176.300 -0.004 0.000 0.972 177 D CA 2.252 56.287 54.000 0.057 0.000 0.837 177 D CB -0.215 40.576 40.800 -0.016 0.000 0.989 177 D HN 0.671 nan 8.370 nan 0.000 0.469 178 T N -0.046 114.421 114.554 -0.145 0.000 3.406 178 T HA 0.264 4.628 4.350 0.024 0.000 0.244 178 T C 0.837 175.533 174.700 -0.007 0.000 0.949 178 T CA -0.554 61.457 62.100 -0.148 0.000 0.926 178 T CB -1.038 67.654 68.868 -0.293 0.000 1.089 178 T HN -0.076 nan 8.240 nan 0.000 0.604 179 V N -1.274 118.685 119.914 0.075 0.000 3.319 179 V HA 0.427 4.562 4.120 0.024 0.000 0.303 179 V C 0.712 176.954 176.094 0.248 0.000 1.094 179 V CA -1.388 61.008 62.300 0.159 0.000 1.106 179 V CB 0.372 32.274 31.823 0.132 0.000 1.099 179 V HN 0.541 nan 8.190 nan 0.000 0.476 180 R N 1.628 122.331 120.500 0.337 0.000 2.216 180 R HA 0.464 4.818 4.340 0.024 0.000 0.332 180 R C -0.961 175.423 176.300 0.141 0.000 1.056 180 R CA -0.057 56.190 56.100 0.244 0.000 0.901 180 R CB 0.144 30.524 30.300 0.134 0.000 1.039 180 R HN 1.064 nan 8.270 nan 0.000 0.456 181 D N 3.208 123.703 120.400 0.157 0.000 2.710 181 D HA 0.177 4.832 4.640 0.024 0.000 0.276 181 D C -0.606 175.809 176.300 0.191 0.000 1.267 181 D CA -0.609 53.472 54.000 0.136 0.000 0.772 181 D CB 1.170 42.042 40.800 0.119 0.000 1.299 181 D HN 0.202 nan 8.370 nan 0.000 0.421 182 I N 1.236 121.937 120.570 0.219 0.000 2.882 182 I HA 0.239 4.423 4.170 0.024 0.000 0.286 182 I C 0.867 177.123 176.117 0.231 0.000 1.139 182 I CA -0.044 61.397 61.300 0.234 0.000 1.379 182 I CB 0.027 38.199 38.000 0.286 0.000 1.410 182 I HN 0.245 nan 8.210 nan 0.000 0.594 183 R N 2.458 123.116 120.500 0.263 0.000 2.589 183 R HA 0.559 4.914 4.340 0.024 0.000 0.293 183 R C -0.054 176.433 176.300 0.311 0.000 0.963 183 R CA -0.789 55.483 56.100 0.286 0.000 0.905 183 R CB 1.394 31.887 30.300 0.321 0.000 1.144 183 R HN 0.806 nan 8.270 nan 0.000 0.459 184 G N 1.029 110.030 108.800 0.335 0.000 2.420 184 G HA2 0.463 4.437 3.960 0.024 0.000 0.284 184 G HA3 0.463 4.437 3.960 0.024 0.000 0.284 184 G C -1.270 173.707 174.900 0.129 0.000 1.177 184 G CA -0.037 45.233 45.100 0.284 0.000 0.841 184 G HN 0.351 nan 8.290 nan 0.000 0.527 185 F N 1.854 121.706 119.950 -0.163 0.000 2.828 185 F HA 0.649 5.190 4.527 0.024 0.000 0.355 185 F C -0.320 175.183 175.800 -0.496 0.000 1.200 185 F CA -1.865 55.930 58.000 -0.341 0.000 1.062 185 F CB 1.151 40.074 39.000 -0.129 0.000 1.351 185 F HN 0.677 nan 8.300 nan 0.000 0.504 186 A N 3.558 126.112 122.820 -0.443 0.000 2.331 186 A HA 0.799 5.133 4.320 0.024 0.000 0.320 186 A C -0.768 176.377 177.584 -0.732 0.000 1.138 186 A CA -0.495 51.115 52.037 -0.712 0.000 0.790 186 A CB 1.006 19.203 19.000 -1.339 0.000 1.206 186 A HN 0.562 nan 8.150 nan 0.000 0.470 187 T N 2.258 116.548 114.554 -0.439 0.000 2.840 187 T HA 0.370 4.735 4.350 0.024 0.000 0.287 187 T C -0.394 174.111 174.700 -0.324 0.000 0.991 187 T CA -0.453 61.385 62.100 -0.437 0.000 0.964 187 T CB 1.022 69.574 68.868 -0.528 0.000 0.954 187 T HN 0.635 nan 8.240 nan 0.000 0.438 188 K N 3.626 123.915 120.400 -0.186 0.000 2.264 188 K HA 0.451 4.786 4.320 0.024 0.000 0.277 188 K C -1.265 174.992 176.600 -0.572 0.000 1.067 188 K CA -0.546 55.541 56.287 -0.333 0.000 0.900 188 K CB 0.301 32.543 32.500 -0.431 0.000 1.124 188 K HN 0.394 nan 8.250 nan 0.000 0.469 189 F N 4.216 123.860 119.950 -0.510 0.000 2.404 189 F HA 0.246 4.787 4.527 0.024 0.000 0.354 189 F C -0.471 175.122 175.800 -0.344 0.000 1.122 189 F CA -0.595 57.174 58.000 -0.385 0.000 1.080 189 F CB 0.815 39.489 39.000 -0.544 0.000 1.131 189 F HN 0.449 nan 8.300 nan 0.000 0.471 190 Y N 1.898 122.252 120.300 0.091 0.000 2.714 190 Y HA 0.227 4.791 4.550 0.024 0.000 0.333 190 Y C 0.958 176.913 175.900 0.092 0.000 1.220 190 Y CA -0.869 57.265 58.100 0.058 0.000 1.513 190 Y CB 0.026 38.509 38.460 0.039 0.000 1.435 190 Y HN 0.537 nan 8.280 nan 0.000 0.489 191 T N -2.325 112.326 114.554 0.163 0.000 2.874 191 T HA 0.168 4.533 4.350 0.024 0.000 0.281 191 T C 0.995 175.791 174.700 0.160 0.000 0.994 191 T CA -0.669 61.534 62.100 0.171 0.000 1.015 191 T CB 1.089 70.035 68.868 0.131 0.000 1.028 191 T HN 0.651 nan 8.240 nan 0.000 0.523 192 E N 0.081 120.378 120.200 0.163 0.000 2.418 192 E HA -0.040 4.325 4.350 0.024 0.000 0.197 192 E C 1.033 177.701 176.600 0.113 0.000 1.026 192 E CA 0.686 57.164 56.400 0.129 0.000 0.862 192 E CB 0.134 29.907 29.700 0.121 0.000 0.799 192 E HN 0.734 nan 8.360 nan 0.000 0.518 193 E N 0.164 120.435 120.200 0.117 0.000 2.651 193 E HA 0.259 4.623 4.350 0.024 0.000 0.208 193 E C 0.135 176.786 176.600 0.086 0.000 0.997 193 E CA -0.235 56.225 56.400 0.101 0.000 1.020 193 E CB 1.287 31.050 29.700 0.105 0.000 1.052 193 E HN 0.175 nan 8.360 nan 0.000 0.465 194 G N 1.126 109.972 108.800 0.077 0.000 2.392 194 G HA2 -0.105 3.870 3.960 0.024 0.000 0.677 194 G HA3 -0.105 3.870 3.960 0.024 0.000 0.677 194 G C -0.948 173.965 174.900 0.021 0.000 1.334 194 G CA -1.125 43.997 45.100 0.038 0.000 0.961 194 G HN 0.020 nan 8.290 nan 0.000 0.616 195 I N 0.797 121.343 120.570 -0.040 0.000 2.533 195 I HA 0.329 4.514 4.170 0.024 0.000 0.284 195 I C 0.140 176.264 176.117 0.011 0.000 1.109 195 I CA 0.062 61.310 61.300 -0.087 0.000 1.412 195 I CB 0.571 38.449 38.000 -0.203 0.000 1.396 195 I HN 0.455 nan 8.210 nan 0.000 0.543 196 F N 7.040 126.882 119.950 -0.179 0.000 2.426 196 F HA 0.436 4.977 4.527 0.024 0.000 0.348 196 F C -0.462 175.292 175.800 -0.077 0.000 1.124 196 F CA -1.167 56.724 58.000 -0.182 0.000 1.008 196 F CB 0.743 39.481 39.000 -0.437 0.000 1.139 196 F HN 0.348 nan 8.300 nan 0.000 0.452 197 D N 6.990 127.182 120.400 -0.347 0.000 2.349 197 D HA 0.248 4.902 4.640 0.024 0.000 0.232 197 D C -0.688 175.116 176.300 -0.826 0.000 1.071 197 D CA 0.005 53.739 54.000 -0.443 0.000 0.832 197 D CB 2.249 42.994 40.800 -0.091 0.000 1.086 197 D HN 0.630 nan 8.370 nan 0.000 0.504 198 L N 3.171 123.851 121.223 -0.905 0.000 2.272 198 L HA 0.290 4.645 4.340 0.024 0.000 0.284 198 L C -0.969 175.670 176.870 -0.385 0.000 1.045 198 L CA -0.592 53.810 54.840 -0.729 0.000 0.842 198 L CB 0.698 42.340 42.059 -0.697 0.000 1.224 198 L HN 0.051 nan 8.230 nan 0.000 0.430 199 V N 5.544 125.272 119.914 -0.309 0.000 2.259 199 V HA 0.548 4.683 4.120 0.024 0.000 0.267 199 V C 0.718 176.708 176.094 -0.173 0.000 1.051 199 V CA -0.275 61.859 62.300 -0.278 0.000 0.830 199 V CB 0.613 32.230 31.823 -0.343 0.000 1.080 199 V HN 0.837 nan 8.190 nan 0.000 0.467 200 G N 3.400 112.117 108.800 -0.139 0.000 3.016 200 G HA2 0.686 4.660 3.960 0.024 0.000 0.270 200 G HA3 0.686 4.660 3.960 0.024 0.000 0.270 200 G C -0.998 173.925 174.900 0.038 0.000 1.352 200 G CA -0.598 44.474 45.100 -0.047 0.000 1.060 200 G HN 0.480 nan 8.290 nan 0.000 0.538 201 N N -0.996 117.772 118.700 0.115 0.000 2.629 201 N HA 0.244 4.999 4.740 0.024 0.000 0.279 201 N C 0.260 175.948 175.510 0.297 0.000 1.344 201 N CA -0.745 52.431 53.050 0.210 0.000 0.789 201 N CB 1.499 40.089 38.487 0.172 0.000 1.508 201 N HN 0.527 nan 8.380 nan 0.000 0.516 202 N N -1.255 117.638 118.700 0.322 0.000 2.314 202 N HA -0.011 4.743 4.740 0.024 0.000 0.200 202 N C -0.506 175.252 175.510 0.414 0.000 1.135 202 N CA -0.040 53.258 53.050 0.412 0.000 0.835 202 N CB -0.138 38.569 38.487 0.367 0.000 0.989 202 N HN 0.560 nan 8.380 nan 0.000 0.478 203 T N -3.565 111.038 114.554 0.082 0.000 2.906 203 T HA 0.467 4.831 4.350 0.024 0.000 0.295 203 T C -2.687 171.379 174.700 -1.056 0.000 1.075 203 T CA -1.586 60.093 62.100 -0.700 0.000 1.005 203 T CB 2.903 71.247 68.868 -0.873 0.000 1.136 203 T HN -0.225 nan 8.240 nan 0.000 0.498 204 P HA 0.244 nan 4.420 nan 0.000 0.257 204 P C 0.248 177.042 177.300 -0.843 0.000 1.281 204 P CA -0.038 62.192 63.100 -1.450 0.000 0.826 204 P CB -0.125 30.642 31.700 -1.555 0.000 1.237 205 I N -4.504 115.546 120.570 -0.867 0.000 3.354 205 I HA 0.563 4.748 4.170 0.024 0.000 0.316 205 I C -1.573 174.269 176.117 -0.458 0.000 1.182 205 I CA -1.887 59.048 61.300 -0.609 0.000 0.942 205 I CB 1.484 39.074 38.000 -0.683 0.000 1.299 205 I HN -0.230 nan 8.210 nan 0.000 0.473 206 F N 0.105 119.760 119.950 -0.493 0.000 2.631 206 F HA 0.526 5.068 4.527 0.024 0.000 0.328 206 F C 0.294 175.827 175.800 -0.444 0.000 1.067 206 F CA -0.762 56.975 58.000 -0.439 0.000 0.969 206 F CB 1.988 40.868 39.000 -0.200 0.000 1.332 206 F HN 0.385 nan 8.300 nan 0.000 0.490 207 F N 2.281 121.382 119.950 -1.414 0.000 2.234 207 F HA -0.007 4.534 4.527 0.024 0.000 0.299 207 F C 0.727 176.221 175.800 -0.511 0.000 1.087 207 F CA 1.008 58.408 58.000 -1.000 0.000 1.340 207 F CB -0.220 37.768 39.000 -1.687 0.000 1.031 207 F HN 0.152 nan 8.300 nan 0.000 0.500 208 I N -3.481 117.041 120.570 -0.081 0.000 3.002 208 I HA 0.373 4.558 4.170 0.024 0.000 0.310 208 I C 0.335 176.595 176.117 0.239 0.000 1.087 208 I CA -0.852 60.529 61.300 0.135 0.000 1.017 208 I CB 1.940 40.088 38.000 0.247 0.000 1.226 208 I HN -0.175 nan 8.210 nan 0.000 0.443 209 Q N 0.335 120.276 119.800 0.235 0.000 2.324 209 Q HA 0.146 4.501 4.340 0.024 0.000 0.207 209 Q C -0.265 175.910 176.000 0.290 0.000 0.928 209 Q CA 0.628 56.613 55.803 0.303 0.000 0.890 209 Q CB 0.494 29.483 28.738 0.417 0.000 1.001 209 Q HN 0.647 nan 8.270 nan 0.000 0.517 210 D N -1.004 119.537 120.400 0.236 0.000 2.375 210 D HA 0.303 4.957 4.640 0.024 0.000 0.247 210 D C 0.029 176.457 176.300 0.212 0.000 1.061 210 D CA -0.192 53.918 54.000 0.183 0.000 0.834 210 D CB 1.848 42.726 40.800 0.131 0.000 1.247 210 D HN 0.070 nan 8.370 nan 0.000 0.489 211 A N 3.461 126.378 122.820 0.161 0.000 2.024 211 A HA -0.248 4.087 4.320 0.024 0.000 0.220 211 A C 1.784 179.491 177.584 0.205 0.000 1.164 211 A CA 1.665 53.794 52.037 0.154 0.000 0.643 211 A CB -0.743 18.292 19.000 0.057 0.000 0.806 211 A HN 0.814 nan 8.150 nan 0.000 0.451 212 H N 0.027 119.160 119.070 0.105 0.000 2.457 212 H HA -0.013 4.557 4.556 0.024 0.000 0.297 212 H C 1.575 176.985 175.328 0.136 0.000 1.092 212 H CA 1.857 57.959 56.048 0.090 0.000 1.309 212 H CB 0.042 29.831 29.762 0.045 0.000 1.382 212 H HN 0.424 nan 8.280 nan 0.000 0.535 213 K N -0.657 119.868 120.400 0.208 0.000 2.444 213 K HA -0.039 4.296 4.320 0.024 0.000 0.193 213 K C 1.381 178.124 176.600 0.237 0.000 1.024 213 K CA 0.028 56.438 56.287 0.205 0.000 1.077 213 K CB 0.068 32.742 32.500 0.291 0.000 0.833 213 K HN 0.302 nan 8.250 nan 0.000 0.517 214 F N 2.823 122.833 119.950 0.099 0.000 2.134 214 F HA -0.122 4.419 4.527 0.023 0.000 0.299 214 F C -1.036 174.785 175.800 0.035 0.000 1.097 214 F CA 1.123 59.213 58.000 0.149 0.000 1.264 214 F CB -0.318 38.752 39.000 0.115 0.000 1.001 214 F HN 0.016 nan 8.300 nan 0.000 0.479 215 P HA -0.123 nan 4.420 nan 0.000 0.218 215 P C 0.960 177.949 177.300 -0.518 0.000 1.149 215 P CA 1.568 64.427 63.100 -0.401 0.000 0.817 215 P CB -0.027 31.457 31.700 -0.359 0.000 0.785 216 D N -1.314 118.931 120.400 -0.259 0.000 2.097 216 D HA -0.137 4.518 4.640 0.024 0.000 0.197 216 D C 1.800 177.831 176.300 -0.449 0.000 0.984 216 D CA 1.001 54.893 54.000 -0.181 0.000 0.826 216 D CB -0.815 40.058 40.800 0.121 0.000 0.973 216 D HN 0.141 nan 8.370 nan 0.000 0.460 217 F N 1.887 121.452 119.950 -0.641 0.000 2.069 217 F HA -0.240 4.301 4.527 0.024 0.000 0.298 217 F C 2.283 177.698 175.800 -0.642 0.000 1.113 217 F CA 1.235 58.663 58.000 -0.954 0.000 1.214 217 F CB -0.188 38.484 39.000 -0.546 0.000 0.978 217 F HN -0.248 nan 8.300 nan 0.000 0.474 218 V N 0.136 119.638 119.914 -0.688 0.000 2.407 218 V HA -0.329 3.805 4.120 0.024 0.000 0.248 218 V C 2.242 178.104 176.094 -0.387 0.000 1.055 218 V CA 2.374 64.286 62.300 -0.646 0.000 1.049 218 V CB -1.079 30.389 31.823 -0.592 0.000 0.662 218 V HN 0.474 nan 8.190 nan 0.000 0.455 219 H N -0.233 118.599 119.070 -0.396 0.000 2.422 219 H HA -0.133 4.438 4.556 0.024 0.000 0.298 219 H C 2.305 177.478 175.328 -0.258 0.000 1.098 219 H CA 1.034 56.931 56.048 -0.253 0.000 1.315 219 H CB 0.089 29.755 29.762 -0.160 0.000 1.382 219 H HN 0.493 nan 8.280 nan 0.000 0.523 220 A N 0.332 122.967 122.820 -0.308 0.000 1.929 220 A HA -0.084 4.250 4.320 0.024 0.000 0.216 220 A C 2.466 179.895 177.584 -0.258 0.000 1.176 220 A CA 1.182 53.041 52.037 -0.297 0.000 0.628 220 A CB -0.552 18.132 19.000 -0.528 0.000 0.816 220 A HN 0.299 nan 8.150 nan 0.000 0.444 221 V N -0.291 119.347 119.914 -0.460 0.000 2.788 221 V HA 0.020 4.155 4.120 0.024 0.000 0.251 221 V C 0.866 176.927 176.094 -0.055 0.000 1.068 221 V CA 0.740 62.849 62.300 -0.319 0.000 1.090 221 V CB -0.444 30.984 31.823 -0.659 0.000 0.710 221 V HN 0.318 nan 8.190 nan 0.000 0.467 222 K N 1.094 121.422 120.400 -0.120 0.000 2.187 222 K HA 0.219 4.553 4.320 0.024 0.000 0.247 222 K C -2.295 174.260 176.600 -0.075 0.000 1.019 222 K CA -1.578 54.655 56.287 -0.090 0.000 0.893 222 K CB -0.282 32.158 32.500 -0.100 0.000 1.025 222 K HN 0.173 nan 8.250 nan 0.000 0.500 223 P HA -0.008 nan 4.420 nan 0.000 0.266 223 P C -0.509 176.741 177.300 -0.084 0.000 1.195 223 P CA 0.356 63.330 63.100 -0.210 0.000 0.768 223 P CB 0.370 31.951 31.700 -0.198 0.000 0.838 224 E N 4.584 124.784 120.200 -0.001 0.000 2.398 224 E HA 0.012 4.376 4.350 0.024 0.000 0.263 224 E C -1.308 175.395 176.600 0.173 0.000 1.046 224 E CA -1.327 55.186 56.400 0.189 0.000 0.908 224 E CB 0.189 30.138 29.700 0.416 0.000 0.963 224 E HN 0.420 nan 8.360 nan 0.000 0.431 225 P HA -0.164 nan 4.420 nan 0.000 0.227 225 P C 0.924 178.318 177.300 0.158 0.000 1.161 225 P CA 1.186 64.345 63.100 0.099 0.000 0.788 225 P CB 0.102 31.821 31.700 0.032 0.000 0.822 226 H N -0.519 118.587 119.070 0.060 0.000 2.326 226 H HA -0.084 4.486 4.556 0.024 0.000 0.301 226 H C 1.473 176.899 175.328 0.163 0.000 1.081 226 H CA 1.460 57.532 56.048 0.039 0.000 1.334 226 H CB -1.391 28.326 29.762 -0.075 0.000 1.385 226 H HN 0.305 nan 8.280 nan 0.000 0.504 227 W N -0.034 120.915 121.300 -0.585 0.000 2.871 227 W HA 0.696 5.370 4.660 0.024 0.000 0.340 227 W C 0.473 176.828 176.519 -0.273 0.000 1.058 227 W CA -0.967 56.135 57.345 -0.405 0.000 1.633 227 W CB -0.695 28.478 29.460 -0.478 0.000 1.067 227 W HN 0.439 nan 8.180 nan 0.000 0.554 228 A N 1.303 124.112 122.820 -0.019 0.000 2.667 228 A HA -0.128 4.207 4.320 0.024 0.000 0.298 228 A C -0.442 176.915 177.584 -0.377 0.000 1.483 228 A CA 1.403 53.348 52.037 -0.154 0.000 0.738 228 A CB -2.415 16.518 19.000 -0.112 0.000 1.067 228 A HN 0.463 nan 8.150 nan 0.000 0.451 229 I N 0.423 120.623 120.570 -0.615 0.000 2.769 229 I HA 0.558 4.742 4.170 0.024 0.000 0.298 229 I C -2.490 173.310 176.117 -0.527 0.000 1.128 229 I CA -2.387 58.449 61.300 -0.773 0.000 1.031 229 I CB 3.001 40.031 38.000 -1.617 0.000 1.235 229 I HN 0.214 nan 8.210 nan 0.000 0.423 230 P HA 0.308 nan 4.420 nan 0.000 0.292 230 P C -1.569 175.565 177.300 -0.277 0.000 1.300 230 P CA -0.832 62.043 63.100 -0.375 0.000 0.900 230 P CB 1.583 33.138 31.700 -0.242 0.000 1.139 231 Q N 0.724 120.408 119.800 -0.194 0.000 2.286 231 Q HA 0.480 4.834 4.340 0.024 0.000 0.257 231 Q C 1.077 177.038 176.000 -0.065 0.000 0.941 231 Q CA 1.048 56.777 55.803 -0.123 0.000 0.912 231 Q CB -0.350 28.326 28.738 -0.103 0.000 1.192 231 Q HN 0.821 nan 8.270 nan 0.000 0.410 232 G N 3.282 112.054 108.800 -0.047 0.000 2.198 232 G HA2 -0.282 3.693 3.960 0.024 0.000 0.260 232 G HA3 -0.282 3.693 3.960 0.024 0.000 0.260 232 G C -0.424 174.490 174.900 0.023 0.000 1.025 232 G CA 0.484 45.583 45.100 -0.002 0.000 0.769 232 G HN 0.544 nan 8.290 nan 0.000 0.507 233 Q N -1.065 118.732 119.800 -0.004 0.000 2.315 233 Q HA 0.563 4.918 4.340 0.024 0.000 0.273 233 Q C 0.678 176.686 176.000 0.014 0.000 1.053 233 Q CA -0.157 55.670 55.803 0.041 0.000 0.817 233 Q CB 1.822 30.628 28.738 0.113 0.000 1.326 233 Q HN 0.464 nan 8.270 nan 0.000 0.423 234 S N -0.615 114.992 115.700 -0.156 0.000 2.556 234 S HA 0.228 4.713 4.470 0.024 0.000 0.216 234 S C 0.860 175.384 174.600 -0.126 0.000 0.970 234 S CA -0.045 57.833 58.200 -0.537 0.000 0.912 234 S CB 0.378 62.689 63.200 -1.482 0.000 0.790 234 S HN 0.599 nan 8.310 nan 0.000 0.504 235 A N 2.375 125.321 122.820 0.211 0.000 3.048 235 A HA 0.525 4.860 4.320 0.024 0.000 0.264 235 A C 0.121 177.940 177.584 0.392 0.000 1.796 235 A CA -0.533 51.715 52.037 0.351 0.000 1.445 235 A CB -1.259 17.879 19.000 0.230 0.000 1.074 235 A HN 0.899 nan 8.150 nan 0.000 0.621 236 H N -3.529 115.742 119.070 0.335 0.000 3.014 236 H HA 0.486 5.057 4.556 0.024 0.000 0.337 236 H C -0.247 175.285 175.328 0.341 0.000 1.320 236 H CA -0.721 55.486 56.048 0.265 0.000 1.128 236 H CB 0.217 30.092 29.762 0.189 0.000 1.862 236 H HN 0.070 nan 8.280 nan 0.000 0.536 237 D N 0.146 120.719 120.400 0.290 0.000 2.116 237 D HA -0.202 4.452 4.640 0.024 0.000 0.193 237 D C 2.105 178.470 176.300 0.108 0.000 0.998 237 D CA 3.141 57.247 54.000 0.177 0.000 0.836 237 D CB -0.355 40.526 40.800 0.134 0.000 0.951 237 D HN 0.779 nan 8.370 nan 0.000 0.449 238 T N -1.705 112.904 114.554 0.092 0.000 2.867 238 T HA -0.176 4.188 4.350 0.024 0.000 0.268 238 T C 1.889 176.529 174.700 -0.100 0.000 1.057 238 T CA 0.599 62.720 62.100 0.036 0.000 1.136 238 T CB -0.658 68.279 68.868 0.115 0.000 0.874 238 T HN 0.163 nan 8.240 nan 0.000 0.466 239 F N 0.787 120.436 119.950 -0.503 0.000 2.084 239 F HA 0.093 4.634 4.527 0.024 0.000 0.296 239 F C 1.847 177.395 175.800 -0.421 0.000 1.111 239 F CA 0.718 58.347 58.000 -0.619 0.000 1.224 239 F CB -0.592 37.840 39.000 -0.947 0.000 0.991 239 F HN 0.139 nan 8.300 nan 0.000 0.471 240 W N 0.693 121.924 121.300 -0.115 0.000 2.467 240 W HA -0.079 4.596 4.660 0.024 0.000 0.275 240 W C 2.276 178.715 176.519 -0.133 0.000 1.239 240 W CA 1.036 58.304 57.345 -0.128 0.000 1.266 240 W CB -0.632 28.846 29.460 0.030 0.000 1.112 240 W HN 0.094 nan 8.180 nan 0.000 0.576 241 D N -0.524 119.922 120.400 0.076 0.000 2.092 241 D HA -0.308 4.347 4.640 0.024 0.000 0.193 241 D C 1.890 178.195 176.300 0.009 0.000 0.994 241 D CA 1.602 55.624 54.000 0.037 0.000 0.828 241 D CB -0.536 40.293 40.800 0.048 0.000 0.963 241 D HN 0.191 nan 8.370 nan 0.000 0.450 242 Y N 0.389 120.580 120.300 -0.183 0.000 2.145 242 Y HA -0.199 4.365 4.550 0.025 0.000 0.286 242 Y C 2.294 178.058 175.900 -0.228 0.000 1.145 242 Y CA 1.527 59.507 58.100 -0.199 0.000 1.148 242 Y CB -0.467 37.839 38.460 -0.257 0.000 0.981 242 Y HN -0.105 nan 8.280 nan 0.000 0.507 243 V N 0.244 120.044 119.914 -0.191 0.000 2.282 243 V HA -0.386 3.748 4.120 0.024 0.000 0.249 243 V C 2.622 178.665 176.094 -0.085 0.000 1.057 243 V CA 2.374 64.550 62.300 -0.206 0.000 1.032 243 V CB -1.376 30.212 31.823 -0.391 0.000 0.645 243 V HN 0.676 nan 8.190 nan 0.000 0.447 244 S N -0.259 115.434 115.700 -0.012 0.000 2.419 244 S HA -0.100 4.385 4.470 0.024 0.000 0.233 244 S C 1.714 176.288 174.600 -0.044 0.000 1.016 244 S CA 1.571 59.787 58.200 0.025 0.000 0.974 244 S CB -0.473 62.766 63.200 0.064 0.000 0.786 244 S HN 0.566 nan 8.310 nan 0.000 0.492 245 L N -0.105 121.041 121.223 -0.128 0.000 2.616 245 L HA 0.320 4.674 4.340 0.024 0.000 0.229 245 L C 0.548 177.251 176.870 -0.279 0.000 1.110 245 L CA 0.123 54.859 54.840 -0.172 0.000 0.884 245 L CB 0.074 42.029 42.059 -0.174 0.000 1.115 245 L HN 0.253 nan 8.230 nan 0.000 0.481 246 Q N 0.475 120.068 119.800 -0.345 0.000 3.244 246 Q HA 0.229 4.583 4.340 0.024 0.000 0.249 246 Q C -1.957 173.823 176.000 -0.367 0.000 0.951 246 Q CA -1.384 54.166 55.803 -0.421 0.000 0.740 246 Q CB 1.525 29.896 28.738 -0.612 0.000 1.334 246 Q HN 0.018 nan 8.270 nan 0.000 0.448 247 P HA -0.210 nan 4.420 nan 0.000 0.225 247 P C 0.970 177.959 177.300 -0.519 0.000 1.148 247 P CA 1.025 63.884 63.100 -0.402 0.000 0.779 247 P CB 0.255 31.713 31.700 -0.403 0.000 0.780 248 E N 0.853 120.582 120.200 -0.785 0.000 2.273 248 E HA -0.193 4.171 4.350 0.024 0.000 0.198 248 E C 1.389 177.918 176.600 -0.118 0.000 1.002 248 E CA 1.894 58.074 56.400 -0.366 0.000 0.828 248 E CB -1.306 28.258 29.700 -0.228 0.000 0.747 248 E HN 0.295 nan 8.360 nan 0.000 0.491 249 T N -0.925 113.570 114.554 -0.099 0.000 3.085 249 T HA 0.053 4.418 4.350 0.024 0.000 0.263 249 T C 1.903 176.662 174.700 0.098 0.000 1.127 249 T CA 0.293 62.406 62.100 0.023 0.000 1.103 249 T CB -0.224 68.685 68.868 0.068 0.000 0.921 249 T HN 0.135 nan 8.240 nan 0.000 0.510 250 L N -0.005 121.280 121.223 0.103 0.000 2.141 250 L HA -0.026 4.328 4.340 0.024 0.000 0.209 250 L C 2.843 179.884 176.870 0.285 0.000 1.094 250 L CA 1.556 56.535 54.840 0.231 0.000 0.763 250 L CB -0.707 41.500 42.059 0.246 0.000 0.908 250 L HN 0.460 nan 8.230 nan 0.000 0.437 251 H N 0.070 119.190 119.070 0.083 0.000 2.290 251 H HA -0.227 4.343 4.556 0.024 0.000 0.298 251 H C 2.120 177.451 175.328 0.004 0.000 1.087 251 H CA 1.940 58.033 56.048 0.076 0.000 1.291 251 H CB 0.214 29.990 29.762 0.023 0.000 1.369 251 H HN 0.367 nan 8.280 nan 0.000 0.492 252 N N -0.199 118.316 118.700 -0.309 0.000 2.331 252 N HA -0.118 4.637 4.740 0.024 0.000 0.180 252 N C 1.926 177.247 175.510 -0.315 0.000 1.019 252 N CA 0.632 53.262 53.050 -0.700 0.000 0.881 252 N CB 0.303 37.893 38.487 -1.495 0.000 0.972 252 N HN 0.117 nan 8.380 nan 0.000 0.435 253 V N 1.654 121.621 119.914 0.087 0.000 2.343 253 V HA -0.253 3.881 4.120 0.024 0.000 0.247 253 V C 2.489 178.720 176.094 0.229 0.000 1.051 253 V CA 1.253 63.755 62.300 0.337 0.000 1.036 253 V CB -0.364 31.711 31.823 0.420 0.000 0.654 253 V HN 0.411 nan 8.190 nan 0.000 0.451 254 M N -1.587 118.184 119.600 0.285 0.000 2.108 254 M HA -0.216 4.279 4.480 0.024 0.000 0.261 254 M C 2.095 178.379 176.300 -0.027 0.000 1.066 254 M CA 1.910 57.373 55.300 0.272 0.000 1.107 254 M CB -1.204 31.591 32.600 0.325 0.000 1.356 254 M HN 0.473 nan 8.290 nan 0.000 0.406 255 W N 0.502 121.525 121.300 -0.462 0.000 2.358 255 W HA -0.088 4.587 4.660 0.024 0.000 0.303 255 W C 2.792 179.231 176.519 -0.133 0.000 1.208 255 W CA 1.786 58.825 57.345 -0.510 0.000 1.274 255 W CB -0.963 28.144 29.460 -0.589 0.000 1.138 255 W HN 0.283 nan 8.180 nan 0.000 0.515 256 A N -0.841 122.060 122.820 0.136 0.000 1.968 256 A HA -0.135 4.199 4.320 0.024 0.000 0.217 256 A C 1.908 179.543 177.584 0.086 0.000 1.169 256 A CA 1.375 53.500 52.037 0.146 0.000 0.638 256 A CB -0.531 18.594 19.000 0.210 0.000 0.812 256 A HN 0.072 nan 8.150 nan 0.000 0.446 257 M N 0.809 120.413 119.600 0.007 0.000 2.492 257 M HA 0.015 4.509 4.480 0.024 0.000 0.262 257 M C 1.381 177.726 176.300 0.075 0.000 1.090 257 M CA 0.706 55.952 55.300 -0.091 0.000 1.110 257 M CB -1.367 30.912 32.600 -0.535 0.000 1.407 257 M HN 0.536 nan 8.290 nan 0.000 0.470 258 S N -0.036 115.767 115.700 0.173 0.000 2.655 258 S HA 0.138 4.623 4.470 0.024 0.000 0.265 258 S C 0.726 175.465 174.600 0.231 0.000 1.240 258 S CA -0.575 57.774 58.200 0.249 0.000 0.986 258 S CB 1.023 64.424 63.200 0.335 0.000 0.985 258 S HN 0.172 nan 8.310 nan 0.000 0.562 259 D N 0.230 120.787 120.400 0.261 0.000 2.378 259 D HA -0.001 4.654 4.640 0.024 0.000 0.222 259 D C 1.852 178.305 176.300 0.255 0.000 0.980 259 D CA 0.364 54.538 54.000 0.289 0.000 0.907 259 D CB -0.166 40.870 40.800 0.393 0.000 0.899 259 D HN 0.379 nan 8.370 nan 0.000 0.527 260 R N 0.290 120.933 120.500 0.240 0.000 2.127 260 R HA -0.077 4.277 4.340 0.024 0.000 0.238 260 R C 2.114 178.577 176.300 0.272 0.000 1.134 260 R CA 1.071 57.337 56.100 0.276 0.000 0.975 260 R CB -0.912 29.612 30.300 0.373 0.000 0.865 260 R HN 0.207 nan 8.270 nan 0.000 0.447 261 G N 1.243 110.191 108.800 0.246 0.000 2.598 261 G HA2 -0.051 3.923 3.960 0.024 0.000 0.215 261 G HA3 -0.051 3.923 3.960 0.024 0.000 0.215 261 G C 1.053 176.100 174.900 0.245 0.000 1.131 261 G CA 0.188 45.425 45.100 0.227 0.000 0.785 261 G HN 0.436 nan 8.290 nan 0.000 0.539 262 I N -2.047 118.679 120.570 0.260 0.000 2.956 262 I HA 0.360 4.544 4.170 0.024 0.000 0.311 262 I C -2.805 173.472 176.117 0.268 0.000 1.436 262 I CA -2.632 58.828 61.300 0.267 0.000 0.872 262 I CB 1.654 39.818 38.000 0.273 0.000 2.099 262 I HN -0.266 nan 8.210 nan 0.000 0.624 263 P HA 0.032 nan 4.420 nan 0.000 0.267 263 P C 0.582 178.031 177.300 0.249 0.000 1.200 263 P CA -0.089 63.125 63.100 0.191 0.000 0.772 263 P CB 1.148 32.893 31.700 0.075 0.000 0.855 264 R N 2.009 122.636 120.500 0.213 0.000 2.120 264 R HA -0.008 4.346 4.340 0.024 0.000 0.234 264 R C 0.405 176.850 176.300 0.241 0.000 1.123 264 R CA 1.445 57.716 56.100 0.284 0.000 0.975 264 R CB -0.399 30.032 30.300 0.219 0.000 0.866 264 R HN 0.560 nan 8.270 nan 0.000 0.446 265 S N -2.895 112.737 115.700 -0.114 0.000 2.565 265 S HA 0.191 4.676 4.470 0.024 0.000 0.274 265 S C -0.372 173.908 174.600 -0.532 0.000 1.144 265 S CA -0.854 57.101 58.200 -0.408 0.000 0.849 265 S CB 0.005 63.107 63.200 -0.162 0.000 1.103 265 S HN 0.098 nan 8.310 nan 0.000 0.455 266 Y N 2.371 122.280 120.300 -0.651 0.000 2.403 266 Y HA 0.041 4.606 4.550 0.024 0.000 0.291 266 Y C 2.361 177.887 175.900 -0.623 0.000 1.143 266 Y CA 1.163 58.750 58.100 -0.856 0.000 1.257 266 Y CB -0.337 37.172 38.460 -1.585 0.000 0.984 266 Y HN 0.572 nan 8.280 nan 0.000 0.550 267 R N -0.542 119.813 120.500 -0.242 0.000 2.237 267 R HA -0.049 4.305 4.340 0.024 0.000 0.219 267 R C 1.118 177.376 176.300 -0.070 0.000 1.080 267 R CA 1.523 57.543 56.100 -0.133 0.000 0.995 267 R CB -0.396 29.820 30.300 -0.140 0.000 0.875 267 R HN 0.345 nan 8.270 nan 0.000 0.462 268 T N -1.952 112.578 114.554 -0.041 0.000 3.308 268 T HA 0.339 4.703 4.350 0.024 0.000 0.270 268 T C 0.191 174.933 174.700 0.070 0.000 0.992 268 T CA -0.679 61.428 62.100 0.012 0.000 0.931 268 T CB -0.061 68.799 68.868 -0.013 0.000 1.142 268 T HN 0.068 nan 8.240 nan 0.000 0.525 269 M N -1.096 118.585 119.600 0.135 0.000 2.644 269 M HA 0.731 5.226 4.480 0.024 0.000 0.304 269 M C -1.020 175.464 176.300 0.305 0.000 1.215 269 M CA -0.879 54.546 55.300 0.208 0.000 0.871 269 M CB 2.139 34.861 32.600 0.204 0.000 1.740 269 M HN -0.151 nan 8.290 nan 0.000 0.464 270 E N 0.438 120.816 120.200 0.296 0.000 2.345 270 E HA 0.620 4.984 4.350 0.024 0.000 0.259 270 E C -0.283 176.399 176.600 0.136 0.000 1.117 270 E CA -0.420 56.090 56.400 0.184 0.000 0.913 270 E CB 1.629 31.379 29.700 0.083 0.000 1.057 270 E HN 0.857 nan 8.360 nan 0.000 0.432 271 G N 0.798 109.514 108.800 -0.140 0.000 2.481 271 G HA2 0.639 4.614 3.960 0.024 0.000 0.315 271 G HA3 0.639 4.614 3.960 0.024 0.000 0.315 271 G C -1.436 173.044 174.900 -0.701 0.000 1.231 271 G CA -0.458 44.535 45.100 -0.179 0.000 0.968 271 G HN 0.301 nan 8.290 nan 0.000 0.482 272 F N -0.663 119.222 119.950 -0.108 0.000 2.619 272 F HA 0.502 5.043 4.527 0.024 0.000 0.308 272 F C 1.004 176.701 175.800 -0.173 0.000 1.097 272 F CA -0.611 57.243 58.000 -0.243 0.000 0.953 272 F CB 2.589 41.402 39.000 -0.312 0.000 1.287 272 F HN 0.603 nan 8.300 nan 0.000 0.446 273 G N -0.541 108.304 108.800 0.075 0.000 2.985 273 G HA2 0.213 4.188 3.960 0.024 0.000 0.209 273 G HA3 0.213 4.188 3.960 0.024 0.000 0.209 273 G C 0.667 175.641 174.900 0.123 0.000 1.165 273 G CA 0.662 45.858 45.100 0.159 0.000 0.776 273 G HN 0.984 nan 8.290 nan 0.000 0.541 274 C N -1.325 117.942 119.300 -0.055 0.000 5.886 274 C HA -0.155 4.319 4.460 0.024 0.000 0.327 274 C C 0.756 175.487 174.990 -0.431 0.000 2.427 274 C CA 0.707 59.526 59.018 -0.331 0.000 2.191 274 C CB -1.838 25.573 27.740 -0.547 0.000 3.230 274 C HN 0.589 nan 8.230 nan 0.000 0.265 275 H N 0.310 119.420 119.070 0.066 0.000 2.616 275 H HA 0.465 5.035 4.556 0.024 0.000 0.353 275 H C -0.051 175.257 175.328 -0.033 0.000 1.170 275 H CA 0.138 56.145 56.048 -0.070 0.000 1.212 275 H CB 0.786 30.357 29.762 -0.318 0.000 1.653 275 H HN 0.336 nan 8.280 nan 0.000 0.537 276 T N 2.980 117.537 114.554 0.005 0.000 2.853 276 T HA 0.174 4.538 4.350 0.024 0.000 0.298 276 T C 0.180 174.841 174.700 -0.065 0.000 0.978 276 T CA 0.383 62.469 62.100 -0.023 0.000 1.152 276 T CB -0.305 68.498 68.868 -0.108 0.000 0.914 276 T HN 0.218 nan 8.240 nan 0.000 0.539 277 F N 1.098 121.006 119.950 -0.070 0.000 2.697 277 F HA 0.655 5.196 4.527 0.024 0.000 0.386 277 F C 0.989 176.746 175.800 -0.073 0.000 1.154 277 F CA -1.378 56.606 58.000 -0.027 0.000 1.108 277 F CB 1.465 40.434 39.000 -0.053 0.000 1.429 277 F HN 0.206 nan 8.300 nan 0.000 0.509 278 R N 0.566 121.124 120.500 0.096 0.000 2.740 278 R HA 0.654 5.009 4.340 0.024 0.000 0.282 278 R C -1.582 174.604 176.300 -0.191 0.000 0.969 278 R CA -0.844 55.173 56.100 -0.138 0.000 0.918 278 R CB 1.943 32.092 30.300 -0.252 0.000 1.175 278 R HN 0.420 nan 8.270 nan 0.000 0.464 279 L N 3.213 124.276 121.223 -0.266 0.000 2.334 279 L HA 0.556 4.911 4.340 0.024 0.000 0.275 279 L C -0.458 176.256 176.870 -0.260 0.000 1.036 279 L CA -0.978 53.715 54.840 -0.245 0.000 0.807 279 L CB 1.286 43.209 42.059 -0.227 0.000 1.231 279 L HN 0.358 nan 8.230 nan 0.000 0.438 280 I N 2.373 122.815 120.570 -0.215 0.000 2.447 280 I HA 0.274 4.458 4.170 0.024 0.000 0.287 280 I C -0.348 175.682 176.117 -0.145 0.000 1.023 280 I CA -0.692 60.485 61.300 -0.205 0.000 1.083 280 I CB 1.463 39.349 38.000 -0.189 0.000 1.245 280 I HN 0.642 nan 8.210 nan 0.000 0.434 281 N N 4.861 123.489 118.700 -0.120 0.000 2.538 281 N HA 0.398 5.152 4.740 0.024 0.000 0.292 281 N C 0.823 176.293 175.510 -0.067 0.000 1.262 281 N CA -0.324 52.675 53.050 -0.085 0.000 0.976 281 N CB 0.634 39.079 38.487 -0.070 0.000 1.161 281 N HN 0.512 nan 8.380 nan 0.000 0.598 282 A N -0.605 122.185 122.820 -0.051 0.000 2.019 282 A HA -0.103 4.231 4.320 0.024 0.000 0.219 282 A C 1.412 178.976 177.584 -0.033 0.000 1.164 282 A CA 1.297 53.309 52.037 -0.040 0.000 0.644 282 A CB -0.696 18.287 19.000 -0.030 0.000 0.805 282 A HN 0.726 nan 8.150 nan 0.000 0.449 283 E N -1.393 118.788 120.200 -0.032 0.000 2.502 283 E HA 0.280 4.644 4.350 0.024 0.000 0.194 283 E C 1.249 177.839 176.600 -0.017 0.000 1.062 283 E CA 0.741 57.128 56.400 -0.022 0.000 0.867 283 E CB -0.136 29.552 29.700 -0.021 0.000 0.888 283 E HN 0.734 nan 8.360 nan 0.000 0.510 284 G N 1.088 109.874 108.800 -0.022 0.000 2.157 284 G HA2 -0.351 3.623 3.960 0.024 0.000 0.239 284 G HA3 -0.351 3.623 3.960 0.024 0.000 0.239 284 G C 0.286 175.203 174.900 0.027 0.000 0.982 284 G CA 0.254 45.358 45.100 0.008 0.000 0.650 284 G HN 0.270 nan 8.290 nan 0.000 0.527 285 K N 0.847 121.226 120.400 -0.035 0.000 2.322 285 K HA 0.649 4.983 4.320 0.024 0.000 0.283 285 K C 0.631 177.101 176.600 -0.217 0.000 1.042 285 K CA 0.212 56.453 56.287 -0.078 0.000 0.958 285 K CB 0.524 32.980 32.500 -0.074 0.000 0.984 285 K HN 0.576 nan 8.250 nan 0.000 0.473 286 A N 3.503 126.080 122.820 -0.405 0.000 2.290 286 A HA 0.389 4.724 4.320 0.024 0.000 0.310 286 A C -0.719 176.547 177.584 -0.530 0.000 1.202 286 A CA -0.476 51.156 52.037 -0.675 0.000 0.837 286 A CB 1.001 19.169 19.000 -1.387 0.000 1.139 286 A HN 0.726 nan 8.150 nan 0.000 0.509 287 T N 2.554 116.834 114.554 -0.456 0.000 2.824 287 T HA 0.530 4.894 4.350 0.024 0.000 0.282 287 T C -0.580 173.897 174.700 -0.371 0.000 0.993 287 T CA -0.079 61.809 62.100 -0.354 0.000 0.967 287 T CB 0.416 69.173 68.868 -0.186 0.000 0.960 287 T HN 0.342 nan 8.240 nan 0.000 0.441 288 F N 2.084 121.940 119.950 -0.158 0.000 2.471 288 F HA 0.509 5.050 4.527 0.024 0.000 0.353 288 F C 0.574 176.257 175.800 -0.196 0.000 1.113 288 F CA -0.411 57.491 58.000 -0.163 0.000 1.262 288 F CB 0.693 39.616 39.000 -0.127 0.000 1.146 288 F HN 0.197 nan 8.300 nan 0.000 0.578 289 V N 4.776 124.650 119.914 -0.067 0.000 2.808 289 V HA 0.572 4.707 4.120 0.024 0.000 0.308 289 V C -0.934 174.928 176.094 -0.386 0.000 1.099 289 V CA -0.750 61.357 62.300 -0.322 0.000 0.920 289 V CB 1.913 33.331 31.823 -0.675 0.000 1.014 289 V HN 0.761 nan 8.190 nan 0.000 0.425 290 R N 4.860 125.191 120.500 -0.281 0.000 2.589 290 R HA 0.572 4.926 4.340 0.024 0.000 0.293 290 R C -1.558 174.629 176.300 -0.189 0.000 0.963 290 R CA -0.463 55.491 56.100 -0.243 0.000 0.905 290 R CB 2.000 32.292 30.300 -0.014 0.000 1.144 290 R HN 0.593 nan 8.270 nan 0.000 0.459 291 F N 1.809 121.779 119.950 0.034 0.000 2.399 291 F HA 0.364 4.906 4.527 0.024 0.000 0.334 291 F C 0.922 176.637 175.800 -0.142 0.000 1.097 291 F CA -0.178 57.809 58.000 -0.022 0.000 1.076 291 F CB 0.944 39.816 39.000 -0.212 0.000 1.162 291 F HN 0.192 nan 8.300 nan 0.000 0.495 292 H N 1.002 120.074 119.070 0.002 0.000 2.717 292 H HA 0.241 4.812 4.556 0.024 0.000 0.366 292 H C -1.547 173.566 175.328 -0.359 0.000 1.132 292 H CA -0.967 54.976 56.048 -0.176 0.000 1.180 292 H CB 1.900 31.647 29.762 -0.025 0.000 1.678 292 H HN 0.678 nan 8.280 nan 0.000 0.537 293 W N 2.461 123.634 121.300 -0.212 0.000 2.532 293 W HA 0.321 4.995 4.660 0.024 0.000 0.321 293 W C 0.004 176.546 176.519 0.037 0.000 1.037 293 W CA -0.781 56.509 57.345 -0.092 0.000 1.220 293 W CB 1.684 30.933 29.460 -0.351 0.000 1.361 293 W HN 0.295 nan 8.180 nan 0.000 0.468 294 K N 5.624 126.285 120.400 0.435 0.000 2.211 294 K HA 0.391 4.726 4.320 0.024 0.000 0.275 294 K C -2.391 174.439 176.600 0.384 0.000 1.024 294 K CA -1.792 54.694 56.287 0.333 0.000 0.887 294 K CB 1.317 33.967 32.500 0.250 0.000 1.084 294 K HN 0.048 nan 8.250 nan 0.000 0.463 295 P HA 0.092 nan 4.420 nan 0.000 0.287 295 P C 0.248 177.561 177.300 0.020 0.000 1.294 295 P CA -0.221 62.957 63.100 0.129 0.000 0.776 295 P CB 0.915 32.706 31.700 0.152 0.000 0.889 296 L N 2.562 123.741 121.223 -0.074 0.000 2.465 296 L HA -0.040 4.314 4.340 0.024 0.000 0.224 296 L C 2.108 178.960 176.870 -0.029 0.000 1.145 296 L CA 0.928 55.758 54.840 -0.015 0.000 0.834 296 L CB -0.526 41.531 42.059 -0.002 0.000 0.944 296 L HN 0.355 nan 8.230 nan 0.000 0.451 297 A N 0.011 122.786 122.820 -0.074 0.000 2.251 297 A HA 0.425 4.760 4.320 0.024 0.000 0.209 297 A C 1.229 178.812 177.584 -0.003 0.000 1.187 297 A CA 0.645 52.654 52.037 -0.046 0.000 0.823 297 A CB -0.327 18.625 19.000 -0.080 0.000 0.846 297 A HN 0.445 nan 8.150 nan 0.000 0.486 298 G N -0.698 108.115 108.800 0.022 0.000 2.712 298 G HA2 -0.107 3.867 3.960 0.024 0.000 0.683 298 G HA3 -0.107 3.867 3.960 0.024 0.000 0.683 298 G C -0.700 174.233 174.900 0.055 0.000 1.320 298 G CA -0.485 44.647 45.100 0.053 0.000 0.847 298 G HN 0.439 nan 8.290 nan 0.000 0.553 299 K N 0.093 120.532 120.400 0.065 0.000 2.185 299 K HA 0.754 5.089 4.320 0.024 0.000 0.269 299 K C 0.164 176.768 176.600 0.007 0.000 0.987 299 K CA 0.135 56.448 56.287 0.043 0.000 0.865 299 K CB 1.876 34.390 32.500 0.022 0.000 1.090 299 K HN 1.456 nan 8.250 nan 0.000 0.450 300 A N 1.671 124.481 122.820 -0.016 0.000 2.566 300 A HA 0.634 4.968 4.320 0.024 0.000 0.297 300 A C -1.165 176.457 177.584 0.062 0.000 1.059 300 A CA -0.660 51.317 52.037 -0.101 0.000 0.691 300 A CB 1.750 20.489 19.000 -0.434 0.000 1.282 300 A HN 0.512 nan 8.150 nan 0.000 0.401 301 S N 0.385 116.275 115.700 0.317 0.000 2.632 301 S HA 0.755 5.240 4.470 0.024 0.000 0.289 301 S C -0.216 174.711 174.600 0.544 0.000 1.115 301 S CA -0.591 57.847 58.200 0.396 0.000 0.889 301 S CB 1.227 64.650 63.200 0.371 0.000 1.116 301 S HN 0.651 nan 8.310 nan 0.000 0.486 302 L N 1.335 122.771 121.223 0.355 0.000 2.490 302 L HA 0.581 4.935 4.340 0.024 0.000 0.245 302 L C 0.047 177.048 176.870 0.217 0.000 1.185 302 L CA -0.792 54.182 54.840 0.224 0.000 0.813 302 L CB 0.266 42.365 42.059 0.067 0.000 1.233 302 L HN 0.502 nan 8.230 nan 0.000 0.489 303 V N -3.084 116.852 119.914 0.037 0.000 2.850 303 V HA 0.197 4.331 4.120 0.024 0.000 0.315 303 V C 0.644 176.685 176.094 -0.087 0.000 1.064 303 V CA -0.775 61.516 62.300 -0.016 0.000 0.979 303 V CB 1.643 33.426 31.823 -0.067 0.000 1.039 303 V HN 0.947 nan 8.190 nan 0.000 0.452 304 W N 1.676 122.847 121.300 -0.215 0.000 2.335 304 W HA -0.202 4.472 4.660 0.024 0.000 0.311 304 W C 1.791 178.155 176.519 -0.259 0.000 1.213 304 W CA 2.481 59.694 57.345 -0.220 0.000 1.274 304 W CB -0.100 29.216 29.460 -0.239 0.000 1.148 304 W HN 0.993 nan 8.180 nan 0.000 0.498 305 D N 0.281 120.393 120.400 -0.480 0.000 2.149 305 D HA -0.285 4.370 4.640 0.024 0.000 0.198 305 D C 2.123 178.061 176.300 -0.604 0.000 0.990 305 D CA 2.036 55.713 54.000 -0.538 0.000 0.839 305 D CB -0.428 40.318 40.800 -0.091 0.000 0.948 305 D HN 0.390 nan 8.370 nan 0.000 0.460 306 E N -0.460 119.262 120.200 -0.797 0.000 2.046 306 E HA -0.154 4.210 4.350 0.024 0.000 0.190 306 E C 2.039 178.278 176.600 -0.602 0.000 0.982 306 E CA 0.910 56.756 56.400 -0.924 0.000 0.800 306 E CB -0.202 28.818 29.700 -1.133 0.000 0.756 306 E HN 0.291 nan 8.360 nan 0.000 0.449 307 A N 1.250 123.743 122.820 -0.544 0.000 1.908 307 A HA -0.264 4.070 4.320 0.024 0.000 0.218 307 A C 2.177 179.423 177.584 -0.562 0.000 1.181 307 A CA 1.843 53.614 52.037 -0.444 0.000 0.627 307 A CB -0.682 18.174 19.000 -0.240 0.000 0.818 307 A HN 0.442 nan 8.150 nan 0.000 0.445 308 Q N -0.596 118.650 119.800 -0.924 0.000 2.079 308 Q HA -0.163 4.191 4.340 0.024 0.000 0.200 308 Q C 2.175 177.884 176.000 -0.485 0.000 0.974 308 Q CA 1.711 56.983 55.803 -0.886 0.000 0.840 308 Q CB -0.142 27.776 28.738 -1.367 0.000 0.898 308 Q HN 0.662 nan 8.270 nan 0.000 0.430 309 K N 0.053 120.185 120.400 -0.447 0.000 2.097 309 K HA -0.153 4.181 4.320 0.024 0.000 0.205 309 K C 2.069 178.521 176.600 -0.246 0.000 1.050 309 K CA 0.813 56.937 56.287 -0.273 0.000 0.938 309 K CB -0.053 32.331 32.500 -0.193 0.000 0.718 309 K HN 0.179 nan 8.250 nan 0.000 0.442 310 L N 1.296 122.330 121.223 -0.314 0.000 2.141 310 L HA -0.126 4.229 4.340 0.024 0.000 0.209 310 L C 2.157 178.888 176.870 -0.230 0.000 1.094 310 L CA 2.146 56.800 54.840 -0.310 0.000 0.763 310 L CB -0.893 40.889 42.059 -0.460 0.000 0.908 310 L HN 0.310 nan 8.230 nan 0.000 0.437 311 T N -4.068 110.355 114.554 -0.219 0.000 2.849 311 T HA -0.090 4.275 4.350 0.024 0.000 0.270 311 T C 1.853 176.490 174.700 -0.106 0.000 1.066 311 T CA 1.043 63.059 62.100 -0.140 0.000 1.130 311 T CB -1.060 67.740 68.868 -0.114 0.000 0.864 311 T HN 0.397 nan 8.240 nan 0.000 0.481 312 G N 1.151 109.880 108.800 -0.118 0.000 2.408 312 G HA2 -0.008 3.966 3.960 0.024 0.000 0.213 312 G HA3 -0.008 3.966 3.960 0.024 0.000 0.213 312 G C 1.915 176.772 174.900 -0.073 0.000 1.177 312 G CA -0.230 44.819 45.100 -0.085 0.000 0.802 312 G HN 0.323 nan 8.290 nan 0.000 0.533 313 R N 0.228 120.675 120.500 -0.089 0.000 2.115 313 R HA 0.044 4.398 4.340 0.024 0.000 0.226 313 R C -0.117 176.156 176.300 -0.045 0.000 1.100 313 R CA 0.808 56.869 56.100 -0.065 0.000 0.980 313 R CB -0.120 30.132 30.300 -0.079 0.000 0.875 313 R HN 0.328 nan 8.270 nan 0.000 0.445 314 D N -0.356 120.011 120.400 -0.056 0.000 2.527 314 D HA 0.127 4.781 4.640 0.024 0.000 0.242 314 D C -2.100 174.202 176.300 0.003 0.000 1.285 314 D CA -1.725 52.277 54.000 0.003 0.000 0.886 314 D CB 1.233 42.084 40.800 0.084 0.000 1.402 314 D HN -0.123 nan 8.370 nan 0.000 0.528 315 P HA -0.011 nan 4.420 nan 0.000 0.231 315 P C 0.027 177.335 177.300 0.013 0.000 1.158 315 P CA 0.588 63.678 63.100 -0.016 0.000 0.763 315 P CB 0.487 32.175 31.700 -0.021 0.000 0.805 316 D N -1.306 119.113 120.400 0.033 0.000 2.427 316 D HA 0.069 4.723 4.640 0.024 0.000 0.224 316 D C 1.176 177.515 176.300 0.065 0.000 1.157 316 D CA -0.418 53.606 54.000 0.041 0.000 0.828 316 D CB -0.558 40.245 40.800 0.005 0.000 0.974 316 D HN 0.148 nan 8.370 nan 0.000 0.498 317 F N 1.076 120.966 119.950 -0.100 0.000 2.134 317 F HA -0.205 4.337 4.527 0.024 0.000 0.299 317 F C 2.020 177.789 175.800 -0.052 0.000 1.097 317 F CA 1.803 59.738 58.000 -0.107 0.000 1.264 317 F CB 0.098 38.980 39.000 -0.197 0.000 1.001 317 F HN 0.096 nan 8.300 nan 0.000 0.479 318 H N -1.176 117.801 119.070 -0.154 0.000 2.403 318 H HA -0.040 4.530 4.556 0.024 0.000 0.298 318 H C 2.367 177.573 175.328 -0.203 0.000 1.059 318 H CA 0.753 56.553 56.048 -0.413 0.000 1.363 318 H CB -0.088 29.252 29.762 -0.703 0.000 1.410 318 H HN 0.159 nan 8.280 nan 0.000 0.528 319 R N 1.309 121.898 120.500 0.148 0.000 2.083 319 R HA -0.165 4.189 4.340 0.024 0.000 0.237 319 R C 2.434 178.839 176.300 0.174 0.000 1.137 319 R CA 1.536 57.779 56.100 0.239 0.000 0.951 319 R CB -0.056 30.374 30.300 0.218 0.000 0.851 319 R HN 0.210 nan 8.270 nan 0.000 0.434 320 R N 0.328 120.852 120.500 0.039 0.000 2.070 320 R HA -0.152 4.202 4.340 0.024 0.000 0.233 320 R C 2.211 178.507 176.300 -0.007 0.000 1.137 320 R CA 1.747 57.851 56.100 0.008 0.000 0.945 320 R CB -0.298 29.968 30.300 -0.057 0.000 0.845 320 R HN 0.263 nan 8.270 nan 0.000 0.430 321 E N 0.660 120.739 120.200 -0.203 0.000 2.085 321 E HA -0.217 4.147 4.350 0.024 0.000 0.194 321 E C 2.020 178.582 176.600 -0.063 0.000 0.994 321 E CA 1.269 57.523 56.400 -0.244 0.000 0.801 321 E CB -0.107 29.267 29.700 -0.543 0.000 0.743 321 E HN 0.267 nan 8.360 nan 0.000 0.453 322 L N 0.723 121.953 121.223 0.010 0.000 2.017 322 L HA -0.150 4.204 4.340 0.024 0.000 0.208 322 L C 2.237 179.201 176.870 0.157 0.000 1.073 322 L CA 1.827 56.725 54.840 0.095 0.000 0.745 322 L CB -0.881 41.299 42.059 0.202 0.000 0.894 322 L HN 0.309 nan 8.230 nan 0.000 0.432 323 W N 0.933 122.267 121.300 0.056 0.000 2.355 323 W HA -0.202 4.472 4.660 0.024 0.000 0.309 323 W C 2.171 178.722 176.519 0.053 0.000 1.206 323 W CA 2.151 59.543 57.345 0.078 0.000 1.284 323 W CB -0.096 29.412 29.460 0.080 0.000 1.145 323 W HN 0.355 nan 8.180 nan 0.000 0.502 324 E N -0.051 120.323 120.200 0.289 0.000 2.208 324 E HA -0.103 4.262 4.350 0.024 0.000 0.193 324 E C 2.331 178.961 176.600 0.050 0.000 0.988 324 E CA 0.895 57.388 56.400 0.154 0.000 0.828 324 E CB -0.297 29.447 29.700 0.074 0.000 0.763 324 E HN 0.177 nan 8.360 nan 0.000 0.478 325 A N 1.446 124.293 122.820 0.045 0.000 1.877 325 A HA -0.165 4.170 4.320 0.024 0.000 0.216 325 A C 2.173 179.793 177.584 0.059 0.000 1.186 325 A CA 1.028 53.088 52.037 0.039 0.000 0.620 325 A CB -0.542 18.480 19.000 0.037 0.000 0.822 325 A HN 0.123 nan 8.150 nan 0.000 0.443 326 I N -0.344 120.276 120.570 0.085 0.000 2.286 326 I HA -0.240 3.945 4.170 0.024 0.000 0.248 326 I C 2.392 178.591 176.117 0.136 0.000 1.115 326 I CA 1.414 62.815 61.300 0.167 0.000 1.392 326 I CB -0.424 37.598 38.000 0.037 0.000 1.065 326 I HN 0.422 nan 8.210 nan 0.000 0.418 327 E N 0.849 121.074 120.200 0.042 0.000 2.204 327 E HA -0.159 4.205 4.350 0.024 0.000 0.194 327 E C 2.118 178.744 176.600 0.044 0.000 0.989 327 E CA 1.134 57.572 56.400 0.063 0.000 0.824 327 E CB -0.067 29.698 29.700 0.109 0.000 0.756 327 E HN 0.506 nan 8.360 nan 0.000 0.477 328 A N 0.173 122.995 122.820 0.005 0.000 2.208 328 A HA 0.226 4.560 4.320 0.024 0.000 0.209 328 A C 1.790 179.314 177.584 -0.100 0.000 1.161 328 A CA 0.876 52.896 52.037 -0.029 0.000 0.782 328 A CB -0.149 18.823 19.000 -0.047 0.000 0.816 328 A HN 0.322 nan 8.150 nan 0.000 0.477 329 G N -0.264 108.396 108.800 -0.232 0.000 2.162 329 G HA2 -0.223 3.751 3.960 0.024 0.000 0.260 329 G HA3 -0.223 3.751 3.960 0.024 0.000 0.260 329 G C -0.191 174.234 174.900 -0.791 0.000 0.976 329 G CA 0.285 44.920 45.100 -0.775 0.000 0.655 329 G HN 0.475 nan 8.290 nan 0.000 0.533 330 D N 0.957 121.160 120.400 -0.330 0.000 2.801 330 D HA 0.264 4.918 4.640 0.024 0.000 0.232 330 D C 0.820 177.071 176.300 -0.082 0.000 1.128 330 D CA -0.062 53.830 54.000 -0.179 0.000 1.003 330 D CB -0.703 40.090 40.800 -0.011 0.000 1.110 330 D HN 0.437 nan 8.370 nan 0.000 0.477 331 F N 1.403 121.357 119.950 0.007 0.000 2.608 331 F HA 0.083 4.625 4.527 0.024 0.000 0.380 331 F C -1.348 174.425 175.800 -0.045 0.000 1.083 331 F CA -1.946 56.050 58.000 -0.007 0.000 1.266 331 F CB 0.040 39.047 39.000 0.013 0.000 1.076 331 F HN -0.077 nan 8.300 nan 0.000 0.574 332 P HA 0.040 nan 4.420 nan 0.000 0.263 332 P C -1.107 176.141 177.300 -0.086 0.000 1.195 332 P CA 0.345 63.432 63.100 -0.023 0.000 0.762 332 P CB 0.490 32.257 31.700 0.112 0.000 0.799 333 E N 2.174 122.182 120.200 -0.320 0.000 2.266 333 E HA 0.511 4.875 4.350 0.024 0.000 0.268 333 E C -1.110 175.216 176.600 -0.457 0.000 0.879 333 E CA -0.564 55.709 56.400 -0.212 0.000 0.762 333 E CB 1.602 31.268 29.700 -0.056 0.000 1.199 333 E HN 0.370 nan 8.360 nan 0.000 0.422 334 Y N 0.184 120.559 120.300 0.125 0.000 2.504 334 Y HA 0.251 4.816 4.550 0.024 0.000 0.344 334 Y C -0.424 175.711 175.900 0.391 0.000 1.023 334 Y CA -0.947 57.301 58.100 0.246 0.000 1.020 334 Y CB 2.117 40.688 38.460 0.185 0.000 1.282 334 Y HN 0.455 nan 8.280 nan 0.000 0.454 335 E N 2.695 123.229 120.200 0.557 0.000 2.134 335 E HA 0.401 4.765 4.350 0.024 0.000 0.278 335 E C -1.491 175.404 176.600 0.491 0.000 0.959 335 E CA -0.978 55.709 56.400 0.479 0.000 0.783 335 E CB 1.077 30.991 29.700 0.358 0.000 1.095 335 E HN 0.590 nan 8.360 nan 0.000 0.399 336 L N 4.307 125.751 121.223 0.369 0.000 2.416 336 L HA 0.484 4.839 4.340 0.024 0.000 0.272 336 L C -0.050 176.773 176.870 -0.078 0.000 1.161 336 L CA 0.682 55.447 54.840 -0.124 0.000 0.845 336 L CB 0.975 42.893 42.059 -0.236 0.000 1.119 336 L HN 0.584 nan 8.230 nan 0.000 0.464 337 G N 4.395 113.163 108.800 -0.054 0.000 2.612 337 G HA2 0.580 4.554 3.960 0.024 0.000 0.298 337 G HA3 0.580 4.554 3.960 0.024 0.000 0.298 337 G C -1.635 173.414 174.900 0.248 0.000 1.336 337 G CA -0.530 44.570 45.100 -0.001 0.000 0.953 337 G HN 0.464 nan 8.290 nan 0.000 0.482 338 F N 0.147 120.122 119.950 0.041 0.000 2.507 338 F HA 0.378 4.919 4.527 0.024 0.000 0.325 338 F C 0.338 176.135 175.800 -0.005 0.000 1.116 338 F CA -0.993 57.031 58.000 0.040 0.000 0.930 338 F CB 2.621 41.629 39.000 0.013 0.000 1.146 338 F HN 0.146 nan 8.300 nan 0.000 0.447 339 Q N 4.196 124.115 119.800 0.199 0.000 2.294 339 Q HA 0.467 4.822 4.340 0.024 0.000 0.257 339 Q C -1.015 175.030 176.000 0.073 0.000 0.955 339 Q CA -0.356 55.507 55.803 0.100 0.000 0.936 339 Q CB 1.928 30.727 28.738 0.102 0.000 1.188 339 Q HN 0.525 nan 8.270 nan 0.000 0.420 340 L N 4.608 125.882 121.223 0.085 0.000 2.313 340 L HA 0.589 4.944 4.340 0.024 0.000 0.283 340 L C -0.602 176.322 176.870 0.090 0.000 1.013 340 L CA -0.580 54.300 54.840 0.066 0.000 0.816 340 L CB 1.281 43.390 42.059 0.083 0.000 1.236 340 L HN 0.517 nan 8.230 nan 0.000 0.419 341 I N 4.342 124.981 120.570 0.116 0.000 2.466 341 I HA 0.384 4.569 4.170 0.024 0.000 0.289 341 I C -2.364 173.875 176.117 0.203 0.000 1.026 341 I CA -2.022 59.390 61.300 0.186 0.000 1.078 341 I CB 2.548 40.672 38.000 0.206 0.000 1.249 341 I HN 0.275 nan 8.210 nan 0.000 0.429 342 P HA 0.077 nan 4.420 nan 0.000 0.272 342 P C 0.590 177.967 177.300 0.128 0.000 1.223 342 P CA -0.169 62.974 63.100 0.072 0.000 0.784 342 P CB 0.844 32.579 31.700 0.058 0.000 0.923 343 E N 1.285 121.477 120.200 -0.013 0.000 2.097 343 E HA -0.286 4.078 4.350 0.024 0.000 0.196 343 E C 0.952 177.649 176.600 0.162 0.000 1.000 343 E CA 1.589 58.000 56.400 0.018 0.000 0.804 343 E CB -0.026 29.599 29.700 -0.125 0.000 0.740 343 E HN 0.431 nan 8.360 nan 0.000 0.454 344 E N 0.492 120.754 120.200 0.103 0.000 2.333 344 E HA -0.147 4.217 4.350 0.024 0.000 0.198 344 E C 0.714 177.378 176.600 0.107 0.000 1.007 344 E CA 1.164 57.626 56.400 0.104 0.000 0.845 344 E CB 0.058 29.798 29.700 0.066 0.000 0.766 344 E HN 0.272 nan 8.360 nan 0.000 0.507 345 D N -0.245 120.223 120.400 0.113 0.000 2.368 345 D HA -0.004 4.651 4.640 0.024 0.000 0.218 345 D C 1.135 177.466 176.300 0.052 0.000 1.112 345 D CA 0.022 54.064 54.000 0.069 0.000 0.834 345 D CB 0.059 40.915 40.800 0.093 0.000 0.953 345 D HN 0.245 nan 8.370 nan 0.000 0.505 346 E N -0.159 120.030 120.200 -0.018 0.000 2.147 346 E HA -0.201 4.163 4.350 0.024 0.000 0.199 346 E C 0.407 176.683 176.600 -0.540 0.000 1.005 346 E CA 1.113 57.273 56.400 -0.401 0.000 0.810 346 E CB 0.015 29.301 29.700 -0.691 0.000 0.736 346 E HN 0.283 nan 8.360 nan 0.000 0.460 347 F N -0.556 119.399 119.950 0.009 0.000 2.647 347 F HA 0.278 4.819 4.527 0.024 0.000 0.300 347 F C 1.073 176.806 175.800 -0.112 0.000 1.106 347 F CA -0.271 57.708 58.000 -0.034 0.000 1.313 347 F CB 0.681 39.669 39.000 -0.020 0.000 1.007 347 F HN -0.201 nan 8.300 nan 0.000 0.536 348 K N 0.147 120.472 120.400 -0.125 0.000 2.410 348 K HA 0.196 4.531 4.320 0.024 0.000 0.200 348 K C -0.538 175.630 176.600 -0.720 0.000 1.023 348 K CA 0.101 56.149 56.287 -0.398 0.000 1.149 348 K CB 0.250 32.445 32.500 -0.509 0.000 0.859 348 K HN 0.116 nan 8.250 nan 0.000 0.514 349 F N -0.208 119.584 119.950 -0.264 0.000 2.556 349 F HA 0.184 4.726 4.527 0.024 0.000 0.327 349 F C 1.185 176.780 175.800 -0.343 0.000 1.059 349 F CA -1.089 56.636 58.000 -0.457 0.000 0.953 349 F CB 1.097 39.422 39.000 -1.124 0.000 1.227 349 F HN -0.179 nan 8.300 nan 0.000 0.478 350 D N 0.724 121.115 120.400 -0.015 0.000 2.263 350 D HA -0.077 4.578 4.640 0.024 0.000 0.208 350 D C 0.038 176.423 176.300 0.142 0.000 0.971 350 D CA 1.310 55.374 54.000 0.105 0.000 0.867 350 D CB -0.195 40.750 40.800 0.242 0.000 0.929 350 D HN 0.275 nan 8.370 nan 0.000 0.492 351 F N -0.719 119.314 119.950 0.138 0.000 2.541 351 F HA 0.474 5.015 4.527 0.024 0.000 0.331 351 F C 0.168 175.953 175.800 -0.025 0.000 1.057 351 F CA -1.597 56.403 58.000 -0.001 0.000 0.975 351 F CB 0.738 39.681 39.000 -0.094 0.000 1.246 351 F HN -0.391 nan 8.300 nan 0.000 0.484 352 D N 1.757 122.175 120.400 0.031 0.000 2.277 352 D HA 0.162 4.817 4.640 0.024 0.000 0.249 352 D C 1.022 177.260 176.300 -0.105 0.000 1.134 352 D CA -0.061 53.899 54.000 -0.066 0.000 0.863 352 D CB 1.404 42.180 40.800 -0.040 0.000 1.143 352 D HN 0.746 nan 8.370 nan 0.000 0.458 353 L N 3.437 124.538 121.223 -0.203 0.000 2.261 353 L HA -0.152 4.202 4.340 0.024 0.000 0.216 353 L C 1.911 178.647 176.870 -0.223 0.000 1.114 353 L CA 0.752 55.444 54.840 -0.247 0.000 0.777 353 L CB -0.066 41.692 42.059 -0.502 0.000 0.910 353 L HN 0.478 nan 8.230 nan 0.000 0.440 354 L N -1.113 120.001 121.223 -0.182 0.000 2.592 354 L HA 0.080 4.434 4.340 0.024 0.000 0.227 354 L C 0.395 177.183 176.870 -0.136 0.000 1.127 354 L CA -0.175 54.621 54.840 -0.072 0.000 0.884 354 L CB -0.157 41.976 42.059 0.123 0.000 1.065 354 L HN 0.079 nan 8.230 nan 0.000 0.457 355 D N 1.727 121.815 120.400 -0.520 0.000 2.347 355 D HA 0.124 4.779 4.640 0.024 0.000 0.235 355 D C -1.594 174.487 176.300 -0.364 0.000 1.149 355 D CA -2.261 51.190 54.000 -0.914 0.000 0.850 355 D CB 1.658 41.699 40.800 -1.265 0.000 1.061 355 D HN -0.080 nan 8.370 nan 0.000 0.487 356 P HA -0.037 nan 4.420 nan 0.000 0.245 356 P C 0.858 178.068 177.300 -0.150 0.000 1.212 356 P CA 0.548 63.587 63.100 -0.103 0.000 0.774 356 P CB -0.026 31.707 31.700 0.055 0.000 0.999 357 T N -4.117 110.340 114.554 -0.160 0.000 3.129 357 T HA 0.121 4.486 4.350 0.024 0.000 0.251 357 T C 0.759 175.379 174.700 -0.134 0.000 1.117 357 T CA 0.027 62.040 62.100 -0.145 0.000 1.034 357 T CB -0.257 68.570 68.868 -0.067 0.000 0.968 357 T HN -0.114 nan 8.240 nan 0.000 0.526 358 K N 2.031 122.257 120.400 -0.290 0.000 2.221 358 K HA 0.562 4.896 4.320 0.024 0.000 0.258 358 K C -0.320 176.088 176.600 -0.319 0.000 0.944 358 K CA -0.851 55.138 56.287 -0.497 0.000 0.823 358 K CB 2.171 34.246 32.500 -0.708 0.000 1.113 358 K HN 0.292 nan 8.250 nan 0.000 0.431 359 L N -0.264 120.904 121.223 -0.091 0.000 2.387 359 L HA 0.653 5.007 4.340 0.024 0.000 0.266 359 L C -0.052 176.627 176.870 -0.317 0.000 1.059 359 L CA -0.500 54.248 54.840 -0.154 0.000 0.801 359 L CB 0.326 42.381 42.059 -0.006 0.000 1.223 359 L HN 0.445 nan 8.230 nan 0.000 0.456 360 I N 1.338 121.820 120.570 -0.148 0.000 2.307 360 I HA 0.386 4.570 4.170 0.024 0.000 0.289 360 I C -2.137 174.004 176.117 0.039 0.000 1.021 360 I CA -1.711 59.553 61.300 -0.060 0.000 1.224 360 I CB 1.260 39.254 38.000 -0.011 0.000 1.376 360 I HN 0.460 nan 8.210 nan 0.000 0.470 361 P HA 0.062 nan 4.420 nan 0.000 0.268 361 P C 0.251 177.624 177.300 0.122 0.000 1.204 361 P CA -0.047 63.108 63.100 0.092 0.000 0.768 361 P CB 0.634 32.383 31.700 0.082 0.000 0.842 362 E N 1.628 121.904 120.200 0.126 0.000 2.268 362 E HA -0.179 4.186 4.350 0.024 0.000 0.195 362 E C 1.351 178.007 176.600 0.094 0.000 0.995 362 E CA 0.720 57.181 56.400 0.102 0.000 0.836 362 E CB 0.016 29.776 29.700 0.099 0.000 0.763 362 E HN 0.516 nan 8.360 nan 0.000 0.491 363 E N 0.502 120.760 120.200 0.096 0.000 2.153 363 E HA -0.146 4.218 4.350 0.024 0.000 0.194 363 E C 2.118 178.785 176.600 0.111 0.000 0.988 363 E CA 0.754 57.206 56.400 0.088 0.000 0.811 363 E CB 0.039 29.784 29.700 0.074 0.000 0.746 363 E HN 0.369 nan 8.360 nan 0.000 0.466 364 L N -0.179 121.135 121.223 0.152 0.000 2.127 364 L HA 0.021 4.376 4.340 0.024 0.000 0.203 364 L C 0.723 177.719 176.870 0.209 0.000 1.080 364 L CA 0.519 55.487 54.840 0.214 0.000 0.768 364 L CB 0.299 42.565 42.059 0.345 0.000 0.924 364 L HN -0.188 nan 8.230 nan 0.000 0.444 365 V N 0.580 120.594 119.914 0.167 0.000 2.445 365 V HA 0.322 4.457 4.120 0.024 0.000 0.283 365 V C -2.450 173.693 176.094 0.081 0.000 1.014 365 V CA -1.393 60.987 62.300 0.134 0.000 0.852 365 V CB 1.448 33.347 31.823 0.126 0.000 1.021 365 V HN -0.047 nan 8.190 nan 0.000 0.435 366 P HA 0.217 nan 4.420 nan 0.000 0.274 366 P C -0.353 176.945 177.300 -0.003 0.000 1.237 366 P CA -0.187 62.933 63.100 0.032 0.000 0.793 366 P CB 0.774 32.498 31.700 0.038 0.000 0.977 367 V N 2.973 122.851 119.914 -0.060 0.000 2.455 367 V HA 0.070 4.205 4.120 0.024 0.000 0.273 367 V C 0.547 176.629 176.094 -0.019 0.000 1.045 367 V CA 0.104 62.339 62.300 -0.108 0.000 0.976 367 V CB -0.062 31.612 31.823 -0.248 0.000 0.993 367 V HN 0.459 nan 8.190 nan 0.000 0.475 368 Q N 4.979 124.789 119.800 0.016 0.000 2.274 368 Q HA 0.409 4.763 4.340 0.024 0.000 0.256 368 Q C -0.246 175.746 176.000 -0.014 0.000 0.927 368 Q CA -0.532 55.282 55.803 0.018 0.000 0.939 368 Q CB 1.543 30.304 28.738 0.040 0.000 1.201 368 Q HN 0.625 nan 8.270 nan 0.000 0.426 369 R N 1.272 121.789 120.500 0.029 0.000 2.537 369 R HA 0.085 4.439 4.340 0.024 0.000 0.280 369 R C 0.339 176.678 176.300 0.064 0.000 1.058 369 R CA -0.123 56.039 56.100 0.103 0.000 1.057 369 R CB 0.549 30.974 30.300 0.209 0.000 0.973 369 R HN 0.429 nan 8.270 nan 0.000 0.438 370 V N 0.773 120.653 119.914 -0.058 0.000 3.137 370 V HA 0.330 4.465 4.120 0.024 0.000 0.236 370 V C 0.737 176.613 176.094 -0.364 0.000 1.260 370 V CA 1.000 63.143 62.300 -0.261 0.000 1.244 370 V CB 0.995 32.385 31.823 -0.721 0.000 1.016 370 V HN 1.031 nan 8.190 nan 0.000 0.477 371 G N -0.260 108.206 108.800 -0.557 0.000 2.340 371 G HA2 0.465 4.440 3.960 0.024 0.000 0.299 371 G HA3 0.465 4.440 3.960 0.024 0.000 0.299 371 G C -1.883 172.659 174.900 -0.597 0.000 1.291 371 G CA -0.515 43.878 45.100 -1.180 0.000 0.841 371 G HN 0.054 nan 8.290 nan 0.000 0.500 372 K N -0.298 119.781 120.400 -0.535 0.000 2.378 372 K HA 0.706 5.041 4.320 0.024 0.000 0.252 372 K C -0.908 175.761 176.600 0.115 0.000 0.931 372 K CA -0.773 55.504 56.287 -0.017 0.000 0.794 372 K CB 2.015 34.540 32.500 0.041 0.000 1.181 372 K HN 0.604 nan 8.250 nan 0.000 0.425 373 M N 4.661 124.460 119.600 0.332 0.000 2.383 373 M HA 0.406 4.901 4.480 0.024 0.000 0.325 373 M C -1.704 174.585 176.300 -0.019 0.000 1.092 373 M CA -0.773 54.647 55.300 0.200 0.000 0.961 373 M CB 1.684 34.415 32.600 0.218 0.000 1.672 373 M HN 0.340 nan 8.290 nan 0.000 0.438 374 V N 6.237 125.970 119.914 -0.302 0.000 2.487 374 V HA 0.446 4.580 4.120 0.024 0.000 0.298 374 V C -0.570 175.386 176.094 -0.229 0.000 1.028 374 V CA -0.718 61.422 62.300 -0.267 0.000 0.860 374 V CB 1.761 33.322 31.823 -0.437 0.000 0.991 374 V HN 0.807 nan 8.190 nan 0.000 0.427 375 L N 5.543 126.716 121.223 -0.084 0.000 2.262 375 L HA 0.508 4.863 4.340 0.024 0.000 0.288 375 L C 0.404 177.160 176.870 -0.190 0.000 1.035 375 L CA -0.302 54.484 54.840 -0.089 0.000 0.820 375 L CB 1.036 43.096 42.059 0.002 0.000 1.204 375 L HN 0.874 nan 8.230 nan 0.000 0.424 376 N N 2.448 120.941 118.700 -0.344 0.000 2.194 376 N HA 0.134 4.888 4.740 0.024 0.000 0.231 376 N C -0.044 175.234 175.510 -0.386 0.000 1.247 376 N CA -0.398 52.151 53.050 -0.835 0.000 0.884 376 N CB 0.795 38.480 38.487 -1.336 0.000 1.146 376 N HN 0.467 nan 8.380 nan 0.000 0.516 377 R N 0.353 120.756 120.500 -0.162 0.000 2.515 377 R HA 0.296 4.650 4.340 0.024 0.000 0.278 377 R C -1.204 175.040 176.300 -0.093 0.000 1.107 377 R CA -0.549 55.487 56.100 -0.107 0.000 0.945 377 R CB 1.261 31.512 30.300 -0.082 0.000 1.219 377 R HN 0.053 nan 8.270 nan 0.000 0.434 378 N N 3.536 122.060 118.700 -0.292 0.000 2.399 378 N HA 0.210 4.965 4.740 0.024 0.000 0.250 378 N C -2.221 173.229 175.510 -0.100 0.000 1.272 378 N CA -0.978 51.766 53.050 -0.509 0.000 0.928 378 N CB 0.405 37.943 38.487 -1.583 0.000 1.158 378 N HN 0.349 nan 8.380 nan 0.000 0.463 379 P HA 0.090 nan 4.420 nan 0.000 0.274 379 P C 0.082 177.570 177.300 0.313 0.000 1.260 379 P CA -0.074 63.218 63.100 0.320 0.000 0.793 379 P CB 0.989 32.934 31.700 0.408 0.000 1.048 380 D N -1.233 119.324 120.400 0.262 0.000 2.197 380 D HA -0.013 4.641 4.640 0.024 0.000 0.212 380 D C 0.494 176.970 176.300 0.294 0.000 0.963 380 D CA 1.349 55.496 54.000 0.246 0.000 0.864 380 D CB 0.148 41.032 40.800 0.141 0.000 1.009 380 D HN 0.388 nan 8.370 nan 0.000 0.479 381 N N -0.270 118.598 118.700 0.280 0.000 2.461 381 N HA 0.011 4.765 4.740 0.024 0.000 0.284 381 N C -0.067 175.656 175.510 0.354 0.000 1.049 381 N CA -0.335 52.893 53.050 0.297 0.000 0.889 381 N CB 1.604 40.231 38.487 0.233 0.000 1.365 381 N HN -0.150 nan 8.380 nan 0.000 0.499 382 F N 4.361 124.466 119.950 0.258 0.000 2.102 382 F HA -0.130 4.411 4.527 0.023 0.000 0.298 382 F C 1.694 177.631 175.800 0.228 0.000 1.105 382 F CA 1.384 59.539 58.000 0.260 0.000 1.239 382 F CB -0.106 39.023 39.000 0.216 0.000 0.991 382 F HN 0.596 nan 8.300 nan 0.000 0.474 383 F N 0.941 121.149 119.950 0.430 0.000 2.095 383 F HA -0.177 4.365 4.527 0.025 0.000 0.298 383 F C 2.310 178.173 175.800 0.105 0.000 1.104 383 F CA 1.856 60.014 58.000 0.265 0.000 1.232 383 F CB -0.915 38.214 39.000 0.215 0.000 0.987 383 F HN 0.006 nan 8.300 nan 0.000 0.475 384 A N -0.444 122.509 122.820 0.221 0.000 1.930 384 A HA -0.149 4.186 4.320 0.024 0.000 0.217 384 A C 2.072 179.589 177.584 -0.111 0.000 1.175 384 A CA 1.974 54.054 52.037 0.071 0.000 0.627 384 A CB -0.628 18.470 19.000 0.164 0.000 0.815 384 A HN 0.590 nan 8.150 nan 0.000 0.443 385 E N -1.390 118.761 120.200 -0.082 0.000 2.175 385 E HA -0.053 4.312 4.350 0.024 0.000 0.195 385 E C 1.945 178.460 176.600 -0.141 0.000 0.934 385 E CA 0.399 56.690 56.400 -0.182 0.000 0.870 385 E CB -0.113 29.534 29.700 -0.088 0.000 0.838 385 E HN 0.546 nan 8.360 nan 0.000 0.474 386 N N 1.367 119.977 118.700 -0.149 0.000 2.182 386 N HA -0.164 4.590 4.740 0.024 0.000 0.186 386 N C 1.831 177.160 175.510 -0.302 0.000 1.036 386 N CA 1.390 54.280 53.050 -0.266 0.000 0.850 386 N CB 0.095 38.013 38.487 -0.948 0.000 1.010 386 N HN -0.052 nan 8.380 nan 0.000 0.432 387 E N 0.786 120.744 120.200 -0.403 0.000 2.110 387 E HA -0.076 4.288 4.350 0.024 0.000 0.193 387 E C 1.614 178.025 176.600 -0.314 0.000 0.988 387 E CA 1.411 57.649 56.400 -0.269 0.000 0.804 387 E CB -0.151 29.416 29.700 -0.221 0.000 0.745 387 E HN 0.482 nan 8.360 nan 0.000 0.458 388 Q N -0.249 119.295 119.800 -0.426 0.000 2.403 388 Q HA 0.259 4.614 4.340 0.024 0.000 0.203 388 Q C -0.025 175.855 176.000 -0.200 0.000 0.932 388 Q CA 0.188 55.795 55.803 -0.327 0.000 0.945 388 Q CB 0.486 29.009 28.738 -0.358 0.000 1.045 388 Q HN 0.221 nan 8.270 nan 0.000 0.511 389 A N 1.143 123.868 122.820 -0.159 0.000 2.498 389 A HA 0.450 4.784 4.320 0.024 0.000 0.239 389 A C -0.131 177.347 177.584 -0.177 0.000 1.068 389 A CA 0.175 52.101 52.037 -0.185 0.000 0.766 389 A CB 0.244 19.211 19.000 -0.055 0.000 1.003 389 A HN 0.275 nan 8.150 nan 0.000 0.497 390 A N 2.365 125.024 122.820 -0.269 0.000 2.311 390 A HA 0.710 5.044 4.320 0.024 0.000 0.306 390 A C -0.781 176.676 177.584 -0.211 0.000 1.189 390 A CA -0.400 51.542 52.037 -0.158 0.000 0.791 390 A CB 0.282 19.180 19.000 -0.171 0.000 1.172 390 A HN 0.642 nan 8.150 nan 0.000 0.481 391 F N 0.919 120.876 119.950 0.011 0.000 2.492 391 F HA 0.672 5.214 4.527 0.024 0.000 0.327 391 F C 0.308 176.093 175.800 -0.025 0.000 1.079 391 F CA -0.083 57.904 58.000 -0.021 0.000 0.967 391 F CB 2.098 41.029 39.000 -0.115 0.000 1.169 391 F HN 0.760 nan 8.300 nan 0.000 0.472 392 H N 2.925 121.862 119.070 -0.223 0.000 3.087 392 H HA 0.276 4.847 4.556 0.025 0.000 0.348 392 H C -2.491 172.460 175.328 -0.628 0.000 1.092 392 H CA -1.702 53.981 56.048 -0.608 0.000 1.285 392 H CB 2.763 32.100 29.762 -0.708 0.000 1.875 392 H HN 0.188 nan 8.280 nan 0.000 0.512 393 P HA 0.007 nan 4.420 nan 0.000 0.229 393 P C 1.144 178.313 177.300 -0.217 0.000 1.160 393 P CA 1.277 64.061 63.100 -0.526 0.000 0.777 393 P CB 0.124 31.572 31.700 -0.421 0.000 0.814 394 G N -0.806 107.656 108.800 -0.563 0.000 2.559 394 G HA2 -0.170 3.805 3.960 0.024 0.000 0.216 394 G HA3 -0.170 3.805 3.960 0.024 0.000 0.216 394 G C 0.485 175.604 174.900 0.365 0.000 1.126 394 G CA 0.028 45.208 45.100 0.133 0.000 0.778 394 G HN 0.445 nan 8.290 nan 0.000 0.543 395 H N 0.770 119.966 119.070 0.208 0.000 3.216 395 H HA 0.325 4.895 4.556 0.024 0.000 0.263 395 H C 0.620 176.055 175.328 0.178 0.000 1.601 395 H CA -0.763 55.371 56.048 0.142 0.000 1.509 395 H CB -0.143 29.668 29.762 0.082 0.000 1.759 395 H HN 0.384 nan 8.280 nan 0.000 0.533 396 I N -0.407 120.287 120.570 0.206 0.000 3.217 396 I HA 0.686 4.871 4.170 0.024 0.000 0.308 396 I C -0.133 175.960 176.117 -0.039 0.000 1.091 396 I CA -1.403 59.937 61.300 0.067 0.000 1.013 396 I CB 1.865 39.784 38.000 -0.134 0.000 1.250 396 I HN 0.108 nan 8.210 nan 0.000 0.496 397 V N -2.246 117.626 119.914 -0.070 0.000 3.102 397 V HA 0.669 4.803 4.120 0.024 0.000 0.312 397 V C -2.856 173.332 176.094 0.158 0.000 1.135 397 V CA -2.542 59.778 62.300 0.034 0.000 1.022 397 V CB 1.019 32.852 31.823 0.016 0.000 1.056 397 V HN 0.629 nan 8.190 nan 0.000 0.436 398 P HA 0.387 nan 4.420 nan 0.000 0.264 398 P C 0.894 178.197 177.300 0.004 0.000 1.193 398 P CA 1.936 65.121 63.100 0.143 0.000 0.763 398 P CB 0.739 32.498 31.700 0.098 0.000 0.810 399 G N 1.705 110.461 108.800 -0.073 0.000 2.218 399 G HA2 -0.164 3.811 3.960 0.024 0.000 0.216 399 G HA3 -0.164 3.811 3.960 0.024 0.000 0.216 399 G C -0.246 174.564 174.900 -0.151 0.000 0.994 399 G CA -0.456 44.574 45.100 -0.116 0.000 0.637 399 G HN 0.442 nan 8.290 nan 0.000 0.505 400 L N 0.220 121.367 121.223 -0.128 0.000 2.341 400 L HA 0.889 5.243 4.340 0.024 0.000 0.267 400 L C -0.494 176.314 176.870 -0.104 0.000 1.009 400 L CA -1.017 53.725 54.840 -0.164 0.000 0.819 400 L CB 2.057 43.939 42.059 -0.294 0.000 1.323 400 L HN 0.117 nan 8.230 nan 0.000 0.425 401 D N -0.456 119.871 120.400 -0.122 0.000 2.643 401 D HA 0.470 5.124 4.640 0.024 0.000 0.283 401 D C -1.216 175.016 176.300 -0.114 0.000 1.242 401 D CA -0.335 53.558 54.000 -0.180 0.000 0.863 401 D CB 1.946 42.713 40.800 -0.055 0.000 1.382 401 D HN 0.105 nan 8.370 nan 0.000 0.444 402 F N -0.287 119.776 119.950 0.190 0.000 2.377 402 F HA 0.542 5.084 4.527 0.024 0.000 0.335 402 F C 1.449 177.256 175.800 0.012 0.000 1.099 402 F CA -0.327 57.706 58.000 0.054 0.000 1.072 402 F CB 1.204 40.210 39.000 0.011 0.000 1.417 402 F HN 0.219 nan 8.300 nan 0.000 0.495 403 T N -3.292 111.349 114.554 0.143 0.000 2.742 403 T HA 0.312 4.676 4.350 0.024 0.000 0.282 403 T C -0.077 174.653 174.700 0.051 0.000 1.025 403 T CA -0.956 61.217 62.100 0.121 0.000 1.020 403 T CB 1.153 70.080 68.868 0.099 0.000 1.317 403 T HN 0.353 nan 8.240 nan 0.000 0.538 404 N N 1.067 119.806 118.700 0.066 0.000 2.383 404 N HA 0.066 4.821 4.740 0.024 0.000 0.192 404 N C 0.034 175.553 175.510 0.016 0.000 1.141 404 N CA 0.042 53.113 53.050 0.034 0.000 0.851 404 N CB -0.430 38.095 38.487 0.063 0.000 0.976 404 N HN 0.687 nan 8.380 nan 0.000 0.465 405 D N 2.458 122.853 120.400 -0.008 0.000 2.793 405 D HA -0.102 4.552 4.640 0.024 0.000 0.230 405 D C -1.415 174.879 176.300 -0.010 0.000 1.139 405 D CA -0.632 53.379 54.000 0.019 0.000 0.838 405 D CB 1.130 41.879 40.800 -0.085 0.000 1.149 405 D HN 0.178 nan 8.370 nan 0.000 0.526 406 P HA -0.066 nan 4.420 nan 0.000 0.241 406 P C 1.446 178.763 177.300 0.028 0.000 1.191 406 P CA -0.015 63.101 63.100 0.026 0.000 0.771 406 P CB 0.476 32.187 31.700 0.018 0.000 0.929 407 L N 0.013 121.269 121.223 0.056 0.000 2.084 407 L HA 0.013 4.367 4.340 0.024 0.000 0.202 407 L C 2.383 179.170 176.870 -0.139 0.000 1.074 407 L CA 1.228 56.095 54.840 0.045 0.000 0.757 407 L CB -1.531 40.641 42.059 0.187 0.000 0.918 407 L HN -0.174 nan 8.230 nan 0.000 0.444 408 L N -0.438 120.538 121.223 -0.412 0.000 2.013 408 L HA -0.253 4.101 4.340 0.024 0.000 0.212 408 L C 2.454 179.069 176.870 -0.426 0.000 1.073 408 L CA 1.852 56.225 54.840 -0.779 0.000 0.753 408 L CB -0.894 40.411 42.059 -1.257 0.000 0.890 408 L HN 0.388 nan 8.230 nan 0.000 0.432 409 Q N -0.202 119.423 119.800 -0.292 0.000 2.096 409 Q HA -0.159 4.196 4.340 0.024 0.000 0.204 409 Q C 2.113 178.032 176.000 -0.135 0.000 0.982 409 Q CA 1.777 57.449 55.803 -0.218 0.000 0.850 409 Q CB -0.753 27.908 28.738 -0.129 0.000 0.901 409 Q HN 0.724 nan 8.270 nan 0.000 0.422 410 G N 0.467 109.220 108.800 -0.079 0.000 2.430 410 G HA2 -0.198 3.777 3.960 0.024 0.000 0.216 410 G HA3 -0.198 3.777 3.960 0.024 0.000 0.216 410 G C 1.507 176.427 174.900 0.033 0.000 1.146 410 G CA 0.118 45.221 45.100 0.006 0.000 0.793 410 G HN 0.246 nan 8.290 nan 0.000 0.537 411 R N -0.017 120.451 120.500 -0.054 0.000 2.105 411 R HA -0.010 4.344 4.340 0.024 0.000 0.239 411 R C 2.493 178.878 176.300 0.141 0.000 1.135 411 R CA 0.999 57.128 56.100 0.048 0.000 0.967 411 R CB -0.521 29.764 30.300 -0.025 0.000 0.861 411 R HN 0.341 nan 8.270 nan 0.000 0.442 412 L N -0.396 120.803 121.223 -0.041 0.000 2.127 412 L HA -0.206 4.148 4.340 0.024 0.000 0.211 412 L C 2.308 179.317 176.870 0.231 0.000 1.089 412 L CA 1.123 55.968 54.840 0.008 0.000 0.757 412 L CB -0.476 41.439 42.059 -0.239 0.000 0.899 412 L HN 0.152 nan 8.230 nan 0.000 0.434 413 F N 0.219 120.202 119.950 0.056 0.000 2.128 413 F HA -0.198 4.344 4.527 0.024 0.000 0.295 413 F C 2.814 178.655 175.800 0.068 0.000 1.100 413 F CA 1.602 59.631 58.000 0.048 0.000 1.260 413 F CB -0.281 38.727 39.000 0.013 0.000 1.009 413 F HN -0.036 nan 8.300 nan 0.000 0.476 414 S N -0.688 115.027 115.700 0.025 0.000 2.355 414 S HA -0.234 4.250 4.470 0.024 0.000 0.222 414 S C 2.064 176.533 174.600 -0.219 0.000 1.031 414 S CA 1.535 59.637 58.200 -0.164 0.000 0.993 414 S CB -0.846 62.284 63.200 -0.117 0.000 0.859 414 S HN 0.532 nan 8.310 nan 0.000 0.453 415 Y N 1.845 122.134 120.300 -0.017 0.000 2.421 415 Y HA -0.054 4.511 4.550 0.024 0.000 0.292 415 Y C 2.980 178.528 175.900 -0.587 0.000 1.136 415 Y CA 1.281 59.361 58.100 -0.034 0.000 1.255 415 Y CB -0.529 38.882 38.460 1.585 0.000 0.991 415 Y HN 0.535 nan 8.280 nan 0.000 0.552 416 T N -3.235 110.928 114.554 -0.652 0.000 2.939 416 T HA -0.116 4.248 4.350 0.024 0.000 0.254 416 T C 1.546 176.036 174.700 -0.350 0.000 1.041 416 T CA 1.086 62.907 62.100 -0.466 0.000 1.142 416 T CB -0.428 68.224 68.868 -0.360 0.000 0.874 416 T HN 0.217 nan 8.240 nan 0.000 0.452 417 D N 1.483 121.609 120.400 -0.457 0.000 2.104 417 D HA -0.141 4.513 4.640 0.024 0.000 0.194 417 D C 2.284 178.422 176.300 -0.271 0.000 0.994 417 D CA 1.895 55.650 54.000 -0.409 0.000 0.830 417 D CB -0.847 39.524 40.800 -0.715 0.000 0.959 417 D HN 0.379 nan 8.370 nan 0.000 0.452 418 T N -0.957 113.427 114.554 -0.283 0.000 2.803 418 T HA -0.150 4.214 4.350 0.024 0.000 0.269 418 T C 1.648 176.217 174.700 -0.218 0.000 1.052 418 T CA 1.254 63.229 62.100 -0.209 0.000 1.136 418 T CB -0.230 68.514 68.868 -0.207 0.000 0.864 418 T HN 0.142 nan 8.240 nan 0.000 0.467 419 Q N 0.645 120.241 119.800 -0.340 0.000 2.291 419 Q HA -0.016 4.339 4.340 0.024 0.000 0.206 419 Q C 2.240 178.121 176.000 -0.199 0.000 0.976 419 Q CA 0.743 56.291 55.803 -0.425 0.000 0.875 419 Q CB -0.457 27.609 28.738 -1.121 0.000 0.927 419 Q HN 0.514 nan 8.270 nan 0.000 0.450 420 I N 0.899 121.404 120.570 -0.109 0.000 2.286 420 I HA -0.200 3.984 4.170 0.024 0.000 0.248 420 I C 2.290 178.402 176.117 -0.008 0.000 1.115 420 I CA 1.662 62.959 61.300 -0.006 0.000 1.392 420 I CB -1.300 36.703 38.000 0.005 0.000 1.065 420 I HN 0.197 nan 8.210 nan 0.000 0.418 421 S N 0.208 115.889 115.700 -0.032 0.000 2.427 421 S HA -0.053 4.432 4.470 0.024 0.000 0.224 421 S C 2.165 176.753 174.600 -0.019 0.000 1.047 421 S CA 0.092 58.284 58.200 -0.013 0.000 0.953 421 S CB -0.330 62.865 63.200 -0.008 0.000 0.824 421 S HN 0.289 nan 8.310 nan 0.000 0.502 422 R N 0.896 121.365 120.500 -0.051 0.000 2.081 422 R HA 0.153 4.508 4.340 0.024 0.000 0.235 422 R C 1.281 177.559 176.300 -0.038 0.000 1.131 422 R CA 1.442 57.513 56.100 -0.048 0.000 0.960 422 R CB -0.230 30.019 30.300 -0.086 0.000 0.856 422 R HN 0.449 nan 8.270 nan 0.000 0.436 423 L N -0.914 120.277 121.223 -0.053 0.000 2.857 423 L HA 0.334 4.688 4.340 0.024 0.000 0.249 423 L C 0.807 177.692 176.870 0.025 0.000 1.172 423 L CA 0.244 55.071 54.840 -0.021 0.000 0.980 423 L CB 1.213 43.251 42.059 -0.036 0.000 1.299 423 L HN 0.530 nan 8.230 nan 0.000 0.535 424 G N 0.049 108.864 108.800 0.024 0.000 2.162 424 G HA2 -0.130 3.845 3.960 0.024 0.000 0.260 424 G HA3 -0.130 3.845 3.960 0.024 0.000 0.260 424 G C 0.484 175.421 174.900 0.062 0.000 0.976 424 G CA 0.136 45.259 45.100 0.038 0.000 0.655 424 G HN 0.806 nan 8.290 nan 0.000 0.533 425 G N -1.647 107.209 108.800 0.095 0.000 2.352 425 G HA2 0.568 4.543 3.960 0.024 0.000 0.283 425 G HA3 0.568 4.543 3.960 0.024 0.000 0.283 425 G C -2.194 172.832 174.900 0.211 0.000 1.308 425 G CA 0.358 45.529 45.100 0.119 0.000 0.892 425 G HN 0.495 nan 8.290 nan 0.000 0.504 426 P HA 0.135 nan 4.420 nan 0.000 0.249 426 P C 0.216 177.521 177.300 0.009 0.000 1.229 426 P CA 0.362 63.550 63.100 0.146 0.000 0.788 426 P CB 0.169 31.921 31.700 0.086 0.000 1.072 427 N N 0.381 119.086 118.700 0.009 0.000 2.376 427 N HA 0.074 4.829 4.740 0.024 0.000 0.249 427 N C 0.960 176.311 175.510 -0.266 0.000 1.140 427 N CA -0.208 52.748 53.050 -0.157 0.000 0.870 427 N CB -0.476 37.954 38.487 -0.096 0.000 1.124 427 N HN 0.257 nan 8.380 nan 0.000 0.505 428 F N 0.607 120.527 119.950 -0.051 0.000 2.365 428 F HA -0.028 4.512 4.527 0.023 0.000 0.300 428 F C 2.214 177.939 175.800 -0.125 0.000 1.090 428 F CA 0.695 58.640 58.000 -0.091 0.000 1.408 428 F CB -0.724 38.243 39.000 -0.055 0.000 1.060 428 F HN 0.164 nan 8.300 nan 0.000 0.534 429 H N 0.452 119.145 119.070 -0.627 0.000 2.546 429 H HA 0.064 4.635 4.556 0.025 0.000 0.277 429 H C 0.747 175.909 175.328 -0.277 0.000 1.004 429 H CA 1.342 57.122 56.048 -0.448 0.000 1.231 429 H CB -0.665 28.690 29.762 -0.679 0.000 1.382 429 H HN 0.533 nan 8.280 nan 0.000 0.580 430 E N 0.893 120.663 120.200 -0.718 0.000 2.474 430 E HA 0.189 4.554 4.350 0.024 0.000 0.194 430 E C 0.319 176.799 176.600 -0.201 0.000 1.041 430 E CA -0.312 55.829 56.400 -0.432 0.000 0.874 430 E CB 0.566 30.022 29.700 -0.406 0.000 0.914 430 E HN 0.420 nan 8.360 nan 0.000 0.498 431 I N 2.814 123.285 120.570 -0.165 0.000 2.668 431 I HA -0.058 4.126 4.170 0.024 0.000 0.285 431 I C -1.566 174.487 176.117 -0.106 0.000 1.168 431 I CA -1.328 59.906 61.300 -0.110 0.000 1.424 431 I CB 0.618 38.566 38.000 -0.086 0.000 1.377 431 I HN -0.180 nan 8.210 nan 0.000 0.560 432 P HA -0.245 nan 4.420 nan 0.000 0.216 432 P C 1.771 178.996 177.300 -0.124 0.000 1.157 432 P CA 1.265 64.308 63.100 -0.096 0.000 0.880 432 P CB 0.168 31.819 31.700 -0.082 0.000 0.791 433 I N -0.607 119.861 120.570 -0.170 0.000 2.315 433 I HA -0.240 3.944 4.170 0.024 0.000 0.251 433 I C 1.383 177.423 176.117 -0.128 0.000 1.125 433 I CA 1.792 62.943 61.300 -0.249 0.000 1.392 433 I CB -0.606 37.126 38.000 -0.447 0.000 1.065 433 I HN -0.094 nan 8.210 nan 0.000 0.424 434 N N 0.652 119.290 118.700 -0.104 0.000 2.463 434 N HA 0.016 4.771 4.740 0.024 0.000 0.181 434 N C 0.305 175.813 175.510 -0.004 0.000 1.078 434 N CA 0.243 53.258 53.050 -0.058 0.000 0.902 434 N CB -0.174 38.297 38.487 -0.027 0.000 0.970 434 N HN 0.384 nan 8.380 nan 0.000 0.451 435 R N 1.554 122.050 120.500 -0.007 0.000 2.585 435 R HA 0.101 4.455 4.340 0.024 0.000 0.275 435 R C -2.217 174.136 176.300 0.089 0.000 1.018 435 R CA -1.017 55.083 56.100 -0.000 0.000 1.072 435 R CB -0.107 30.180 30.300 -0.022 0.000 0.953 435 R HN 0.038 nan 8.270 nan 0.000 0.419 436 P HA -0.001 nan 4.420 nan 0.000 0.271 436 P C 0.609 177.980 177.300 0.118 0.000 1.218 436 P CA -0.055 63.117 63.100 0.120 0.000 0.780 436 P CB 0.817 32.542 31.700 0.042 0.000 0.901 437 T N -1.440 113.201 114.554 0.145 0.000 3.043 437 T HA 0.194 4.559 4.350 0.024 0.000 0.263 437 T C 0.928 175.677 174.700 0.083 0.000 1.094 437 T CA 0.086 62.227 62.100 0.069 0.000 1.127 437 T CB -0.367 68.529 68.868 0.046 0.000 0.905 437 T HN 0.440 nan 8.240 nan 0.000 0.490 438 A N 2.940 125.824 122.820 0.106 0.000 2.406 438 A HA 0.542 4.876 4.320 0.024 0.000 0.243 438 A C -2.203 175.446 177.584 0.108 0.000 1.082 438 A CA -1.313 50.784 52.037 0.101 0.000 0.786 438 A CB -0.398 18.662 19.000 0.100 0.000 1.029 438 A HN 0.290 nan 8.150 nan 0.000 0.495 439 P HA 0.317 nan 4.420 nan 0.000 0.269 439 P C -1.079 176.312 177.300 0.152 0.000 1.209 439 P CA 0.552 63.733 63.100 0.134 0.000 0.776 439 P CB 0.178 31.999 31.700 0.201 0.000 0.876 440 Y N 0.916 121.117 120.300 -0.165 0.000 2.421 440 Y HA 0.678 5.242 4.550 0.023 0.000 0.339 440 Y C -1.409 174.176 175.900 -0.526 0.000 0.996 440 Y CA -0.928 57.054 58.100 -0.197 0.000 1.046 440 Y CB 1.457 39.817 38.460 -0.167 0.000 1.226 440 Y HN 0.440 nan 8.280 nan 0.000 0.445 441 H N 3.643 122.567 119.070 -0.244 0.000 2.947 441 H HA 0.536 5.107 4.556 0.025 0.000 0.354 441 H C -1.203 173.977 175.328 -0.248 0.000 1.085 441 H CA -0.827 54.997 56.048 -0.373 0.000 1.253 441 H CB 1.653 31.247 29.762 -0.280 0.000 1.757 441 H HN 0.896 nan 8.280 nan 0.000 0.523 442 N N 0.326 118.890 118.700 -0.227 0.000 3.378 442 N HA 0.177 4.931 4.740 0.024 0.000 0.294 442 N C -1.202 174.059 175.510 -0.416 0.000 1.544 442 N CA -0.947 51.931 53.050 -0.287 0.000 0.872 442 N CB 0.583 39.066 38.487 -0.005 0.000 1.670 442 N HN 0.311 nan 8.380 nan 0.000 0.551 443 F N -0.320 119.668 119.950 0.063 0.000 2.641 443 F HA 0.351 4.892 4.527 0.023 0.000 0.302 443 F C 0.464 176.305 175.800 0.068 0.000 1.098 443 F CA -0.335 57.698 58.000 0.055 0.000 1.318 443 F CB 0.196 39.226 39.000 0.049 0.000 1.035 443 F HN 0.133 nan 8.300 nan 0.000 0.551 444 Q N 1.579 121.482 119.800 0.170 0.000 2.327 444 Q HA 0.390 4.745 4.340 0.024 0.000 0.254 444 Q C 0.034 176.109 176.000 0.125 0.000 0.952 444 Q CA -0.079 55.808 55.803 0.141 0.000 0.884 444 Q CB 1.061 29.861 28.738 0.103 0.000 1.224 444 Q HN 0.082 nan 8.270 nan 0.000 0.422 445 R N 1.728 122.296 120.500 0.113 0.000 2.808 445 R HA 0.376 4.731 4.340 0.024 0.000 0.272 445 R C -0.589 175.759 176.300 0.080 0.000 0.995 445 R CA -0.620 55.537 56.100 0.095 0.000 0.917 445 R CB 1.256 31.614 30.300 0.097 0.000 1.217 445 R HN 0.713 nan 8.270 nan 0.000 0.471 446 D N -0.221 120.218 120.400 0.066 0.000 3.455 446 D HA -0.168 4.486 4.640 0.024 0.000 0.216 446 D C 0.350 176.683 176.300 0.054 0.000 1.510 446 D CA 1.914 55.945 54.000 0.052 0.000 1.128 446 D CB -1.123 39.707 40.800 0.050 0.000 0.680 446 D HN 0.898 nan 8.370 nan 0.000 0.828 447 G N -1.228 107.602 108.800 0.051 0.000 2.758 447 G HA2 0.180 4.154 3.960 0.024 0.000 0.686 447 G HA3 0.180 4.154 3.960 0.024 0.000 0.686 447 G C -0.296 174.636 174.900 0.054 0.000 1.389 447 G CA 0.085 45.218 45.100 0.055 0.000 0.845 447 G HN 0.801 nan 8.290 nan 0.000 0.572 448 M N 1.080 120.718 119.600 0.064 0.000 2.245 448 M HA 0.500 4.995 4.480 0.024 0.000 0.344 448 M C 1.078 177.455 176.300 0.128 0.000 1.170 448 M CA 1.190 56.537 55.300 0.078 0.000 1.135 448 M CB -0.540 32.108 32.600 0.079 0.000 1.574 448 M HN 1.615 nan 8.290 nan 0.000 0.452 449 H N 0.939 120.013 119.070 0.006 0.000 2.692 449 H HA -0.196 4.373 4.556 0.022 0.000 0.316 449 H C -0.654 174.665 175.328 -0.016 0.000 1.176 449 H CA 0.609 56.657 56.048 -0.001 0.000 1.142 449 H CB -0.598 29.166 29.762 0.004 0.000 1.475 449 H HN 0.658 nan 8.280 nan 0.000 0.423 450 R N 1.359 121.882 120.500 0.039 0.000 2.421 450 R HA 0.029 4.384 4.340 0.024 0.000 0.305 450 R C 0.929 177.224 176.300 -0.007 0.000 1.039 450 R CA 0.193 56.306 56.100 0.021 0.000 1.003 450 R CB 0.270 30.579 30.300 0.016 0.000 0.959 450 R HN 0.408 nan 8.270 nan 0.000 0.427 451 M N 2.694 122.304 119.600 0.016 0.000 2.557 451 M HA 0.223 4.717 4.480 0.024 0.000 0.262 451 M C 0.950 177.247 176.300 -0.004 0.000 1.168 451 M CA 1.022 56.327 55.300 0.008 0.000 1.194 451 M CB -0.854 31.763 32.600 0.028 0.000 1.311 451 M HN 0.696 nan 8.290 nan 0.000 0.489 452 G N 2.092 110.895 108.800 0.005 0.000 2.343 452 G HA2 0.400 4.374 3.960 0.024 0.000 0.254 452 G HA3 0.400 4.374 3.960 0.024 0.000 0.254 452 G C -0.308 174.586 174.900 -0.010 0.000 1.277 452 G CA -0.371 44.726 45.100 -0.004 0.000 0.909 452 G HN 0.315 nan 8.290 nan 0.000 0.502 453 I N 2.979 123.536 120.570 -0.021 0.000 2.307 453 I HA 0.103 4.287 4.170 0.024 0.000 0.287 453 I C -0.276 175.828 176.117 -0.021 0.000 1.054 453 I CA -0.537 60.754 61.300 -0.016 0.000 1.218 453 I CB 0.933 38.923 38.000 -0.016 0.000 1.398 453 I HN 0.342 nan 8.210 nan 0.000 0.475 454 D N 4.862 125.254 120.400 -0.013 0.000 2.348 454 D HA 0.070 4.724 4.640 0.024 0.000 0.253 454 D C 1.215 177.514 176.300 -0.002 0.000 1.161 454 D CA 0.232 54.221 54.000 -0.017 0.000 0.876 454 D CB 1.921 42.718 40.800 -0.004 0.000 1.160 454 D HN 0.573 nan 8.370 nan 0.000 0.459 455 T N -0.632 113.917 114.554 -0.008 0.000 3.060 455 T HA -0.057 4.308 4.350 0.024 0.000 0.249 455 T C 0.836 175.544 174.700 0.013 0.000 1.079 455 T CA -0.523 61.577 62.100 0.001 0.000 1.013 455 T CB 0.158 69.021 68.868 -0.010 0.000 0.975 455 T HN 0.115 nan 8.240 nan 0.000 0.518 456 N N 3.339 122.049 118.700 0.016 0.000 2.411 456 N HA 0.091 4.846 4.740 0.024 0.000 0.261 456 N C -1.685 173.866 175.510 0.067 0.000 1.248 456 N CA -1.519 51.555 53.050 0.040 0.000 0.885 456 N CB 1.413 39.923 38.487 0.039 0.000 1.062 456 N HN 0.063 nan 8.380 nan 0.000 0.471 457 P HA -0.016 nan 4.420 nan 0.000 0.219 457 P C -0.572 176.790 177.300 0.104 0.000 1.146 457 P CA 0.935 64.081 63.100 0.076 0.000 0.808 457 P CB 0.199 31.939 31.700 0.067 0.000 0.779 458 A N 0.683 123.554 122.820 0.085 0.000 2.301 458 A HA 0.397 4.732 4.320 0.024 0.000 0.312 458 A C 0.464 178.155 177.584 0.178 0.000 1.182 458 A CA -0.623 51.419 52.037 0.008 0.000 0.826 458 A CB -0.059 18.775 19.000 -0.276 0.000 1.134 458 A HN 0.287 nan 8.150 nan 0.000 0.501 459 N N 0.326 119.161 118.700 0.226 0.000 2.351 459 N HA 0.363 5.117 4.740 0.024 0.000 0.254 459 N C -0.871 174.808 175.510 0.282 0.000 1.241 459 N CA -0.369 52.898 53.050 0.362 0.000 0.883 459 N CB 0.348 38.999 38.487 0.274 0.000 1.202 459 N HN 0.691 nan 8.380 nan 0.000 0.512 460 Y N -1.070 119.091 120.300 -0.232 0.000 2.638 460 Y HA 0.672 5.236 4.550 0.024 0.000 0.335 460 Y C -1.561 173.686 175.900 -1.088 0.000 1.155 460 Y CA -1.370 56.416 58.100 -0.523 0.000 1.046 460 Y CB 1.007 39.330 38.460 -0.229 0.000 1.303 460 Y HN 0.066 nan 8.280 nan 0.000 0.460 461 E N 0.949 120.638 120.200 -0.851 0.000 2.356 461 E HA 0.656 5.021 4.350 0.024 0.000 0.275 461 E C -3.188 173.307 176.600 -0.175 0.000 0.904 461 E CA -1.967 54.058 56.400 -0.625 0.000 0.757 461 E CB 1.761 31.043 29.700 -0.698 0.000 1.232 461 E HN 0.578 nan 8.360 nan 0.000 0.442 462 P HA 0.317 nan 4.420 nan 0.000 0.278 462 P C -1.293 175.957 177.300 -0.084 0.000 1.238 462 P CA -0.497 62.537 63.100 -0.110 0.000 0.794 462 P CB 0.550 32.221 31.700 -0.049 0.000 0.955 463 N N -1.497 117.080 118.700 -0.204 0.000 2.242 463 N HA 0.320 5.075 4.740 0.024 0.000 0.292 463 N C 0.270 175.727 175.510 -0.089 0.000 1.125 463 N CA -0.775 52.162 53.050 -0.188 0.000 0.783 463 N CB 1.444 39.494 38.487 -0.727 0.000 1.558 463 N HN 0.181 nan 8.380 nan 0.000 0.472 464 S N 0.761 116.459 115.700 -0.002 0.000 2.492 464 S HA -0.009 4.475 4.470 0.024 0.000 0.218 464 S C 1.546 176.154 174.600 0.014 0.000 1.016 464 S CA 0.041 58.241 58.200 -0.000 0.000 0.916 464 S CB -0.764 62.449 63.200 0.021 0.000 0.791 464 S HN 0.718 nan 8.310 nan 0.000 0.513 465 I N -0.715 119.871 120.570 0.028 0.000 2.830 465 I HA 0.212 4.396 4.170 0.024 0.000 0.263 465 I C 1.202 177.347 176.117 0.048 0.000 1.230 465 I CA 1.215 62.543 61.300 0.048 0.000 1.480 465 I CB -0.388 37.660 38.000 0.080 0.000 1.095 465 I HN 0.184 nan 8.210 nan 0.000 0.455 466 N N 1.301 120.025 118.700 0.040 0.000 2.351 466 N HA 0.043 4.797 4.740 0.024 0.000 0.254 466 N C -0.112 175.499 175.510 0.168 0.000 1.241 466 N CA -0.088 53.027 53.050 0.109 0.000 0.883 466 N CB -0.007 38.556 38.487 0.127 0.000 1.202 466 N HN 0.187 nan 8.380 nan 0.000 0.512 467 D N 0.858 121.303 120.400 0.076 0.000 2.751 467 D HA -0.260 4.394 4.640 0.024 0.000 0.233 467 D C -0.007 176.172 176.300 -0.202 0.000 1.149 467 D CA 1.058 55.061 54.000 0.004 0.000 0.682 467 D CB -1.328 39.548 40.800 0.127 0.000 1.068 467 D HN 0.508 nan 8.370 nan 0.000 0.429 468 N N -1.668 116.948 118.700 -0.139 0.000 2.753 468 N HA -0.252 4.502 4.740 0.024 0.000 0.251 468 N C -0.759 174.671 175.510 -0.134 0.000 1.097 468 N CA 1.459 54.399 53.050 -0.184 0.000 0.786 468 N CB -1.248 37.088 38.487 -0.253 0.000 1.137 468 N HN 0.542 nan 8.380 nan 0.000 0.566 469 W N 0.850 122.199 121.300 0.081 0.000 2.303 469 W HA 0.443 5.117 4.660 0.024 0.000 0.334 469 W C -1.662 174.900 176.519 0.073 0.000 1.197 469 W CA -1.640 55.737 57.345 0.053 0.000 1.262 469 W CB 0.535 29.976 29.460 -0.032 0.000 1.153 469 W HN -0.038 nan 8.180 nan 0.000 0.596 470 P HA 0.200 nan 4.420 nan 0.000 0.275 470 P C -0.720 176.716 177.300 0.228 0.000 1.228 470 P CA -0.200 63.038 63.100 0.229 0.000 0.786 470 P CB 0.920 32.594 31.700 -0.043 0.000 0.927 471 R N 1.269 121.895 120.500 0.211 0.000 2.532 471 R HA 0.287 4.642 4.340 0.024 0.000 0.295 471 R C 0.357 176.699 176.300 0.070 0.000 0.968 471 R CA -0.771 55.329 56.100 0.000 0.000 0.916 471 R CB 1.139 31.237 30.300 -0.337 0.000 1.124 471 R HN 0.497 nan 8.270 nan 0.000 0.463 472 E N 0.793 121.025 120.200 0.053 0.000 2.459 472 E HA -0.026 4.339 4.350 0.024 0.000 0.264 472 E C -0.508 176.119 176.600 0.045 0.000 1.055 472 E CA 0.804 57.240 56.400 0.060 0.000 0.957 472 E CB 0.527 30.253 29.700 0.042 0.000 0.952 472 E HN 0.369 nan 8.360 nan 0.000 0.448 473 T N 3.419 118.010 114.554 0.061 0.000 2.881 473 T HA 0.317 4.681 4.350 0.024 0.000 0.291 473 T C -2.450 172.276 174.700 0.044 0.000 0.990 473 T CA -1.546 60.587 62.100 0.055 0.000 0.976 473 T CB 1.461 70.373 68.868 0.074 0.000 0.970 473 T HN 0.238 nan 8.240 nan 0.000 0.438 474 P HA 0.151 nan 4.420 nan 0.000 0.266 474 P C -2.396 174.912 177.300 0.013 0.000 1.193 474 P CA -1.010 62.099 63.100 0.015 0.000 0.770 474 P CB -0.340 31.364 31.700 0.007 0.000 0.836 475 P HA 0.204 nan 4.420 nan 0.000 0.269 475 P C 0.003 177.293 177.300 -0.017 0.000 1.215 475 P CA 0.420 63.507 63.100 -0.022 0.000 0.780 475 P CB 0.694 32.362 31.700 -0.054 0.000 0.898 476 G N 1.284 110.074 108.800 -0.017 0.000 2.606 476 G HA2 0.430 4.404 3.960 0.024 0.000 0.300 476 G HA3 0.430 4.404 3.960 0.024 0.000 0.300 476 G C -2.458 172.433 174.900 -0.016 0.000 1.360 476 G CA -0.763 44.330 45.100 -0.012 0.000 0.783 476 G HN 0.147 nan 8.290 nan 0.000 0.484 477 P HA 0.095 nan 4.420 nan 0.000 0.221 477 P C 0.097 177.393 177.300 -0.007 0.000 1.150 477 P CA 1.130 64.222 63.100 -0.014 0.000 0.800 477 P CB 0.343 32.038 31.700 -0.010 0.000 0.787 478 K N -0.920 119.483 120.400 0.004 0.000 2.546 478 K HA 0.276 4.611 4.320 0.024 0.000 0.264 478 K C -0.098 176.518 176.600 0.027 0.000 0.937 478 K CA -0.859 55.438 56.287 0.016 0.000 0.833 478 K CB 2.253 34.764 32.500 0.018 0.000 1.378 478 K HN -0.309 nan 8.250 nan 0.000 0.432 479 R N -0.568 119.956 120.500 0.039 0.000 3.758 479 R HA -0.153 4.201 4.340 0.024 0.000 0.299 479 R C 0.124 176.454 176.300 0.050 0.000 1.182 479 R CA 1.079 57.209 56.100 0.050 0.000 0.809 479 R CB -2.147 28.181 30.300 0.047 0.000 1.249 479 R HN 0.946 nan 8.270 nan 0.000 0.497 480 G N -0.686 108.139 108.800 0.042 0.000 2.502 480 G HA2 0.593 4.568 3.960 0.024 0.000 0.305 480 G HA3 0.593 4.568 3.960 0.024 0.000 0.305 480 G C 0.405 175.341 174.900 0.059 0.000 1.190 480 G CA 0.094 45.218 45.100 0.039 0.000 0.933 480 G HN 0.243 nan 8.290 nan 0.000 0.503 481 G N -1.167 107.671 108.800 0.062 0.000 2.594 481 G HA2 0.385 4.360 3.960 0.024 0.000 0.243 481 G HA3 0.385 4.360 3.960 0.024 0.000 0.243 481 G C -0.583 174.378 174.900 0.101 0.000 1.229 481 G CA -0.498 44.661 45.100 0.097 0.000 0.843 481 G HN 0.467 nan 8.290 nan 0.000 0.578 482 F N 0.389 120.355 119.950 0.026 0.000 2.456 482 F HA 0.414 4.956 4.527 0.025 0.000 0.358 482 F C 0.514 176.329 175.800 0.025 0.000 1.095 482 F CA -0.219 57.792 58.000 0.018 0.000 1.216 482 F CB 0.930 39.944 39.000 0.023 0.000 1.125 482 F HN 0.450 nan 8.300 nan 0.000 0.549 483 E N 3.863 123.686 120.200 -0.627 0.000 2.275 483 E HA 0.305 4.669 4.350 0.024 0.000 0.270 483 E C -1.174 175.056 176.600 -0.617 0.000 0.882 483 E CA -0.793 55.385 56.400 -0.369 0.000 0.758 483 E CB 1.658 31.240 29.700 -0.196 0.000 1.195 483 E HN 0.626 nan 8.360 nan 0.000 0.419 484 S N 2.423 117.997 115.700 -0.210 0.000 2.562 484 S HA 0.002 4.486 4.470 0.024 0.000 0.281 484 S C -0.536 174.034 174.600 -0.049 0.000 1.333 484 S CA -0.305 57.858 58.200 -0.061 0.000 1.052 484 S CB 0.117 63.417 63.200 0.167 0.000 0.884 484 S HN 0.458 nan 8.310 nan 0.000 0.506 485 Y N 2.539 122.764 120.300 -0.125 0.000 2.717 485 Y HA -0.029 4.536 4.550 0.024 0.000 0.330 485 Y C 0.882 176.759 175.900 -0.038 0.000 1.217 485 Y CA 0.241 58.283 58.100 -0.095 0.000 1.506 485 Y CB 0.196 38.598 38.460 -0.097 0.000 1.268 485 Y HN 0.585 nan 8.280 nan 0.000 0.561 486 Q N 5.306 124.743 119.800 -0.606 0.000 3.254 486 Q HA 0.022 4.376 4.340 0.024 0.000 0.315 486 Q C -0.256 175.445 176.000 -0.498 0.000 1.405 486 Q CA -0.060 55.493 55.803 -0.417 0.000 0.966 486 Q CB -0.167 28.392 28.738 -0.299 0.000 1.706 486 Q HN 0.641 nan 8.270 nan 0.000 0.525 487 E N 1.577 121.565 120.200 -0.355 0.000 2.384 487 E HA -0.008 4.356 4.350 0.024 0.000 0.266 487 E C -0.315 176.252 176.600 -0.056 0.000 1.012 487 E CA -0.334 55.984 56.400 -0.136 0.000 0.901 487 E CB 0.686 30.456 29.700 0.116 0.000 0.967 487 E HN 0.261 nan 8.360 nan 0.000 0.435 488 R N 3.270 123.760 120.500 -0.016 0.000 2.442 488 R HA 0.181 4.535 4.340 0.024 0.000 0.291 488 R C -1.190 175.132 176.300 0.037 0.000 1.069 488 R CA -0.369 55.734 56.100 0.005 0.000 1.022 488 R CB 0.640 30.949 30.300 0.016 0.000 0.976 488 R HN 0.313 nan 8.270 nan 0.000 0.443 489 V N 4.439 124.368 119.914 0.025 0.000 2.513 489 V HA 0.416 4.551 4.120 0.024 0.000 0.299 489 V C -0.304 175.803 176.094 0.023 0.000 1.035 489 V CA -0.513 61.806 62.300 0.033 0.000 0.889 489 V CB 1.571 33.410 31.823 0.027 0.000 0.988 489 V HN 0.835 nan 8.190 nan 0.000 0.440 490 E N 2.415 122.630 120.200 0.025 0.000 2.343 490 E HA 0.599 4.964 4.350 0.024 0.000 0.288 490 E C -0.565 176.041 176.600 0.010 0.000 0.907 490 E CA -0.014 56.395 56.400 0.014 0.000 0.792 490 E CB 2.080 31.789 29.700 0.015 0.000 1.275 490 E HN 1.009 nan 8.360 nan 0.000 0.402 491 G N 2.928 111.729 108.800 0.002 0.000 2.337 491 G HA2 0.060 4.034 3.960 0.024 0.000 0.298 491 G HA3 0.060 4.034 3.960 0.024 0.000 0.298 491 G C -1.436 173.459 174.900 -0.009 0.000 1.335 491 G CA -0.932 44.165 45.100 -0.005 0.000 0.875 491 G HN 0.391 nan 8.290 nan 0.000 0.579 492 N N 0.150 118.842 118.700 -0.015 0.000 2.495 492 N HA 0.372 5.126 4.740 0.024 0.000 0.280 492 N C -0.176 175.321 175.510 -0.022 0.000 1.168 492 N CA -0.349 52.690 53.050 -0.017 0.000 0.978 492 N CB 1.202 39.678 38.487 -0.019 0.000 1.191 492 N HN 0.486 nan 8.380 nan 0.000 0.497 493 K N 0.861 121.248 120.400 -0.022 0.000 2.351 493 K HA 0.174 4.508 4.320 0.024 0.000 0.287 493 K C -0.330 176.248 176.600 -0.036 0.000 1.068 493 K CA -0.118 56.152 56.287 -0.029 0.000 0.998 493 K CB -0.118 32.366 32.500 -0.026 0.000 0.968 493 K HN 0.327 nan 8.250 nan 0.000 0.464 494 V N 0.230 120.118 119.914 -0.044 0.000 2.925 494 V HA 0.481 4.616 4.120 0.024 0.000 0.311 494 V C -0.525 175.528 176.094 -0.068 0.000 1.104 494 V CA -1.360 60.909 62.300 -0.051 0.000 0.954 494 V CB 2.045 33.839 31.823 -0.049 0.000 1.022 494 V HN 0.613 nan 8.190 nan 0.000 0.427 495 R N 2.163 122.619 120.500 -0.074 0.000 2.522 495 R HA 0.605 4.959 4.340 0.024 0.000 0.290 495 R C -0.546 175.705 176.300 -0.082 0.000 1.216 495 R CA -0.144 55.899 56.100 -0.094 0.000 1.250 495 R CB 0.866 31.096 30.300 -0.117 0.000 1.143 495 R HN 0.939 nan 8.270 nan 0.000 0.553 496 E N 1.826 121.973 120.200 -0.087 0.000 2.321 496 E HA 0.258 4.622 4.350 0.024 0.000 0.278 496 E C -1.237 175.292 176.600 -0.119 0.000 0.902 496 E CA -1.030 55.320 56.400 -0.083 0.000 0.758 496 E CB 1.554 31.212 29.700 -0.071 0.000 1.213 496 E HN 0.090 nan 8.360 nan 0.000 0.426 497 R N 1.699 122.132 120.500 -0.112 0.000 2.390 497 R HA 0.258 4.612 4.340 0.024 0.000 0.291 497 R C -0.600 175.579 176.300 -0.203 0.000 1.070 497 R CA -0.010 55.980 56.100 -0.184 0.000 1.014 497 R CB 1.292 31.545 30.300 -0.079 0.000 1.007 497 R HN 0.406 nan 8.270 nan 0.000 0.466 498 S N 4.563 120.036 115.700 -0.378 0.000 2.549 498 S HA 0.131 4.615 4.470 0.024 0.000 0.283 498 S C -1.569 173.011 174.600 -0.034 0.000 1.320 498 S CA -1.199 56.876 58.200 -0.208 0.000 1.058 498 S CB 0.671 63.706 63.200 -0.274 0.000 0.882 498 S HN 0.517 nan 8.310 nan 0.000 0.498 499 P HA -0.098 nan 4.420 nan 0.000 0.219 499 P C 1.461 178.815 177.300 0.091 0.000 1.146 499 P CA 1.119 64.243 63.100 0.040 0.000 0.808 499 P CB -0.066 31.645 31.700 0.019 0.000 0.779 500 S N -2.110 113.685 115.700 0.158 0.000 2.474 500 S HA -0.104 4.381 4.470 0.024 0.000 0.235 500 S C 1.433 176.200 174.600 0.279 0.000 0.997 500 S CA 0.832 59.157 58.200 0.209 0.000 0.949 500 S CB -1.340 62.017 63.200 0.262 0.000 0.766 500 S HN -0.011 nan 8.310 nan 0.000 0.517 501 F N 2.228 122.174 119.950 -0.008 0.000 2.789 501 F HA 0.390 4.931 4.527 0.024 0.000 0.300 501 F C 1.939 177.682 175.800 -0.095 0.000 1.132 501 F CA -0.787 57.207 58.000 -0.011 0.000 1.404 501 F CB -0.542 38.481 39.000 0.038 0.000 1.114 501 F HN 0.348 nan 8.300 nan 0.000 0.584 502 G N 0.545 109.349 108.800 0.006 0.000 3.581 502 G HA2 0.105 4.080 3.960 0.024 0.000 0.255 502 G HA3 0.105 4.080 3.960 0.024 0.000 0.255 502 G C -0.091 174.383 174.900 -0.710 0.000 1.121 502 G CA 0.110 45.022 45.100 -0.313 0.000 1.739 502 G HN 0.031 nan 8.290 nan 0.000 0.646 503 E N 0.201 119.941 120.200 -0.767 0.000 2.263 503 E HA 0.333 4.697 4.350 0.024 0.000 0.268 503 E C -0.879 175.345 176.600 -0.627 0.000 0.884 503 E CA -0.781 55.243 56.400 -0.627 0.000 0.766 503 E CB 1.535 31.104 29.700 -0.220 0.000 1.196 503 E HN 0.202 nan 8.360 nan 0.000 0.416 504 Y N 2.645 122.759 120.300 -0.310 0.000 2.432 504 Y HA 0.196 4.760 4.550 0.024 0.000 0.252 504 Y C 0.772 176.411 175.900 -0.435 0.000 1.097 504 Y CA -0.098 57.723 58.100 -0.464 0.000 1.250 504 Y CB 0.386 38.417 38.460 -0.714 0.000 1.245 504 Y HN 0.434 nan 8.280 nan 0.000 0.522 505 Y N -1.930 118.460 120.300 0.151 0.000 2.483 505 Y HA 0.163 4.728 4.550 0.024 0.000 0.258 505 Y C 2.230 178.196 175.900 0.110 0.000 1.083 505 Y CA 0.169 58.350 58.100 0.136 0.000 1.283 505 Y CB -0.148 38.392 38.460 0.134 0.000 1.178 505 Y HN -0.133 nan 8.280 nan 0.000 0.515 506 S N -0.489 115.345 115.700 0.224 0.000 2.383 506 S HA -0.167 4.318 4.470 0.024 0.000 0.227 506 S C 1.451 176.119 174.600 0.112 0.000 1.026 506 S CA 1.528 59.839 58.200 0.185 0.000 0.981 506 S CB -0.278 63.038 63.200 0.194 0.000 0.818 506 S HN 0.487 nan 8.310 nan 0.000 0.472 507 H N 1.350 120.341 119.070 -0.131 0.000 2.357 507 H HA 0.046 4.616 4.556 0.024 0.000 0.301 507 H C -0.646 174.485 175.328 -0.328 0.000 1.082 507 H CA 1.123 56.942 56.048 -0.382 0.000 1.342 507 H CB -1.687 27.624 29.762 -0.751 0.000 1.389 507 H HN 0.313 nan 8.280 nan 0.000 0.511 508 P HA -0.186 nan 4.420 nan 0.000 0.215 508 P C 1.514 178.995 177.300 0.302 0.000 1.157 508 P CA 1.705 64.953 63.100 0.247 0.000 0.874 508 P CB 0.081 31.960 31.700 0.298 0.000 0.790 509 R N -0.417 120.216 120.500 0.221 0.000 2.073 509 R HA -0.153 4.201 4.340 0.024 0.000 0.234 509 R C 2.199 178.627 176.300 0.213 0.000 1.134 509 R CA 1.336 57.570 56.100 0.224 0.000 0.952 509 R CB -1.148 29.247 30.300 0.159 0.000 0.850 509 R HN 0.062 nan 8.270 nan 0.000 0.433 510 L N 0.444 121.729 121.223 0.104 0.000 2.079 510 L HA -0.165 4.190 4.340 0.024 0.000 0.210 510 L C 1.989 178.914 176.870 0.092 0.000 1.081 510 L CA 1.754 56.618 54.840 0.041 0.000 0.752 510 L CB -0.627 41.375 42.059 -0.096 0.000 0.896 510 L HN 0.255 nan 8.230 nan 0.000 0.433 511 F N -0.904 119.068 119.950 0.036 0.000 2.084 511 F HA -0.257 4.285 4.527 0.024 0.000 0.296 511 F C 2.321 178.123 175.800 0.003 0.000 1.111 511 F CA 2.052 60.054 58.000 0.003 0.000 1.224 511 F CB -0.656 38.371 39.000 0.046 0.000 0.991 511 F HN 0.362 nan 8.300 nan 0.000 0.471 512 W N 1.482 122.791 121.300 0.015 0.000 2.317 512 W HA -0.271 4.404 4.660 0.024 0.000 0.318 512 W C 1.708 178.108 176.519 -0.197 0.000 1.227 512 W CA 1.954 59.243 57.345 -0.094 0.000 1.269 512 W CB -0.777 28.714 29.460 0.052 0.000 1.155 512 W HN 0.096 nan 8.180 nan 0.000 0.484 513 L N 1.060 122.203 121.223 -0.132 0.000 2.376 513 L HA -0.136 4.219 4.340 0.024 0.000 0.219 513 L C 2.344 179.016 176.870 -0.330 0.000 1.133 513 L CA 0.944 55.630 54.840 -0.257 0.000 0.816 513 L CB -0.617 41.428 42.059 -0.025 0.000 0.933 513 L HN -0.137 nan 8.230 nan 0.000 0.449 514 S N -1.397 114.089 115.700 -0.357 0.000 2.558 514 S HA 0.050 4.534 4.470 0.024 0.000 0.217 514 S C 0.740 175.044 174.600 -0.493 0.000 0.975 514 S CA 0.131 58.116 58.200 -0.358 0.000 0.912 514 S CB 0.042 63.059 63.200 -0.304 0.000 0.776 514 S HN 0.294 nan 8.310 nan 0.000 0.526 515 Q N 2.070 121.470 119.800 -0.667 0.000 2.260 515 Q HA 0.312 4.666 4.340 0.024 0.000 0.242 515 Q C 0.602 176.197 176.000 -0.675 0.000 0.932 515 Q CA -0.130 55.239 55.803 -0.723 0.000 0.891 515 Q CB 0.555 28.793 28.738 -0.833 0.000 1.222 515 Q HN 0.414 nan 8.270 nan 0.000 0.453 516 T N -1.971 112.137 114.554 -0.743 0.000 2.726 516 T HA 0.189 4.553 4.350 0.024 0.000 0.294 516 T C -1.776 172.444 174.700 -0.801 0.000 1.013 516 T CA -1.322 60.303 62.100 -0.791 0.000 0.996 516 T CB 0.286 68.398 68.868 -1.260 0.000 1.016 516 T HN 0.219 nan 8.240 nan 0.000 0.529 517 P HA 0.030 nan 4.420 nan 0.000 0.217 517 P C 1.418 178.506 177.300 -0.353 0.000 1.151 517 P CA 0.802 63.676 63.100 -0.377 0.000 0.828 517 P CB -0.247 31.356 31.700 -0.162 0.000 0.788 518 F N 0.160 119.915 119.950 -0.325 0.000 2.186 518 F HA -0.007 4.534 4.527 0.024 0.000 0.299 518 F C 1.782 177.226 175.800 -0.593 0.000 1.090 518 F CA 0.940 58.681 58.000 -0.431 0.000 1.307 518 F CB -1.692 37.039 39.000 -0.448 0.000 1.019 518 F HN -0.101 nan 8.300 nan 0.000 0.489 519 E N 0.588 120.186 120.200 -1.003 0.000 2.110 519 E HA -0.221 4.144 4.350 0.024 0.000 0.193 519 E C 2.217 178.619 176.600 -0.330 0.000 0.988 519 E CA 1.525 57.577 56.400 -0.580 0.000 0.804 519 E CB -0.325 28.996 29.700 -0.632 0.000 0.745 519 E HN 0.638 nan 8.360 nan 0.000 0.458 520 Q N 0.308 119.834 119.800 -0.456 0.000 2.084 520 Q HA -0.201 4.154 4.340 0.024 0.000 0.202 520 Q C 2.269 178.302 176.000 0.056 0.000 0.978 520 Q CA 1.266 56.843 55.803 -0.376 0.000 0.844 520 Q CB -0.157 28.079 28.738 -0.836 0.000 0.898 520 Q HN 0.001 nan 8.270 nan 0.000 0.426 521 R N 0.626 121.125 120.500 -0.001 0.000 2.083 521 R HA -0.166 4.189 4.340 0.024 0.000 0.237 521 R C 1.632 178.113 176.300 0.301 0.000 1.137 521 R CA 1.977 58.171 56.100 0.156 0.000 0.951 521 R CB -0.591 29.773 30.300 0.106 0.000 0.851 521 R HN 0.491 nan 8.270 nan 0.000 0.434 522 H N -0.852 118.314 119.070 0.161 0.000 2.423 522 H HA -0.013 4.558 4.556 0.024 0.000 0.297 522 H C 2.027 177.478 175.328 0.204 0.000 1.075 522 H CA 1.140 57.300 56.048 0.187 0.000 1.342 522 H CB 0.019 29.896 29.762 0.192 0.000 1.395 522 H HN 0.190 nan 8.280 nan 0.000 0.530 523 I N 0.168 120.960 120.570 0.370 0.000 2.179 523 I HA -0.252 3.932 4.170 0.024 0.000 0.242 523 I C 2.312 178.731 176.117 0.503 0.000 1.088 523 I CA 0.781 62.339 61.300 0.429 0.000 1.357 523 I CB -0.152 38.199 38.000 0.585 0.000 1.051 523 I HN 0.078 nan 8.210 nan 0.000 0.409 524 V N 0.841 121.041 119.914 0.476 0.000 2.287 524 V HA -0.324 3.811 4.120 0.024 0.000 0.248 524 V C 2.014 178.292 176.094 0.308 0.000 1.053 524 V CA 2.104 64.631 62.300 0.378 0.000 1.027 524 V CB -0.649 31.349 31.823 0.292 0.000 0.646 524 V HN 0.416 nan 8.190 nan 0.000 0.447 525 D N 0.216 120.780 120.400 0.274 0.000 2.183 525 D HA -0.060 4.594 4.640 0.024 0.000 0.203 525 D C 2.160 178.551 176.300 0.152 0.000 0.969 525 D CA 1.400 55.527 54.000 0.212 0.000 0.842 525 D CB -0.482 40.448 40.800 0.216 0.000 0.957 525 D HN 0.469 nan 8.370 nan 0.000 0.484 526 G N 0.053 108.924 108.800 0.119 0.000 2.414 526 G HA2 -0.241 3.733 3.960 0.024 0.000 0.215 526 G HA3 -0.241 3.733 3.960 0.024 0.000 0.215 526 G C 1.442 176.345 174.900 0.005 0.000 1.188 526 G CA 0.148 45.223 45.100 -0.042 0.000 0.783 526 G HN 0.166 nan 8.290 nan 0.000 0.537 527 F N 1.916 121.909 119.950 0.073 0.000 2.126 527 F HA -0.114 4.428 4.527 0.024 0.000 0.299 527 F C 3.161 178.876 175.800 -0.142 0.000 1.096 527 F CA 1.672 59.647 58.000 -0.042 0.000 1.255 527 F CB -0.308 38.674 39.000 -0.029 0.000 0.997 527 F HN 0.090 nan 8.300 nan 0.000 0.479 528 S N -0.240 115.557 115.700 0.162 0.000 2.355 528 S HA -0.199 4.286 4.470 0.024 0.000 0.222 528 S C 1.865 176.470 174.600 0.009 0.000 1.031 528 S CA 1.230 59.467 58.200 0.062 0.000 0.993 528 S CB -0.788 62.473 63.200 0.102 0.000 0.859 528 S HN 0.409 nan 8.310 nan 0.000 0.453 529 F N 2.552 122.458 119.950 -0.074 0.000 2.113 529 F HA -0.090 4.452 4.527 0.024 0.000 0.297 529 F C 2.393 178.120 175.800 -0.121 0.000 1.103 529 F CA 1.450 59.394 58.000 -0.094 0.000 1.248 529 F CB -0.218 38.660 39.000 -0.203 0.000 0.999 529 F HN 0.109 nan 8.300 nan 0.000 0.475 530 E N 0.607 120.740 120.200 -0.113 0.000 2.051 530 E HA -0.198 4.167 4.350 0.024 0.000 0.192 530 E C 2.334 178.703 176.600 -0.385 0.000 0.991 530 E CA 1.576 57.881 56.400 -0.158 0.000 0.799 530 E CB -0.503 29.260 29.700 0.105 0.000 0.748 530 E HN 0.480 nan 8.360 nan 0.000 0.449 531 L N 1.410 122.327 121.223 -0.509 0.000 2.275 531 L HA -0.126 4.228 4.340 0.024 0.000 0.215 531 L C 2.681 179.366 176.870 -0.309 0.000 1.119 531 L CA 1.018 55.545 54.840 -0.521 0.000 0.790 531 L CB -0.456 41.322 42.059 -0.469 0.000 0.919 531 L HN 0.127 nan 8.230 nan 0.000 0.443 532 S N -0.578 114.951 115.700 -0.286 0.000 2.442 532 S HA -0.120 4.365 4.470 0.024 0.000 0.236 532 S C 1.752 176.217 174.600 -0.224 0.000 1.007 532 S CA 0.711 58.770 58.200 -0.234 0.000 0.965 532 S CB -0.101 62.962 63.200 -0.229 0.000 0.773 532 S HN 0.273 nan 8.310 nan 0.000 0.504 533 K N 1.176 121.419 120.400 -0.262 0.000 2.404 533 K HA 0.351 4.686 4.320 0.024 0.000 0.194 533 K C -0.194 176.393 176.600 -0.023 0.000 1.023 533 K CA -0.026 56.176 56.287 -0.141 0.000 1.094 533 K CB 0.267 32.681 32.500 -0.143 0.000 0.841 533 K HN 0.316 nan 8.250 nan 0.000 0.523 534 V N 1.961 121.837 119.914 -0.064 0.000 2.432 534 V HA 0.030 4.165 4.120 0.024 0.000 0.271 534 V C 1.631 177.709 176.094 -0.026 0.000 1.046 534 V CA -0.125 62.169 62.300 -0.010 0.000 0.945 534 V CB 1.524 33.304 31.823 -0.072 0.000 0.992 534 V HN -0.133 nan 8.190 nan 0.000 0.471 535 V N 5.001 124.925 119.914 0.017 0.000 2.488 535 V HA 0.011 4.145 4.120 0.024 0.000 0.246 535 V C 1.291 177.379 176.094 -0.009 0.000 1.046 535 V CA 1.067 63.376 62.300 0.016 0.000 1.053 535 V CB -0.432 31.421 31.823 0.049 0.000 0.679 535 V HN 0.745 nan 8.190 nan 0.000 0.458 536 R N 1.107 121.580 120.500 -0.044 0.000 2.248 536 R HA 0.180 4.534 4.340 0.024 0.000 0.337 536 R C -1.704 174.502 176.300 -0.155 0.000 1.085 536 R CA -1.383 54.673 56.100 -0.073 0.000 0.934 536 R CB 0.628 30.834 30.300 -0.157 0.000 1.034 536 R HN 0.243 nan 8.270 nan 0.000 0.465 537 P HA -0.187 nan 4.420 nan 0.000 0.220 537 P C 0.698 177.972 177.300 -0.045 0.000 1.148 537 P CA 1.062 64.141 63.100 -0.036 0.000 0.803 537 P CB -0.009 31.703 31.700 0.020 0.000 0.782 538 Y N -1.240 119.061 120.300 0.001 0.000 2.333 538 Y HA -0.096 4.468 4.550 0.024 0.000 0.290 538 Y C 1.943 177.850 175.900 0.011 0.000 1.144 538 Y CA 0.741 58.842 58.100 0.003 0.000 1.228 538 Y CB -1.758 36.704 38.460 0.004 0.000 0.985 538 Y HN -0.120 nan 8.280 nan 0.000 0.542 539 I N 0.822 120.949 120.570 -0.739 0.000 2.252 539 I HA -0.234 3.950 4.170 0.024 0.000 0.245 539 I C 2.533 178.551 176.117 -0.164 0.000 1.102 539 I CA 1.351 62.394 61.300 -0.429 0.000 1.385 539 I CB -0.393 37.350 38.000 -0.428 0.000 1.064 539 I HN 0.187 nan 8.210 nan 0.000 0.414 540 R N 0.863 121.262 120.500 -0.169 0.000 2.083 540 R HA -0.196 4.159 4.340 0.024 0.000 0.237 540 R C 2.161 178.410 176.300 -0.084 0.000 1.137 540 R CA 1.584 57.601 56.100 -0.138 0.000 0.951 540 R CB -0.465 29.753 30.300 -0.137 0.000 0.851 540 R HN 0.437 nan 8.270 nan 0.000 0.434 541 E N 0.577 120.748 120.200 -0.047 0.000 2.049 541 E HA -0.233 4.132 4.350 0.024 0.000 0.198 541 E C 2.153 178.758 176.600 0.009 0.000 1.007 541 E CA 1.488 57.883 56.400 -0.008 0.000 0.809 541 E CB -0.111 29.610 29.700 0.035 0.000 0.749 541 E HN 0.298 nan 8.360 nan 0.000 0.450 542 R N 0.270 120.791 120.500 0.035 0.000 2.105 542 R HA -0.128 4.226 4.340 0.024 0.000 0.239 542 R C 2.423 178.752 176.300 0.049 0.000 1.135 542 R CA 1.211 57.346 56.100 0.057 0.000 0.967 542 R CB -0.319 30.033 30.300 0.087 0.000 0.861 542 R HN 0.081 nan 8.270 nan 0.000 0.442 543 V N 0.262 120.198 119.914 0.037 0.000 2.358 543 V HA -0.180 3.954 4.120 0.024 0.000 0.246 543 V C 2.291 178.375 176.094 -0.016 0.000 1.047 543 V CA 1.398 63.736 62.300 0.064 0.000 1.035 543 V CB -0.264 31.619 31.823 0.100 0.000 0.658 543 V HN 0.117 nan 8.190 nan 0.000 0.452 544 V N 0.579 120.455 119.914 -0.063 0.000 2.343 544 V HA -0.323 3.812 4.120 0.024 0.000 0.247 544 V C 2.315 178.368 176.094 -0.069 0.000 1.051 544 V CA 2.499 64.736 62.300 -0.105 0.000 1.036 544 V CB -0.675 31.090 31.823 -0.098 0.000 0.654 544 V HN 0.658 nan 8.190 nan 0.000 0.451 545 D N -0.506 119.888 120.400 -0.011 0.000 2.116 545 D HA -0.235 4.419 4.640 0.024 0.000 0.193 545 D C 2.273 178.650 176.300 0.128 0.000 0.998 545 D CA 1.688 55.713 54.000 0.042 0.000 0.836 545 D CB -0.064 40.782 40.800 0.077 0.000 0.951 545 D HN 0.535 nan 8.370 nan 0.000 0.449 546 Q N -0.398 119.464 119.800 0.103 0.000 2.084 546 Q HA -0.095 4.260 4.340 0.024 0.000 0.202 546 Q C 2.535 178.571 176.000 0.060 0.000 0.978 546 Q CA 0.806 56.687 55.803 0.130 0.000 0.844 546 Q CB -0.128 28.702 28.738 0.153 0.000 0.898 546 Q HN 0.407 nan 8.270 nan 0.000 0.426 547 L N 0.310 121.500 121.223 -0.055 0.000 2.129 547 L HA -0.225 4.129 4.340 0.024 0.000 0.212 547 L C 2.397 179.145 176.870 -0.203 0.000 1.087 547 L CA 1.047 55.770 54.840 -0.195 0.000 0.757 547 L CB -0.672 41.168 42.059 -0.365 0.000 0.896 547 L HN 0.236 nan 8.230 nan 0.000 0.434 548 A N -0.995 121.724 122.820 -0.168 0.000 2.119 548 A HA -0.167 4.167 4.320 0.024 0.000 0.217 548 A C 1.727 179.112 177.584 -0.332 0.000 1.153 548 A CA 0.999 52.895 52.037 -0.234 0.000 0.692 548 A CB -0.680 18.187 19.000 -0.221 0.000 0.799 548 A HN 0.453 nan 8.150 nan 0.000 0.458 549 H N -1.154 117.696 119.070 -0.365 0.000 2.551 549 H HA 0.241 4.812 4.556 0.024 0.000 0.266 549 H C 1.533 176.550 175.328 -0.518 0.000 0.977 549 H CA 1.022 56.704 56.048 -0.611 0.000 1.163 549 H CB 0.068 29.041 29.762 -1.316 0.000 1.381 549 H HN 0.502 nan 8.280 nan 0.000 0.581 550 I N -1.166 119.291 120.570 -0.189 0.000 2.900 550 I HA 0.079 4.263 4.170 0.024 0.000 0.251 550 I C -0.127 175.917 176.117 -0.121 0.000 1.102 550 I CA 0.453 61.721 61.300 -0.053 0.000 1.457 550 I CB 0.694 38.696 38.000 0.003 0.000 1.285 550 I HN 0.097 nan 8.210 nan 0.000 0.459 551 D N -0.746 119.509 120.400 -0.242 0.000 2.871 551 D HA 0.185 4.839 4.640 0.024 0.000 0.209 551 D C 0.346 176.471 176.300 -0.292 0.000 1.292 551 D CA -0.354 53.481 54.000 -0.274 0.000 0.869 551 D CB 1.247 41.770 40.800 -0.461 0.000 1.663 551 D HN -0.145 nan 8.370 nan 0.000 0.557 552 L N 2.393 123.507 121.223 -0.181 0.000 2.046 552 L HA -0.092 4.262 4.340 0.024 0.000 0.208 552 L C 1.748 178.531 176.870 -0.145 0.000 1.077 552 L CA 1.792 56.540 54.840 -0.154 0.000 0.747 552 L CB -0.916 41.084 42.059 -0.098 0.000 0.896 552 L HN 0.636 nan 8.230 nan 0.000 0.432 553 T N 0.531 115.026 114.554 -0.097 0.000 2.622 553 T HA -0.250 4.115 4.350 0.024 0.000 0.266 553 T C 1.852 176.470 174.700 -0.136 0.000 1.047 553 T CA 1.675 63.755 62.100 -0.032 0.000 1.159 553 T CB -0.534 68.417 68.868 0.139 0.000 0.863 553 T HN 0.196 nan 8.240 nan 0.000 0.422 554 L N 1.725 122.692 121.223 -0.427 0.000 1.997 554 L HA -0.155 4.200 4.340 0.024 0.000 0.216 554 L C 2.595 179.215 176.870 -0.416 0.000 1.074 554 L CA 2.355 56.765 54.840 -0.718 0.000 0.763 554 L CB -1.206 40.026 42.059 -1.378 0.000 0.890 554 L HN 0.256 nan 8.230 nan 0.000 0.434 555 A N -1.385 121.216 122.820 -0.364 0.000 1.902 555 A HA -0.251 4.083 4.320 0.024 0.000 0.217 555 A C 2.232 179.708 177.584 -0.179 0.000 1.181 555 A CA 1.835 53.707 52.037 -0.275 0.000 0.623 555 A CB -0.645 18.214 19.000 -0.235 0.000 0.818 555 A HN 0.704 nan 8.150 nan 0.000 0.443 556 Q N -0.896 118.822 119.800 -0.137 0.000 2.119 556 Q HA -0.091 4.263 4.340 0.024 0.000 0.201 556 Q C 2.412 178.379 176.000 -0.055 0.000 0.972 556 Q CA 1.303 57.057 55.803 -0.082 0.000 0.847 556 Q CB -0.318 28.386 28.738 -0.056 0.000 0.903 556 Q HN 0.697 nan 8.270 nan 0.000 0.433 557 A N 0.002 122.792 122.820 -0.049 0.000 1.897 557 A HA -0.099 4.235 4.320 0.024 0.000 0.215 557 A C 2.258 179.838 177.584 -0.006 0.000 1.181 557 A CA 1.041 53.079 52.037 0.002 0.000 0.620 557 A CB -0.474 18.559 19.000 0.055 0.000 0.821 557 A HN 0.199 nan 8.150 nan 0.000 0.443 558 V N -0.041 119.841 119.914 -0.055 0.000 2.307 558 V HA -0.217 3.918 4.120 0.024 0.000 0.245 558 V C 3.074 179.133 176.094 -0.058 0.000 1.045 558 V CA 1.781 64.049 62.300 -0.054 0.000 1.024 558 V CB -1.301 30.436 31.823 -0.143 0.000 0.651 558 V HN 0.600 nan 8.190 nan 0.000 0.449 559 A N -0.062 122.710 122.820 -0.079 0.000 1.903 559 A HA -0.351 3.983 4.320 0.024 0.000 0.219 559 A C 2.357 179.920 177.584 -0.034 0.000 1.191 559 A CA 2.607 54.607 52.037 -0.063 0.000 0.638 559 A CB -0.604 18.356 19.000 -0.067 0.000 0.823 559 A HN 0.531 nan 8.150 nan 0.000 0.451 560 K N -0.757 119.631 120.400 -0.021 0.000 2.057 560 K HA -0.184 4.150 4.320 0.024 0.000 0.207 560 K C 1.549 178.153 176.600 0.006 0.000 1.049 560 K CA 1.547 57.833 56.287 -0.003 0.000 0.931 560 K CB -0.224 32.281 32.500 0.009 0.000 0.714 560 K HN 0.444 nan 8.250 nan 0.000 0.440 561 N N 0.845 119.553 118.700 0.013 0.000 2.381 561 N HA -0.102 4.652 4.740 0.024 0.000 0.182 561 N C 1.362 176.875 175.510 0.005 0.000 1.025 561 N CA 0.830 53.895 53.050 0.024 0.000 0.888 561 N CB 0.031 38.546 38.487 0.045 0.000 0.965 561 N HN 0.263 nan 8.380 nan 0.000 0.438 562 L N -0.637 120.577 121.223 -0.017 0.000 2.592 562 L HA 0.233 4.588 4.340 0.024 0.000 0.227 562 L C 0.994 177.850 176.870 -0.023 0.000 1.127 562 L CA -0.068 54.753 54.840 -0.032 0.000 0.884 562 L CB -0.265 41.759 42.059 -0.059 0.000 1.065 562 L HN 0.080 nan 8.230 nan 0.000 0.457 563 G N 1.503 110.295 108.800 -0.013 0.000 2.249 563 G HA2 -0.295 3.680 3.960 0.024 0.000 0.273 563 G HA3 -0.295 3.680 3.960 0.024 0.000 0.273 563 G C 0.077 174.969 174.900 -0.013 0.000 1.036 563 G CA 0.173 45.268 45.100 -0.008 0.000 0.824 563 G HN 0.351 nan 8.290 nan 0.000 0.504 564 I N -0.166 120.391 120.570 -0.021 0.000 2.412 564 I HA 0.420 4.604 4.170 0.024 0.000 0.296 564 I C 0.284 176.386 176.117 -0.025 0.000 0.987 564 I CA -0.710 60.576 61.300 -0.024 0.000 1.180 564 I CB 1.880 39.858 38.000 -0.035 0.000 1.340 564 I HN 0.190 nan 8.210 nan 0.000 0.455 565 E N 6.680 126.867 120.200 -0.021 0.000 2.151 565 E HA 0.426 4.790 4.350 0.024 0.000 0.275 565 E C -1.014 175.568 176.600 -0.029 0.000 0.936 565 E CA -0.717 55.669 56.400 -0.023 0.000 0.777 565 E CB 1.264 30.955 29.700 -0.016 0.000 1.108 565 E HN 0.479 nan 8.360 nan 0.000 0.401 566 L N 3.357 124.557 121.223 -0.039 0.000 2.483 566 L HA 0.118 4.473 4.340 0.024 0.000 0.276 566 L C 1.061 177.908 176.870 -0.039 0.000 1.213 566 L CA -0.185 54.627 54.840 -0.047 0.000 0.843 566 L CB 0.300 42.321 42.059 -0.063 0.000 1.107 566 L HN 0.674 nan 8.230 nan 0.000 0.487 567 T N -2.608 111.923 114.554 -0.038 0.000 2.828 567 T HA 0.057 4.421 4.350 0.024 0.000 0.290 567 T C 0.798 175.475 174.700 -0.039 0.000 1.019 567 T CA -0.825 61.256 62.100 -0.032 0.000 1.031 567 T CB 1.041 69.894 68.868 -0.027 0.000 1.001 567 T HN 0.510 nan 8.240 nan 0.000 0.531 568 D N 0.799 121.179 120.400 -0.032 0.000 2.158 568 D HA -0.114 4.541 4.640 0.024 0.000 0.197 568 D C 1.581 177.854 176.300 -0.044 0.000 0.995 568 D CA 1.320 55.299 54.000 -0.034 0.000 0.846 568 D CB -0.292 40.493 40.800 -0.026 0.000 0.941 568 D HN 0.620 nan 8.370 nan 0.000 0.456 569 D N 0.540 120.914 120.400 -0.042 0.000 2.117 569 D HA -0.124 4.531 4.640 0.024 0.000 0.197 569 D C 2.147 178.397 176.300 -0.084 0.000 0.987 569 D CA 0.804 54.773 54.000 -0.052 0.000 0.829 569 D CB -0.253 40.526 40.800 -0.037 0.000 0.961 569 D HN 0.341 nan 8.370 nan 0.000 0.460 570 Q N -0.255 119.492 119.800 -0.088 0.000 2.119 570 Q HA 0.003 4.357 4.340 0.024 0.000 0.201 570 Q C 2.275 178.192 176.000 -0.138 0.000 0.972 570 Q CA 0.503 56.226 55.803 -0.133 0.000 0.847 570 Q CB -0.018 28.655 28.738 -0.108 0.000 0.903 570 Q HN 0.310 nan 8.270 nan 0.000 0.433 571 L N 0.741 121.906 121.223 -0.097 0.000 2.362 571 L HA -0.123 4.231 4.340 0.024 0.000 0.219 571 L C 1.176 177.994 176.870 -0.086 0.000 1.134 571 L CA 0.456 55.245 54.840 -0.086 0.000 0.807 571 L CB -0.070 41.953 42.059 -0.060 0.000 0.927 571 L HN 0.249 nan 8.230 nan 0.000 0.447 572 N N -0.469 118.176 118.700 -0.092 0.000 2.205 572 N HA 0.235 4.989 4.740 0.024 0.000 0.201 572 N C 0.345 175.794 175.510 -0.102 0.000 1.128 572 N CA -0.004 52.998 53.050 -0.080 0.000 0.867 572 N CB 0.701 39.153 38.487 -0.058 0.000 0.996 572 N HN 0.184 nan 8.380 nan 0.000 0.503 573 I N 1.656 122.130 120.570 -0.159 0.000 2.668 573 I HA -0.083 4.101 4.170 0.024 0.000 0.285 573 I C 1.220 177.246 176.117 -0.151 0.000 1.168 573 I CA 0.313 61.487 61.300 -0.209 0.000 1.424 573 I CB 0.498 38.239 38.000 -0.432 0.000 1.377 573 I HN -0.040 nan 8.210 nan 0.000 0.560 574 T N 7.435 121.931 114.554 -0.097 0.000 2.884 574 T HA 0.326 4.691 4.350 0.024 0.000 0.298 574 T C -1.976 172.692 174.700 -0.053 0.000 0.998 574 T CA -1.485 60.581 62.100 -0.057 0.000 1.124 574 T CB 0.874 69.728 68.868 -0.024 0.000 0.931 574 T HN 0.380 nan 8.240 nan 0.000 0.531 575 P HA 0.276 nan 4.420 nan 0.000 0.270 575 P C -2.491 174.827 177.300 0.030 0.000 1.223 575 P CA -1.284 61.805 63.100 -0.018 0.000 0.785 575 P CB -0.488 31.210 31.700 -0.003 0.000 0.923 576 P HA 0.258 nan 4.420 nan 0.000 0.272 576 P C -2.484 174.872 177.300 0.093 0.000 1.240 576 P CA -1.446 61.724 63.100 0.117 0.000 0.791 576 P CB -1.177 30.642 31.700 0.198 0.000 0.978 577 P HA 0.079 nan 4.420 nan 0.000 0.270 577 P C -0.218 177.131 177.300 0.083 0.000 1.223 577 P CA 0.221 63.368 63.100 0.080 0.000 0.785 577 P CB 0.104 31.854 31.700 0.082 0.000 0.923 578 D N -0.120 120.321 120.400 0.068 0.000 2.390 578 D HA 0.032 4.686 4.640 0.024 0.000 0.236 578 D C -0.112 176.236 176.300 0.079 0.000 1.189 578 D CA 0.214 54.251 54.000 0.061 0.000 0.887 578 D CB 0.243 41.074 40.800 0.052 0.000 1.198 578 D HN -0.037 nan 8.370 nan 0.000 0.444 579 V N 2.485 122.437 119.914 0.063 0.000 2.348 579 V HA 0.060 4.195 4.120 0.024 0.000 0.270 579 V C 0.234 176.421 176.094 0.154 0.000 1.037 579 V CA -0.527 61.841 62.300 0.113 0.000 0.872 579 V CB 0.001 31.804 31.823 -0.033 0.000 1.002 579 V HN 0.592 nan 8.190 nan 0.000 0.464 580 N N 4.516 123.325 118.700 0.181 0.000 2.707 580 N HA -0.232 4.522 4.740 0.024 0.000 0.253 580 N C 1.176 176.743 175.510 0.096 0.000 0.998 580 N CA 1.030 54.165 53.050 0.141 0.000 0.751 580 N CB -0.831 37.777 38.487 0.201 0.000 0.920 580 N HN 1.306 nan 8.380 nan 0.000 0.539 581 G N -2.493 106.352 108.800 0.075 0.000 2.168 581 G HA2 -0.323 3.651 3.960 0.024 0.000 0.263 581 G HA3 -0.323 3.651 3.960 0.024 0.000 0.263 581 G C -0.037 174.892 174.900 0.048 0.000 0.977 581 G CA 0.178 45.310 45.100 0.053 0.000 0.659 581 G HN 0.343 nan 8.290 nan 0.000 0.533 582 L N 0.115 121.371 121.223 0.055 0.000 2.331 582 L HA 0.499 4.853 4.340 0.024 0.000 0.278 582 L C 1.350 178.234 176.870 0.024 0.000 1.106 582 L CA 0.407 55.270 54.840 0.038 0.000 0.824 582 L CB 1.374 43.458 42.059 0.041 0.000 1.142 582 L HN 0.204 nan 8.230 nan 0.000 0.443 583 K N 2.720 123.129 120.400 0.015 0.000 2.358 583 K HA 0.139 4.473 4.320 0.024 0.000 0.197 583 K C -0.278 176.315 176.600 -0.013 0.000 1.025 583 K CA 0.169 56.460 56.287 0.008 0.000 1.104 583 K CB 0.391 32.895 32.500 0.008 0.000 0.855 583 K HN 0.621 nan 8.250 nan 0.000 0.531 584 K N -0.731 119.657 120.400 -0.020 0.000 2.658 584 K HA 0.265 4.599 4.320 0.024 0.000 0.293 584 K C -2.061 174.521 176.600 -0.030 0.000 1.026 584 K CA -1.032 55.226 56.287 -0.048 0.000 0.871 584 K CB 1.379 33.831 32.500 -0.080 0.000 1.524 584 K HN -0.249 nan 8.250 nan 0.000 0.400 585 D N 1.094 121.470 120.400 -0.040 0.000 2.375 585 D HA 0.316 4.971 4.640 0.024 0.000 0.241 585 D C -2.230 174.053 176.300 -0.029 0.000 1.361 585 D CA -2.002 51.993 54.000 -0.008 0.000 0.995 585 D CB 2.140 42.958 40.800 0.030 0.000 1.312 585 D HN 0.247 nan 8.370 nan 0.000 0.576 586 P HA -0.095 nan 4.420 nan 0.000 0.223 586 P C 1.203 178.492 177.300 -0.019 0.000 1.144 586 P CA 0.843 63.911 63.100 -0.053 0.000 0.783 586 P CB 0.220 31.903 31.700 -0.029 0.000 0.771 587 S N -1.471 114.251 115.700 0.037 0.000 2.555 587 S HA -0.011 4.473 4.470 0.024 0.000 0.230 587 S C 1.590 176.274 174.600 0.140 0.000 0.978 587 S CA 0.588 58.847 58.200 0.099 0.000 0.934 587 S CB -1.247 62.038 63.200 0.143 0.000 0.766 587 S HN 0.150 nan 8.310 nan 0.000 0.533 588 L N 1.097 122.361 121.223 0.068 0.000 2.509 588 L HA 0.220 4.574 4.340 0.024 0.000 0.222 588 L C 1.425 178.191 176.870 -0.173 0.000 1.123 588 L CA 0.073 54.945 54.840 0.052 0.000 0.856 588 L CB -0.233 41.852 42.059 0.044 0.000 0.985 588 L HN 0.303 nan 8.230 nan 0.000 0.456 589 S N -0.333 115.249 115.700 -0.198 0.000 2.586 589 S HA 0.289 4.774 4.470 0.024 0.000 0.274 589 S C 1.142 175.624 174.600 -0.198 0.000 1.281 589 S CA -0.618 57.409 58.200 -0.288 0.000 1.035 589 S CB 1.234 64.270 63.200 -0.273 0.000 0.962 589 S HN 0.164 nan 8.310 nan 0.000 0.512 590 L N 3.352 124.379 121.223 -0.327 0.000 2.093 590 L HA -0.034 4.320 4.340 0.024 0.000 0.208 590 L C 0.918 177.530 176.870 -0.429 0.000 1.085 590 L CA 1.280 55.828 54.840 -0.486 0.000 0.755 590 L CB -0.304 41.160 42.059 -0.991 0.000 0.904 590 L HN 0.759 nan 8.230 nan 0.000 0.435 591 Y N -2.392 117.905 120.300 -0.004 0.000 2.423 591 Y HA 0.333 4.898 4.550 0.024 0.000 0.257 591 Y C 2.171 178.099 175.900 0.047 0.000 1.087 591 Y CA -0.237 57.914 58.100 0.085 0.000 1.258 591 Y CB -0.513 38.031 38.460 0.139 0.000 1.237 591 Y HN -0.056 nan 8.280 nan 0.000 0.517 592 A N 0.855 123.706 122.820 0.052 0.000 1.927 592 A HA -0.128 4.207 4.320 0.024 0.000 0.220 592 A C 0.967 178.588 177.584 0.062 0.000 1.185 592 A CA 1.289 53.328 52.037 0.004 0.000 0.639 592 A CB -0.748 18.198 19.000 -0.089 0.000 0.820 592 A HN 0.276 nan 8.150 nan 0.000 0.451 593 I N 1.387 122.001 120.570 0.074 0.000 2.355 593 I HA 0.234 4.419 4.170 0.024 0.000 0.288 593 I C -2.357 173.833 176.117 0.123 0.000 0.999 593 I CA -2.238 59.112 61.300 0.083 0.000 1.163 593 I CB 1.551 39.588 38.000 0.062 0.000 1.316 593 I HN 0.106 nan 8.210 nan 0.000 0.454 594 P HA 0.015 nan 4.420 nan 0.000 0.261 594 P C -0.579 176.797 177.300 0.126 0.000 1.183 594 P CA 0.260 63.453 63.100 0.154 0.000 0.761 594 P CB 0.617 32.392 31.700 0.124 0.000 0.785 595 D N 1.403 121.887 120.400 0.142 0.000 2.785 595 D HA 0.153 4.807 4.640 0.024 0.000 0.324 595 D C 0.546 176.909 176.300 0.105 0.000 1.523 595 D CA -0.516 53.550 54.000 0.109 0.000 0.789 595 D CB -0.370 40.490 40.800 0.101 0.000 1.171 595 D HN 0.303 nan 8.370 nan 0.000 0.447 596 G N -0.049 108.820 108.800 0.116 0.000 2.527 596 G HA2 0.387 4.362 3.960 0.024 0.000 0.248 596 G HA3 0.387 4.362 3.960 0.024 0.000 0.248 596 G C -0.729 174.210 174.900 0.065 0.000 1.231 596 G CA -0.161 45.002 45.100 0.104 0.000 0.838 596 G HN 0.176 nan 8.290 nan 0.000 0.570 597 D N 0.341 120.772 120.400 0.051 0.000 2.763 597 D HA 0.171 4.826 4.640 0.024 0.000 0.235 597 D C 0.980 177.293 176.300 0.021 0.000 1.334 597 D CA -0.548 53.469 54.000 0.027 0.000 0.950 597 D CB 1.776 42.585 40.800 0.016 0.000 1.433 597 D HN 0.299 nan 8.370 nan 0.000 0.580 598 V N 1.899 121.819 119.914 0.009 0.000 3.306 598 V HA 0.197 4.332 4.120 0.024 0.000 0.264 598 V C 1.036 177.114 176.094 -0.027 0.000 1.149 598 V CA 0.338 62.639 62.300 0.000 0.000 1.143 598 V CB -0.694 31.124 31.823 -0.009 0.000 0.767 598 V HN 0.398 nan 8.190 nan 0.000 0.476 599 K N 1.114 121.490 120.400 -0.039 0.000 2.412 599 K HA 0.413 4.748 4.320 0.024 0.000 0.281 599 K C 1.218 177.779 176.600 -0.065 0.000 1.027 599 K CA 1.003 57.244 56.287 -0.077 0.000 0.989 599 K CB 0.259 32.720 32.500 -0.065 0.000 0.935 599 K HN 0.653 nan 8.250 nan 0.000 0.475 600 G N 3.176 111.907 108.800 -0.114 0.000 2.213 600 G HA2 -0.206 3.768 3.960 0.024 0.000 0.236 600 G HA3 -0.206 3.768 3.960 0.024 0.000 0.236 600 G C 0.085 175.040 174.900 0.091 0.000 0.991 600 G CA -0.302 44.812 45.100 0.023 0.000 0.629 600 G HN 0.562 nan 8.290 nan 0.000 0.517 601 R N -0.061 120.458 120.500 0.031 0.000 2.738 601 R HA 0.672 5.026 4.340 0.024 0.000 0.275 601 R C 0.042 176.405 176.300 0.104 0.000 1.121 601 R CA 0.047 56.194 56.100 0.079 0.000 1.207 601 R CB 0.824 31.159 30.300 0.059 0.000 1.141 601 R HN 0.698 nan 8.270 nan 0.000 0.571 602 V N 0.267 120.257 119.914 0.128 0.000 2.888 602 V HA 0.458 4.592 4.120 0.024 0.000 0.309 602 V C -1.194 174.969 176.094 0.114 0.000 1.114 602 V CA -0.729 61.660 62.300 0.149 0.000 0.940 602 V CB 2.537 34.474 31.823 0.190 0.000 1.021 602 V HN 0.356 nan 8.190 nan 0.000 0.426 603 V N 5.431 125.407 119.914 0.104 0.000 2.604 603 V HA 0.810 4.945 4.120 0.024 0.000 0.305 603 V C 0.423 176.576 176.094 0.097 0.000 1.043 603 V CA -0.215 62.137 62.300 0.086 0.000 0.888 603 V CB 1.753 33.612 31.823 0.060 0.000 0.995 603 V HN 1.194 nan 8.190 nan 0.000 0.429 604 A N 5.953 128.839 122.820 0.110 0.000 2.363 604 A HA 0.778 5.113 4.320 0.024 0.000 0.270 604 A C -0.440 177.162 177.584 0.030 0.000 1.121 604 A CA -0.210 51.879 52.037 0.086 0.000 0.800 604 A CB 0.106 19.190 19.000 0.141 0.000 1.052 604 A HN 0.759 nan 8.150 nan 0.000 0.493 605 I N 3.443 124.020 120.570 0.011 0.000 2.382 605 I HA 0.211 4.395 4.170 0.024 0.000 0.286 605 I C -0.720 175.403 176.117 0.011 0.000 1.002 605 I CA -0.235 61.074 61.300 0.014 0.000 1.135 605 I CB 1.433 39.453 38.000 0.032 0.000 1.288 605 I HN 0.487 nan 8.210 nan 0.000 0.448 606 L N 7.090 128.310 121.223 -0.004 0.000 2.283 606 L HA 0.424 4.779 4.340 0.024 0.000 0.287 606 L C 0.057 177.023 176.870 0.159 0.000 1.073 606 L CA -0.414 54.479 54.840 0.088 0.000 0.822 606 L CB 0.359 42.345 42.059 -0.122 0.000 1.186 606 L HN 0.426 nan 8.230 nan 0.000 0.436 607 L N 3.584 124.945 121.223 0.231 0.000 2.453 607 L HA 0.248 4.602 4.340 0.024 0.000 0.261 607 L C 0.165 177.213 176.870 0.297 0.000 1.179 607 L CA -0.297 54.638 54.840 0.158 0.000 0.813 607 L CB 0.850 42.904 42.059 -0.007 0.000 1.110 607 L HN 0.717 nan 8.230 nan 0.000 0.466 608 N N -1.800 116.982 118.700 0.136 0.000 2.577 608 N HA 0.228 4.982 4.740 0.024 0.000 0.285 608 N C -0.222 175.258 175.510 -0.051 0.000 1.309 608 N CA -0.803 52.366 53.050 0.197 0.000 0.798 608 N CB 0.708 39.300 38.487 0.175 0.000 1.463 608 N HN 0.535 nan 8.380 nan 0.000 0.518 609 D N -1.678 118.727 120.400 0.008 0.000 2.378 609 D HA -0.103 4.551 4.640 0.024 0.000 0.227 609 D C -0.387 175.873 176.300 -0.066 0.000 1.012 609 D CA 0.823 54.764 54.000 -0.097 0.000 0.905 609 D CB -0.092 40.724 40.800 0.028 0.000 0.895 609 D HN 0.773 nan 8.370 nan 0.000 0.532 610 E N 0.395 120.574 120.200 -0.034 0.000 3.428 610 E HA 0.211 4.575 4.350 0.024 0.000 0.286 610 E C -1.262 175.325 176.600 -0.022 0.000 1.204 610 E CA -0.357 56.026 56.400 -0.029 0.000 1.015 610 E CB 0.892 30.584 29.700 -0.013 0.000 1.370 610 E HN -0.128 nan 8.360 nan 0.000 0.391 611 V N 2.077 121.970 119.914 -0.035 0.000 2.740 611 V HA 0.100 4.235 4.120 0.024 0.000 0.303 611 V C 0.913 176.991 176.094 -0.026 0.000 1.054 611 V CA 0.076 62.362 62.300 -0.024 0.000 1.106 611 V CB 1.032 32.835 31.823 -0.034 0.000 0.957 611 V HN 0.493 nan 8.190 nan 0.000 0.486 612 R N 2.974 123.459 120.500 -0.025 0.000 2.402 612 R HA 0.026 4.380 4.340 0.024 0.000 0.331 612 R C 1.547 177.825 176.300 -0.037 0.000 1.040 612 R CA 0.506 56.587 56.100 -0.033 0.000 0.980 612 R CB 0.348 30.624 30.300 -0.041 0.000 0.967 612 R HN 1.009 nan 8.270 nan 0.000 0.440 613 S N 3.318 118.999 115.700 -0.033 0.000 2.399 613 S HA -0.185 4.299 4.470 0.024 0.000 0.231 613 S C 1.923 176.504 174.600 -0.032 0.000 1.022 613 S CA 0.875 59.056 58.200 -0.031 0.000 0.983 613 S CB -0.016 63.168 63.200 -0.027 0.000 0.803 613 S HN 0.678 nan 8.310 nan 0.000 0.480 614 A N 1.947 124.746 122.820 -0.036 0.000 1.969 614 A HA -0.062 4.273 4.320 0.024 0.000 0.218 614 A C 1.951 179.504 177.584 -0.052 0.000 1.169 614 A CA 1.489 53.503 52.037 -0.038 0.000 0.635 614 A CB -0.714 18.263 19.000 -0.038 0.000 0.810 614 A HN 0.459 nan 8.150 nan 0.000 0.445 615 D N -0.140 120.218 120.400 -0.069 0.000 2.084 615 D HA -0.115 4.540 4.640 0.024 0.000 0.194 615 D C 1.924 178.187 176.300 -0.062 0.000 0.990 615 D CA 0.820 54.759 54.000 -0.101 0.000 0.826 615 D CB -0.315 40.412 40.800 -0.121 0.000 0.971 615 D HN 0.337 nan 8.370 nan 0.000 0.453 616 L N 0.485 121.685 121.223 -0.039 0.000 2.083 616 L HA -0.133 4.221 4.340 0.024 0.000 0.209 616 L C 2.422 179.286 176.870 -0.010 0.000 1.083 616 L CA 0.740 55.570 54.840 -0.018 0.000 0.752 616 L CB -0.245 41.803 42.059 -0.017 0.000 0.899 616 L HN 0.107 nan 8.230 nan 0.000 0.433 617 L N -0.563 120.651 121.223 -0.015 0.000 2.012 617 L HA -0.234 4.120 4.340 0.024 0.000 0.210 617 L C 2.809 179.678 176.870 -0.002 0.000 1.073 617 L CA 1.409 56.244 54.840 -0.008 0.000 0.748 617 L CB -0.673 41.379 42.059 -0.012 0.000 0.891 617 L HN 0.285 nan 8.230 nan 0.000 0.431 618 A N 0.074 122.889 122.820 -0.009 0.000 1.898 618 A HA -0.159 4.175 4.320 0.024 0.000 0.216 618 A C 2.178 179.779 177.584 0.028 0.000 1.181 618 A CA 1.408 53.447 52.037 0.003 0.000 0.620 618 A CB -0.598 18.394 19.000 -0.013 0.000 0.819 618 A HN 0.333 nan 8.150 nan 0.000 0.442 619 I N -0.288 120.300 120.570 0.030 0.000 2.142 619 I HA -0.272 3.913 4.170 0.024 0.000 0.240 619 I C 2.395 178.541 176.117 0.048 0.000 1.078 619 I CA 1.332 62.672 61.300 0.067 0.000 1.343 619 I CB -0.351 37.691 38.000 0.071 0.000 1.046 619 I HN 0.276 nan 8.210 nan 0.000 0.405 620 L N 0.227 121.469 121.223 0.031 0.000 2.093 620 L HA -0.193 4.161 4.340 0.024 0.000 0.208 620 L C 2.557 179.439 176.870 0.021 0.000 1.085 620 L CA 1.308 56.164 54.840 0.027 0.000 0.755 620 L CB -0.518 41.554 42.059 0.021 0.000 0.904 620 L HN 0.203 nan 8.230 nan 0.000 0.435 621 K N 0.197 120.608 120.400 0.018 0.000 2.155 621 K HA -0.085 4.250 4.320 0.024 0.000 0.203 621 K C 2.165 178.773 176.600 0.013 0.000 1.052 621 K CA 0.950 57.245 56.287 0.013 0.000 0.948 621 K CB 0.028 32.533 32.500 0.010 0.000 0.728 621 K HN 0.252 nan 8.250 nan 0.000 0.448 622 A N 1.162 123.995 122.820 0.022 0.000 1.898 622 A HA -0.116 4.219 4.320 0.024 0.000 0.216 622 A C 2.016 179.606 177.584 0.009 0.000 1.181 622 A CA 1.105 53.155 52.037 0.022 0.000 0.620 622 A CB -0.511 18.515 19.000 0.042 0.000 0.819 622 A HN 0.251 nan 8.150 nan 0.000 0.442 623 L N -0.668 120.562 121.223 0.011 0.000 2.027 623 L HA -0.172 4.182 4.340 0.024 0.000 0.206 623 L C 2.693 179.545 176.870 -0.031 0.000 1.074 623 L CA 1.650 56.485 54.840 -0.008 0.000 0.745 623 L CB -0.489 41.573 42.059 0.006 0.000 0.898 623 L HN 0.362 nan 8.230 nan 0.000 0.433 624 K N 0.818 121.209 120.400 -0.016 0.000 2.103 624 K HA -0.191 4.143 4.320 0.024 0.000 0.207 624 K C 1.994 178.576 176.600 -0.030 0.000 1.048 624 K CA 1.593 57.867 56.287 -0.023 0.000 0.930 624 K CB -0.086 32.414 32.500 -0.001 0.000 0.716 624 K HN 0.283 nan 8.250 nan 0.000 0.444 625 A N 1.000 123.809 122.820 -0.019 0.000 2.070 625 A HA -0.096 4.238 4.320 0.024 0.000 0.220 625 A C 1.610 179.178 177.584 -0.028 0.000 1.159 625 A CA 1.300 53.327 52.037 -0.017 0.000 0.656 625 A CB -0.048 18.948 19.000 -0.007 0.000 0.800 625 A HN 0.151 nan 8.150 nan 0.000 0.453 626 K N -1.640 118.736 120.400 -0.040 0.000 2.358 626 K HA 0.242 4.577 4.320 0.024 0.000 0.200 626 K C 0.967 177.518 176.600 -0.082 0.000 1.030 626 K CA 0.587 56.845 56.287 -0.048 0.000 1.097 626 K CB 0.120 32.597 32.500 -0.037 0.000 0.862 626 K HN 0.727 nan 8.250 nan 0.000 0.534 627 G N 1.321 110.052 108.800 -0.114 0.000 2.143 627 G HA2 -0.230 3.744 3.960 0.024 0.000 0.248 627 G HA3 -0.230 3.744 3.960 0.024 0.000 0.248 627 G C 0.028 174.718 174.900 -0.350 0.000 0.991 627 G CA 0.225 45.208 45.100 -0.195 0.000 0.689 627 G HN 0.100 nan 8.290 nan 0.000 0.522 628 V N 1.025 120.782 119.914 -0.261 0.000 2.465 628 V HA 0.496 4.631 4.120 0.024 0.000 0.279 628 V C 0.822 176.752 176.094 -0.275 0.000 1.045 628 V CA -0.733 61.415 62.300 -0.253 0.000 0.938 628 V CB 1.040 32.807 31.823 -0.092 0.000 0.986 628 V HN 0.440 nan 8.190 nan 0.000 0.467 629 H N 1.833 120.916 119.070 0.021 0.000 2.509 629 H HA 0.761 5.332 4.556 0.024 0.000 0.359 629 H C 0.232 175.581 175.328 0.035 0.000 1.253 629 H CA 0.171 56.235 56.048 0.025 0.000 1.373 629 H CB 1.147 30.926 29.762 0.028 0.000 1.555 629 H HN 0.856 nan 8.280 nan 0.000 0.586 630 A N 0.910 123.834 122.820 0.174 0.000 2.498 630 A HA 0.548 4.883 4.320 0.024 0.000 0.298 630 A C -1.204 176.436 177.584 0.094 0.000 1.075 630 A CA -1.045 51.058 52.037 0.110 0.000 0.714 630 A CB 1.287 20.333 19.000 0.077 0.000 1.299 630 A HN 0.784 nan 8.150 nan 0.000 0.407 631 K N 2.192 122.640 120.400 0.079 0.000 2.463 631 K HA 0.655 4.989 4.320 0.024 0.000 0.255 631 K C -1.552 175.072 176.600 0.040 0.000 0.942 631 K CA -0.502 55.821 56.287 0.060 0.000 0.814 631 K CB 1.418 33.962 32.500 0.073 0.000 1.122 631 K HN 0.514 nan 8.250 nan 0.000 0.425 632 L N 5.217 126.453 121.223 0.023 0.000 2.315 632 L HA 0.328 4.683 4.340 0.024 0.000 0.283 632 L C -0.376 176.488 176.870 -0.009 0.000 1.089 632 L CA -0.630 54.215 54.840 0.008 0.000 0.833 632 L CB 0.132 42.189 42.059 -0.004 0.000 1.170 632 L HN 0.525 nan 8.230 nan 0.000 0.442 633 L N 3.812 125.028 121.223 -0.011 0.000 2.330 633 L HA 0.595 4.950 4.340 0.024 0.000 0.271 633 L C -0.761 176.015 176.870 -0.158 0.000 1.013 633 L CA -0.768 54.016 54.840 -0.095 0.000 0.816 633 L CB 1.881 43.889 42.059 -0.085 0.000 1.287 633 L HN 0.401 nan 8.230 nan 0.000 0.435 634 Y N -0.345 119.524 120.300 -0.718 0.000 2.896 634 Y HA 0.209 4.773 4.550 0.024 0.000 0.317 634 Y C 0.825 175.942 175.900 -1.304 0.000 1.444 634 Y CA -0.720 56.852 58.100 -0.881 0.000 1.084 634 Y CB 1.557 39.827 38.460 -0.317 0.000 1.382 634 Y HN 0.552 nan 8.280 nan 0.000 0.471 635 S N 0.568 115.420 115.700 -1.413 0.000 2.593 635 S HA 0.267 4.752 4.470 0.024 0.000 0.217 635 S C 0.004 174.339 174.600 -0.442 0.000 0.966 635 S CA 0.248 57.982 58.200 -0.775 0.000 0.914 635 S CB -0.175 62.701 63.200 -0.540 0.000 0.776 635 S HN 0.601 nan 8.310 nan 0.000 0.523 636 R N -1.012 119.287 120.500 -0.335 0.000 2.752 636 R HA 0.609 4.964 4.340 0.024 0.000 0.271 636 R C -0.808 175.486 176.300 -0.010 0.000 1.026 636 R CA -1.098 54.941 56.100 -0.102 0.000 0.901 636 R CB 0.525 30.810 30.300 -0.026 0.000 1.243 636 R HN -0.076 nan 8.270 nan 0.000 0.463 637 M N 0.402 119.997 119.600 -0.008 0.000 2.114 637 M HA 0.448 4.943 4.480 0.024 0.000 0.293 637 M C 1.046 177.361 176.300 0.026 0.000 1.201 637 M CA 1.110 56.412 55.300 0.004 0.000 1.107 637 M CB 0.475 33.070 32.600 -0.008 0.000 1.405 637 M HN 1.068 nan 8.290 nan 0.000 0.486 638 G N 1.155 109.961 108.800 0.010 0.000 2.826 638 G HA2 -0.135 3.839 3.960 0.024 0.000 0.233 638 G HA3 -0.135 3.839 3.960 0.024 0.000 0.233 638 G C -0.836 174.057 174.900 -0.012 0.000 1.296 638 G CA -0.414 44.688 45.100 0.003 0.000 1.001 638 G HN 0.629 nan 8.290 nan 0.000 0.576 639 E N -0.840 119.347 120.200 -0.023 0.000 2.393 639 E HA 0.611 4.975 4.350 0.024 0.000 0.273 639 E C -0.398 176.137 176.600 -0.108 0.000 0.918 639 E CA -0.496 55.869 56.400 -0.059 0.000 0.773 639 E CB 3.021 32.694 29.700 -0.045 0.000 1.275 639 E HN 1.226 nan 8.360 nan 0.000 0.451 640 V N -1.746 118.065 119.914 -0.172 0.000 2.960 640 V HA 0.729 4.864 4.120 0.024 0.000 0.315 640 V C -0.463 175.550 176.094 -0.136 0.000 1.087 640 V CA -0.656 61.515 62.300 -0.215 0.000 0.982 640 V CB 1.967 33.540 31.823 -0.417 0.000 1.039 640 V HN 0.626 nan 8.190 nan 0.000 0.437 641 T N 2.590 117.078 114.554 -0.110 0.000 2.771 641 T HA 0.775 5.139 4.350 0.024 0.000 0.281 641 T C 0.289 174.948 174.700 -0.069 0.000 0.982 641 T CA 0.265 62.321 62.100 -0.073 0.000 0.978 641 T CB 1.311 70.149 68.868 -0.050 0.000 0.930 641 T HN 1.343 nan 8.240 nan 0.000 0.447 642 A N 2.432 125.218 122.820 -0.057 0.000 2.296 642 A HA 0.389 4.723 4.320 0.024 0.000 0.264 642 A C 1.592 179.155 177.584 -0.035 0.000 1.097 642 A CA -0.394 51.614 52.037 -0.047 0.000 0.811 642 A CB 0.066 19.041 19.000 -0.041 0.000 1.072 642 A HN 0.919 nan 8.150 nan 0.000 0.495 643 D N 0.410 120.792 120.400 -0.030 0.000 2.149 643 D HA -0.254 4.401 4.640 0.024 0.000 0.194 643 D C 0.762 177.049 176.300 -0.022 0.000 1.001 643 D CA 1.919 55.905 54.000 -0.024 0.000 0.849 643 D CB -0.446 40.341 40.800 -0.022 0.000 0.939 643 D HN 0.633 nan 8.370 nan 0.000 0.449 644 D N -1.314 119.073 120.400 -0.023 0.000 2.328 644 D HA 0.168 4.823 4.640 0.024 0.000 0.226 644 D C 1.634 177.923 176.300 -0.020 0.000 1.066 644 D CA 0.615 54.603 54.000 -0.020 0.000 0.861 644 D CB -0.125 40.664 40.800 -0.019 0.000 0.912 644 D HN 0.477 nan 8.370 nan 0.000 0.521 645 G N -0.137 108.649 108.800 -0.023 0.000 2.175 645 G HA2 -0.264 3.710 3.960 0.024 0.000 0.244 645 G HA3 -0.264 3.710 3.960 0.024 0.000 0.244 645 G C 0.408 175.293 174.900 -0.024 0.000 0.982 645 G CA 0.256 45.343 45.100 -0.022 0.000 0.641 645 G HN 0.449 nan 8.290 nan 0.000 0.527 646 T N 1.302 115.841 114.554 -0.026 0.000 2.902 646 T HA 0.414 4.779 4.350 0.024 0.000 0.301 646 T C 0.670 175.349 174.700 -0.034 0.000 1.012 646 T CA 0.073 62.158 62.100 -0.026 0.000 1.151 646 T CB 2.202 71.055 68.868 -0.025 0.000 0.946 646 T HN 0.458 nan 8.240 nan 0.000 0.542 647 V N 5.172 125.067 119.914 -0.031 0.000 2.461 647 V HA 0.225 4.360 4.120 0.024 0.000 0.275 647 V C -0.193 175.877 176.094 -0.041 0.000 1.047 647 V CA -0.708 61.569 62.300 -0.038 0.000 0.955 647 V CB 0.907 32.713 31.823 -0.029 0.000 0.988 647 V HN 0.556 nan 8.190 nan 0.000 0.471 648 L N 8.806 129.994 121.223 -0.058 0.000 2.295 648 L HA 0.511 4.866 4.340 0.024 0.000 0.281 648 L C -2.117 174.717 176.870 -0.060 0.000 1.018 648 L CA -2.513 52.292 54.840 -0.058 0.000 0.841 648 L CB 1.460 43.471 42.059 -0.079 0.000 1.218 648 L HN 0.434 nan 8.230 nan 0.000 0.424 649 P HA 0.258 nan 4.420 nan 0.000 0.275 649 P C -0.390 176.891 177.300 -0.031 0.000 1.227 649 P CA -0.209 62.873 63.100 -0.031 0.000 0.781 649 P CB 1.267 32.957 31.700 -0.017 0.000 0.906 650 I N 2.261 122.814 120.570 -0.028 0.000 2.336 650 I HA 0.250 4.435 4.170 0.024 0.000 0.292 650 I C 1.516 177.623 176.117 -0.016 0.000 0.991 650 I CA -0.522 60.763 61.300 -0.025 0.000 1.227 650 I CB 1.669 39.661 38.000 -0.014 0.000 1.366 650 I HN 0.361 nan 8.210 nan 0.000 0.466 651 A N 5.199 128.011 122.820 -0.013 0.000 1.935 651 A HA 0.589 4.923 4.320 0.024 0.000 0.214 651 A C 0.934 178.514 177.584 -0.007 0.000 1.178 651 A CA 1.165 53.201 52.037 -0.003 0.000 0.640 651 A CB 0.052 19.059 19.000 0.011 0.000 0.825 651 A HN 0.808 nan 8.150 nan 0.000 0.447 652 A N -2.010 120.795 122.820 -0.024 0.000 2.586 652 A HA 0.563 4.898 4.320 0.024 0.000 0.291 652 A C -0.042 177.484 177.584 -0.096 0.000 1.062 652 A CA 0.074 52.093 52.037 -0.030 0.000 0.666 652 A CB -0.267 18.739 19.000 0.011 0.000 1.281 652 A HN 0.783 nan 8.150 nan 0.000 0.421 653 T N -1.473 113.018 114.554 -0.104 0.000 2.816 653 T HA 0.553 4.918 4.350 0.024 0.000 0.282 653 T C 0.938 175.566 174.700 -0.120 0.000 0.993 653 T CA 0.128 62.096 62.100 -0.220 0.000 0.994 653 T CB 0.065 68.843 68.868 -0.150 0.000 1.025 653 T HN 0.470 nan 8.240 nan 0.000 0.529 654 F N 0.562 120.524 119.950 0.020 0.000 2.126 654 F HA 0.018 4.559 4.527 0.024 0.000 0.299 654 F C 2.974 178.899 175.800 0.209 0.000 1.096 654 F CA 1.028 59.083 58.000 0.092 0.000 1.255 654 F CB -0.701 38.339 39.000 0.066 0.000 0.997 654 F HN 0.703 nan 8.300 nan 0.000 0.479 655 A N 0.296 123.284 122.820 0.280 0.000 1.968 655 A HA 0.036 4.370 4.320 0.024 0.000 0.217 655 A C 2.431 180.088 177.584 0.122 0.000 1.169 655 A CA 1.408 53.553 52.037 0.180 0.000 0.638 655 A CB -1.438 17.626 19.000 0.106 0.000 0.812 655 A HN 0.395 nan 8.150 nan 0.000 0.446 656 G N -0.831 108.024 108.800 0.093 0.000 2.422 656 G HA2 0.254 4.228 3.960 0.024 0.000 0.218 656 G HA3 0.254 4.228 3.960 0.024 0.000 0.218 656 G C 0.680 175.629 174.900 0.083 0.000 1.140 656 G CA 0.998 46.134 45.100 0.061 0.000 0.775 656 G HN 1.096 nan 8.290 nan 0.000 0.545 657 A N 0.777 123.681 122.820 0.141 0.000 3.159 657 A HA 0.689 5.023 4.320 0.024 0.000 0.330 657 A C -2.669 175.079 177.584 0.274 0.000 1.032 657 A CA -1.141 50.996 52.037 0.166 0.000 0.841 657 A CB 1.197 20.288 19.000 0.151 0.000 1.093 657 A HN 0.108 nan 8.150 nan 0.000 0.478 658 P HA 0.051 nan 4.420 nan 0.000 0.271 658 P C 1.347 178.522 177.300 -0.208 0.000 1.233 658 P CA 0.311 63.407 63.100 -0.008 0.000 0.789 658 P CB 0.776 32.439 31.700 -0.063 0.000 0.951 659 S N 0.923 116.145 115.700 -0.798 0.000 2.440 659 S HA -0.150 4.335 4.470 0.024 0.000 0.238 659 S C 1.761 176.208 174.600 -0.254 0.000 1.010 659 S CA 1.010 58.823 58.200 -0.646 0.000 0.972 659 S CB -1.353 61.319 63.200 -0.880 0.000 0.774 659 S HN 0.351 nan 8.310 nan 0.000 0.501 660 L N 1.792 122.875 121.223 -0.233 0.000 2.129 660 L HA -0.102 4.253 4.340 0.024 0.000 0.212 660 L C 2.943 179.625 176.870 -0.314 0.000 1.087 660 L CA 1.669 56.361 54.840 -0.248 0.000 0.757 660 L CB -1.478 40.409 42.059 -0.288 0.000 0.896 660 L HN 0.635 nan 8.230 nan 0.000 0.434 661 T N -3.154 111.288 114.554 -0.188 0.000 3.129 661 T HA 0.216 4.581 4.350 0.024 0.000 0.251 661 T C 0.385 175.170 174.700 0.142 0.000 1.117 661 T CA 0.174 62.239 62.100 -0.060 0.000 1.034 661 T CB -0.377 68.561 68.868 0.118 0.000 0.968 661 T HN 0.168 nan 8.240 nan 0.000 0.526 662 V N -2.800 117.160 119.914 0.077 0.000 3.126 662 V HA 0.584 4.718 4.120 0.024 0.000 0.314 662 V C -0.224 175.915 176.094 0.074 0.000 1.138 662 V CA -0.974 61.400 62.300 0.124 0.000 1.034 662 V CB 2.155 34.068 31.823 0.150 0.000 1.075 662 V HN -0.006 nan 8.190 nan 0.000 0.442 663 D N 0.836 121.285 120.400 0.081 0.000 2.367 663 D HA 0.532 5.187 4.640 0.024 0.000 0.207 663 D C 0.503 176.791 176.300 -0.020 0.000 1.034 663 D CA 1.394 55.416 54.000 0.038 0.000 0.861 663 D CB 1.565 42.411 40.800 0.076 0.000 0.943 663 D HN 1.004 nan 8.370 nan 0.000 0.515 664 A N 0.031 122.856 122.820 0.008 0.000 2.566 664 A HA 0.530 4.864 4.320 0.024 0.000 0.290 664 A C -1.673 175.932 177.584 0.035 0.000 1.071 664 A CA -0.554 51.475 52.037 -0.013 0.000 0.658 664 A CB 1.345 20.326 19.000 -0.032 0.000 1.285 664 A HN -0.110 nan 8.150 nan 0.000 0.427 665 V N 0.896 120.824 119.914 0.023 0.000 2.638 665 V HA 0.595 4.730 4.120 0.024 0.000 0.306 665 V C -0.719 175.388 176.094 0.022 0.000 1.052 665 V CA -0.216 62.113 62.300 0.049 0.000 0.885 665 V CB 1.572 33.447 31.823 0.086 0.000 0.999 665 V HN 0.712 nan 8.190 nan 0.000 0.424 666 I N 3.965 124.556 120.570 0.035 0.000 2.509 666 I HA 0.596 4.780 4.170 0.024 0.000 0.293 666 I C -0.923 175.223 176.117 0.049 0.000 1.020 666 I CA -0.994 60.352 61.300 0.077 0.000 1.088 666 I CB 2.361 40.435 38.000 0.124 0.000 1.267 666 I HN 0.281 nan 8.210 nan 0.000 0.430 667 V N 7.280 127.238 119.914 0.073 0.000 2.376 667 V HA 0.361 4.496 4.120 0.024 0.000 0.287 667 V C -2.192 173.952 176.094 0.083 0.000 1.015 667 V CA -1.555 60.771 62.300 0.044 0.000 0.834 667 V CB 1.496 33.323 31.823 0.007 0.000 1.001 667 V HN 0.558 nan 8.190 nan 0.000 0.428 668 P HA 0.395 nan 4.420 nan 0.000 0.276 668 P C -0.209 177.107 177.300 0.026 0.000 1.244 668 P CA -0.192 62.917 63.100 0.015 0.000 0.801 668 P CB 1.261 32.961 31.700 0.001 0.000 1.006 669 A N 0.872 123.683 122.820 -0.015 0.000 2.346 669 A HA 0.621 4.956 4.320 0.024 0.000 0.255 669 A C 0.846 178.433 177.584 0.004 0.000 1.113 669 A CA 0.841 52.876 52.037 -0.004 0.000 0.798 669 A CB -0.928 18.050 19.000 -0.037 0.000 1.073 669 A HN 0.867 nan 8.150 nan 0.000 0.502 670 G N -0.592 108.212 108.800 0.007 0.000 2.292 670 G HA2 -0.054 3.920 3.960 0.024 0.000 0.194 670 G HA3 -0.054 3.920 3.960 0.024 0.000 0.194 670 G C -0.274 174.634 174.900 0.013 0.000 1.329 670 G CA -0.112 44.991 45.100 0.006 0.000 1.100 670 G HN 1.038 nan 8.290 nan 0.000 0.470 671 N N 1.500 120.213 118.700 0.022 0.000 2.971 671 N HA 0.114 4.869 4.740 0.024 0.000 0.294 671 N C 1.427 176.965 175.510 0.046 0.000 1.210 671 N CA -0.581 52.485 53.050 0.026 0.000 1.157 671 N CB -0.180 38.324 38.487 0.030 0.000 1.450 671 N HN 0.365 nan 8.380 nan 0.000 0.527 672 I N 1.640 122.225 120.570 0.026 0.000 2.454 672 I HA -0.219 3.965 4.170 0.024 0.000 0.254 672 I C 2.356 178.464 176.117 -0.015 0.000 1.156 672 I CA 0.731 62.043 61.300 0.020 0.000 1.433 672 I CB -1.423 36.550 38.000 -0.045 0.000 1.082 672 I HN 0.455 nan 8.210 nan 0.000 0.432 673 A N 0.543 123.351 122.820 -0.020 0.000 2.019 673 A HA -0.252 4.083 4.320 0.024 0.000 0.219 673 A C 2.057 179.654 177.584 0.022 0.000 1.164 673 A CA 1.761 53.783 52.037 -0.024 0.000 0.644 673 A CB -0.641 18.345 19.000 -0.024 0.000 0.805 673 A HN 0.400 nan 8.150 nan 0.000 0.449 674 D N 0.562 121.002 120.400 0.067 0.000 2.149 674 D HA -0.192 4.462 4.640 0.024 0.000 0.194 674 D C 1.526 177.906 176.300 0.135 0.000 1.001 674 D CA 1.985 56.055 54.000 0.118 0.000 0.849 674 D CB -0.188 40.721 40.800 0.181 0.000 0.939 674 D HN 0.664 nan 8.370 nan 0.000 0.449 675 I N -4.283 116.381 120.570 0.157 0.000 4.227 675 I HA 0.482 4.667 4.170 0.024 0.000 0.334 675 I C 1.843 178.064 176.117 0.174 0.000 1.341 675 I CA -0.031 61.383 61.300 0.190 0.000 1.123 675 I CB 0.136 38.303 38.000 0.279 0.000 1.097 675 I HN -0.085 nan 8.210 nan 0.000 0.399 676 A N 1.425 124.267 122.820 0.037 0.000 2.024 676 A HA -0.166 4.168 4.320 0.024 0.000 0.220 676 A C 1.576 179.138 177.584 -0.036 0.000 1.164 676 A CA 2.063 54.010 52.037 -0.150 0.000 0.643 676 A CB -0.453 18.391 19.000 -0.259 0.000 0.806 676 A HN 0.526 nan 8.150 nan 0.000 0.451 677 D N -0.937 119.468 120.400 0.009 0.000 2.440 677 D HA 0.034 4.688 4.640 0.024 0.000 0.216 677 D C -0.093 176.229 176.300 0.036 0.000 1.150 677 D CA -0.184 53.824 54.000 0.014 0.000 0.832 677 D CB -0.131 40.668 40.800 -0.001 0.000 0.992 677 D HN 0.340 nan 8.370 nan 0.000 0.502 678 N N 1.081 119.814 118.700 0.057 0.000 2.411 678 N HA 0.034 4.788 4.740 0.024 0.000 0.259 678 N C 1.351 176.887 175.510 0.043 0.000 1.103 678 N CA 0.035 53.116 53.050 0.051 0.000 0.954 678 N CB 1.447 39.974 38.487 0.066 0.000 1.085 678 N HN -0.011 nan 8.380 nan 0.000 0.485 679 G N 3.276 112.102 108.800 0.043 0.000 2.442 679 G HA2 -0.259 3.715 3.960 0.024 0.000 0.219 679 G HA3 -0.259 3.715 3.960 0.024 0.000 0.219 679 G C 0.962 175.903 174.900 0.068 0.000 1.141 679 G CA 0.522 45.651 45.100 0.049 0.000 0.763 679 G HN 0.592 nan 8.290 nan 0.000 0.554 680 D N 0.898 121.339 120.400 0.069 0.000 2.144 680 D HA -0.000 4.654 4.640 0.024 0.000 0.199 680 D C 2.807 179.085 176.300 -0.036 0.000 0.984 680 D CA 1.157 55.224 54.000 0.112 0.000 0.834 680 D CB -0.435 40.499 40.800 0.224 0.000 0.955 680 D HN 0.306 nan 8.370 nan 0.000 0.465 681 A N 1.243 123.882 122.820 -0.302 0.000 1.877 681 A HA -0.198 4.137 4.320 0.024 0.000 0.216 681 A C 2.015 179.414 177.584 -0.308 0.000 1.186 681 A CA 1.336 52.989 52.037 -0.640 0.000 0.620 681 A CB -0.540 18.086 19.000 -0.624 0.000 0.822 681 A HN 0.157 nan 8.150 nan 0.000 0.443 682 N N -1.422 117.240 118.700 -0.064 0.000 2.069 682 N HA -0.210 4.545 4.740 0.024 0.000 0.191 682 N C 1.719 177.226 175.510 -0.005 0.000 1.031 682 N CA 1.920 54.982 53.050 0.021 0.000 0.852 682 N CB -0.524 38.035 38.487 0.120 0.000 1.018 682 N HN 0.693 nan 8.380 nan 0.000 0.423 683 Y N 0.564 120.831 120.300 -0.056 0.000 2.274 683 Y HA -0.259 4.306 4.550 0.024 0.000 0.290 683 Y C 2.404 178.255 175.900 -0.082 0.000 1.145 683 Y CA 1.141 59.205 58.100 -0.060 0.000 1.203 683 Y CB -0.333 38.099 38.460 -0.047 0.000 0.984 683 Y HN 0.027 nan 8.280 nan 0.000 0.533 684 Y N 0.413 120.593 120.300 -0.200 0.000 2.081 684 Y HA -0.345 4.219 4.550 0.024 0.000 0.280 684 Y C 2.110 177.819 175.900 -0.319 0.000 1.163 684 Y CA 2.260 60.212 58.100 -0.247 0.000 1.135 684 Y CB -0.527 37.790 38.460 -0.239 0.000 0.970 684 Y HN 0.112 nan 8.280 nan 0.000 0.498 685 L N -1.125 120.019 121.223 -0.132 0.000 2.056 685 L HA -0.266 4.088 4.340 0.024 0.000 0.207 685 L C 2.443 179.193 176.870 -0.201 0.000 1.078 685 L CA 1.471 56.216 54.840 -0.159 0.000 0.749 685 L CB -0.561 41.368 42.059 -0.216 0.000 0.901 685 L HN 0.300 nan 8.230 nan 0.000 0.433 686 M N -0.530 118.898 119.600 -0.288 0.000 2.117 686 M HA -0.238 4.257 4.480 0.024 0.000 0.262 686 M C 2.287 178.331 176.300 -0.427 0.000 1.065 686 M CA 1.769 56.890 55.300 -0.298 0.000 1.114 686 M CB -0.382 32.042 32.600 -0.293 0.000 1.361 686 M HN 0.212 nan 8.290 nan 0.000 0.408 687 E N 0.387 120.136 120.200 -0.752 0.000 2.072 687 E HA -0.185 4.179 4.350 0.024 0.000 0.191 687 E C 1.984 178.215 176.600 -0.616 0.000 0.985 687 E CA 1.301 57.219 56.400 -0.804 0.000 0.801 687 E CB 0.021 29.196 29.700 -0.875 0.000 0.750 687 E HN 0.484 nan 8.360 nan 0.000 0.452 688 A N 0.230 122.804 122.820 -0.410 0.000 1.930 688 A HA -0.193 4.142 4.320 0.024 0.000 0.217 688 A C 2.000 179.467 177.584 -0.195 0.000 1.175 688 A CA 1.322 53.211 52.037 -0.247 0.000 0.627 688 A CB -0.859 18.051 19.000 -0.150 0.000 0.815 688 A HN 0.520 nan 8.150 nan 0.000 0.443 689 Y N 0.644 120.782 120.300 -0.269 0.000 2.070 689 Y HA -0.260 4.305 4.550 0.024 0.000 0.280 689 Y C 2.432 178.203 175.900 -0.214 0.000 1.148 689 Y CA 2.456 60.428 58.100 -0.213 0.000 1.125 689 Y CB -0.305 38.046 38.460 -0.182 0.000 0.975 689 Y HN 0.316 nan 8.280 nan 0.000 0.492 690 K N -0.720 119.539 120.400 -0.236 0.000 2.113 690 K HA -0.247 4.087 4.320 0.024 0.000 0.208 690 K C 1.224 177.688 176.600 -0.227 0.000 1.047 690 K CA 2.163 58.290 56.287 -0.268 0.000 0.928 690 K CB -0.456 31.848 32.500 -0.326 0.000 0.716 690 K HN 0.604 nan 8.250 nan 0.000 0.446 691 H N -0.015 118.926 119.070 -0.215 0.000 2.524 691 H HA 0.190 4.760 4.556 0.024 0.000 0.280 691 H C -0.029 175.138 175.328 -0.268 0.000 1.018 691 H CA 0.210 56.134 56.048 -0.206 0.000 1.165 691 H CB 0.185 29.822 29.762 -0.209 0.000 1.411 691 H HN 0.123 nan 8.280 nan 0.000 0.569 692 L N -0.115 120.954 121.223 -0.255 0.000 4.351 692 L HA -0.256 4.098 4.340 0.024 0.000 0.410 692 L C -0.342 176.271 176.870 -0.429 0.000 1.150 692 L CA 0.518 55.124 54.840 -0.390 0.000 0.961 692 L CB -1.674 40.145 42.059 -0.399 0.000 2.130 692 L HN 0.281 nan 8.230 nan 0.000 0.787 693 K N 0.916 121.125 120.400 -0.318 0.000 2.144 693 K HA 0.473 4.808 4.320 0.024 0.000 0.270 693 K C -2.138 174.322 176.600 -0.232 0.000 1.005 693 K CA -1.785 54.337 56.287 -0.276 0.000 0.932 693 K CB 0.716 33.106 32.500 -0.182 0.000 1.021 693 K HN -0.224 nan 8.250 nan 0.000 0.462 694 P HA 0.032 nan 4.420 nan 0.000 0.265 694 P C -0.792 176.445 177.300 -0.105 0.000 1.193 694 P CA 0.466 63.467 63.100 -0.165 0.000 0.765 694 P CB 0.404 32.007 31.700 -0.161 0.000 0.823 695 I N 1.789 122.312 120.570 -0.078 0.000 2.533 695 I HA 0.617 4.802 4.170 0.024 0.000 0.290 695 I C -0.388 175.695 176.117 -0.057 0.000 1.056 695 I CA -0.856 60.420 61.300 -0.041 0.000 1.057 695 I CB 2.282 40.283 38.000 0.002 0.000 1.240 695 I HN 0.251 nan 8.210 nan 0.000 0.423 696 A N 7.486 130.284 122.820 -0.037 0.000 2.343 696 A HA 0.906 5.241 4.320 0.024 0.000 0.316 696 A C -1.132 176.571 177.584 0.198 0.000 1.104 696 A CA -0.453 51.565 52.037 -0.033 0.000 0.768 696 A CB 1.083 19.917 19.000 -0.275 0.000 1.213 696 A HN 0.667 nan 8.150 nan 0.000 0.456 697 L N 2.142 123.534 121.223 0.281 0.000 2.376 697 L HA 0.706 5.060 4.340 0.024 0.000 0.275 697 L C 0.182 177.230 176.870 0.298 0.000 0.987 697 L CA -0.582 54.412 54.840 0.257 0.000 0.828 697 L CB 1.967 44.129 42.059 0.173 0.000 1.249 697 L HN 0.786 nan 8.230 nan 0.000 0.409 698 A N 2.380 125.281 122.820 0.136 0.000 2.304 698 A HA 0.850 5.184 4.320 0.024 0.000 0.323 698 A C 0.634 178.200 177.584 -0.030 0.000 1.195 698 A CA 0.316 52.303 52.037 -0.083 0.000 0.826 698 A CB 1.159 19.943 19.000 -0.360 0.000 1.184 698 A HN 1.003 nan 8.150 nan 0.000 0.496 699 G N 2.971 111.750 108.800 -0.035 0.000 2.583 699 G HA2 -0.400 3.575 3.960 0.024 0.000 0.292 699 G HA3 -0.400 3.575 3.960 0.024 0.000 0.292 699 G C 0.451 175.352 174.900 0.003 0.000 1.203 699 G CA 1.291 46.377 45.100 -0.022 0.000 0.987 699 G HN 1.366 nan 8.290 nan 0.000 0.554 700 D N 1.008 121.405 120.400 -0.005 0.000 2.350 700 D HA 0.368 5.022 4.640 0.024 0.000 0.216 700 D C 2.304 178.606 176.300 0.002 0.000 0.968 700 D CA 1.752 55.744 54.000 -0.013 0.000 0.894 700 D CB -0.256 40.529 40.800 -0.026 0.000 0.909 700 D HN 0.926 nan 8.370 nan 0.000 0.520 701 A N 0.922 123.781 122.820 0.065 0.000 2.125 701 A HA -0.150 4.184 4.320 0.024 0.000 0.219 701 A C 2.090 179.786 177.584 0.188 0.000 1.156 701 A CA 0.728 52.878 52.037 0.188 0.000 0.671 701 A CB -0.537 18.591 19.000 0.213 0.000 0.794 701 A HN 0.146 nan 8.150 nan 0.000 0.459 702 R N -0.196 120.360 120.500 0.094 0.000 2.241 702 R HA -0.105 4.250 4.340 0.024 0.000 0.224 702 R C 1.680 177.996 176.300 0.027 0.000 1.101 702 R CA 1.317 57.462 56.100 0.075 0.000 0.995 702 R CB -0.199 30.131 30.300 0.049 0.000 0.870 702 R HN 0.539 nan 8.270 nan 0.000 0.463 703 K N -0.200 120.170 120.400 -0.050 0.000 2.209 703 K HA -0.117 4.217 4.320 0.024 0.000 0.204 703 K C 1.275 177.774 176.600 -0.169 0.000 1.048 703 K CA 1.138 57.340 56.287 -0.142 0.000 0.940 703 K CB -0.092 32.269 32.500 -0.231 0.000 0.729 703 K HN 0.168 nan 8.250 nan 0.000 0.451 704 F N 1.611 121.537 119.950 -0.039 0.000 2.494 704 F HA -0.119 4.423 4.527 0.024 0.000 0.298 704 F C 1.889 177.643 175.800 -0.078 0.000 1.106 704 F CA 0.751 58.717 58.000 -0.057 0.000 1.452 704 F CB -0.101 38.866 39.000 -0.055 0.000 1.085 704 F HN -0.044 nan 8.300 nan 0.000 0.569 705 K N 0.406 120.855 120.400 0.081 0.000 2.074 705 K HA -0.233 4.101 4.320 0.024 0.000 0.209 705 K C 2.371 178.944 176.600 -0.044 0.000 1.048 705 K CA 1.297 57.583 56.287 -0.002 0.000 0.926 705 K CB -0.423 32.072 32.500 -0.007 0.000 0.713 705 K HN 0.274 nan 8.250 nan 0.000 0.444 706 A N 0.822 123.621 122.820 -0.034 0.000 1.940 706 A HA -0.181 4.154 4.320 0.024 0.000 0.219 706 A C 2.174 179.729 177.584 -0.048 0.000 1.176 706 A CA 2.125 54.134 52.037 -0.046 0.000 0.631 706 A CB -0.976 17.996 19.000 -0.047 0.000 0.814 706 A HN 0.296 nan 8.150 nan 0.000 0.446 707 T N 0.759 115.304 114.554 -0.015 0.000 2.720 707 T HA -0.151 4.213 4.350 0.024 0.000 0.268 707 T C 1.538 176.178 174.700 -0.101 0.000 1.037 707 T CA 1.758 63.851 62.100 -0.011 0.000 1.144 707 T CB -0.524 68.393 68.868 0.081 0.000 0.864 707 T HN 0.747 nan 8.240 nan 0.000 0.444 708 I N -2.233 118.223 120.570 -0.190 0.000 3.976 708 I HA 0.352 4.536 4.170 0.024 0.000 0.337 708 I C -0.365 175.489 176.117 -0.439 0.000 1.359 708 I CA -0.441 60.601 61.300 -0.429 0.000 1.098 708 I CB 0.012 37.588 38.000 -0.707 0.000 1.027 708 I HN -0.101 nan 8.210 nan 0.000 0.394 709 K N 1.970 122.235 120.400 -0.224 0.000 3.239 709 K HA -0.111 4.224 4.320 0.024 0.000 0.270 709 K C -0.438 176.080 176.600 -0.137 0.000 1.049 709 K CA 0.443 56.642 56.287 -0.146 0.000 0.769 709 K CB -1.665 30.771 32.500 -0.107 0.000 1.305 709 K HN 0.361 nan 8.250 nan 0.000 0.469 710 I N 0.628 121.123 120.570 -0.126 0.000 2.396 710 I HA 0.264 4.449 4.170 0.024 0.000 0.292 710 I C 1.414 177.509 176.117 -0.037 0.000 0.999 710 I CA -1.020 60.235 61.300 -0.076 0.000 1.310 710 I CB 0.908 38.870 38.000 -0.063 0.000 1.404 710 I HN 0.300 nan 8.210 nan 0.000 0.496 711 A N 4.803 127.613 122.820 -0.016 0.000 2.507 711 A HA 0.056 4.390 4.320 0.024 0.000 0.235 711 A C 1.125 178.705 177.584 -0.006 0.000 1.070 711 A CA -0.137 51.895 52.037 -0.008 0.000 0.768 711 A CB 0.021 19.022 19.000 0.001 0.000 1.011 711 A HN 0.774 nan 8.150 nan 0.000 0.502 712 D N 0.298 120.695 120.400 -0.006 0.000 2.133 712 D HA -0.185 4.470 4.640 0.024 0.000 0.195 712 D C 1.820 178.121 176.300 0.002 0.000 0.997 712 D CA 1.920 55.918 54.000 -0.003 0.000 0.840 712 D CB -0.031 40.767 40.800 -0.003 0.000 0.947 712 D HN 0.784 nan 8.370 nan 0.000 0.452 713 Q N 1.022 120.824 119.800 0.003 0.000 2.482 713 Q HA 0.091 4.446 4.340 0.024 0.000 0.209 713 Q C 0.586 176.590 176.000 0.007 0.000 0.961 713 Q CA 0.951 56.757 55.803 0.005 0.000 0.945 713 Q CB -0.027 28.714 28.738 0.005 0.000 1.012 713 Q HN 0.181 nan 8.270 nan 0.000 0.515 714 G N 1.288 110.092 108.800 0.007 0.000 2.757 714 G HA2 -0.239 3.735 3.960 0.024 0.000 0.638 714 G HA3 -0.239 3.735 3.960 0.024 0.000 0.638 714 G C -1.168 173.738 174.900 0.010 0.000 1.344 714 G CA -0.168 44.937 45.100 0.009 0.000 0.855 714 G HN 0.598 nan 8.290 nan 0.000 0.537 715 E N -0.776 119.431 120.200 0.012 0.000 2.363 715 E HA 0.531 4.896 4.350 0.024 0.000 0.281 715 E C -0.717 175.883 176.600 -0.000 0.000 0.953 715 E CA -1.016 55.393 56.400 0.015 0.000 0.778 715 E CB 1.377 31.101 29.700 0.039 0.000 1.220 715 E HN 0.410 nan 8.360 nan 0.000 0.431 716 E N 1.299 121.491 120.200 -0.014 0.000 2.558 716 E HA 0.188 4.553 4.350 0.024 0.000 0.255 716 E C 0.943 177.506 176.600 -0.062 0.000 0.968 716 E CA 1.701 58.077 56.400 -0.040 0.000 0.939 716 E CB 0.824 30.498 29.700 -0.044 0.000 0.921 716 E HN 0.947 nan 8.360 nan 0.000 0.477 717 G N 2.877 111.625 108.800 -0.087 0.000 2.176 717 G HA2 -0.210 3.765 3.960 0.024 0.000 0.232 717 G HA3 -0.210 3.765 3.960 0.024 0.000 0.232 717 G C 0.149 175.001 174.900 -0.080 0.000 0.986 717 G CA -0.259 44.770 45.100 -0.118 0.000 0.643 717 G HN 0.408 nan 8.290 nan 0.000 0.522 718 I N 1.837 122.382 120.570 -0.040 0.000 2.355 718 I HA 0.481 4.665 4.170 0.024 0.000 0.288 718 I C 0.391 176.471 176.117 -0.063 0.000 0.999 718 I CA -1.176 60.108 61.300 -0.026 0.000 1.163 718 I CB 1.398 39.414 38.000 0.025 0.000 1.316 718 I HN -0.116 nan 8.210 nan 0.000 0.454 719 V N 7.396 127.236 119.914 -0.123 0.000 2.432 719 V HA 0.379 4.513 4.120 0.024 0.000 0.275 719 V C 0.163 176.206 176.094 -0.085 0.000 1.043 719 V CA -0.450 61.727 62.300 -0.205 0.000 0.925 719 V CB 1.241 32.779 31.823 -0.475 0.000 0.985 719 V HN 0.862 nan 8.190 nan 0.000 0.466 720 E N 4.403 124.627 120.200 0.041 0.000 2.308 720 E HA 0.877 5.242 4.350 0.024 0.000 0.275 720 E C -0.977 175.759 176.600 0.228 0.000 0.890 720 E CA -0.937 55.575 56.400 0.188 0.000 0.754 720 E CB 2.559 32.322 29.700 0.105 0.000 1.207 720 E HN 0.746 nan 8.360 nan 0.000 0.426 721 A N 2.056 125.041 122.820 0.275 0.000 2.599 721 A HA 0.387 4.721 4.320 0.024 0.000 0.290 721 A C -0.415 177.197 177.584 0.047 0.000 1.101 721 A CA -0.653 51.482 52.037 0.162 0.000 0.674 721 A CB 1.249 20.388 19.000 0.231 0.000 1.277 721 A HN 0.601 nan 8.150 nan 0.000 0.419 722 D N 0.525 120.932 120.400 0.012 0.000 2.182 722 D HA 0.006 4.661 4.640 0.024 0.000 0.201 722 D C 1.049 177.301 176.300 -0.081 0.000 0.986 722 D CA 2.361 56.346 54.000 -0.025 0.000 0.847 722 D CB 0.045 40.834 40.800 -0.017 0.000 0.942 722 D HN 0.786 nan 8.370 nan 0.000 0.467 723 S N -2.070 113.550 115.700 -0.133 0.000 2.607 723 S HA 0.631 5.115 4.470 0.024 0.000 0.273 723 S C 0.253 174.567 174.600 -0.477 0.000 1.148 723 S CA -0.342 57.717 58.200 -0.235 0.000 0.833 723 S CB 1.831 64.946 63.200 -0.142 0.000 1.130 723 S HN -0.052 nan 8.310 nan 0.000 0.470 724 A N 0.801 123.253 122.820 -0.614 0.000 2.255 724 A HA 0.202 4.536 4.320 0.024 0.000 0.206 724 A C 0.765 178.205 177.584 -0.241 0.000 1.193 724 A CA 0.863 52.402 52.037 -0.831 0.000 0.794 724 A CB -1.305 17.366 19.000 -0.548 0.000 0.794 724 A HN 0.900 nan 8.150 nan 0.000 0.481 725 D N -1.871 118.449 120.400 -0.133 0.000 2.496 725 D HA 0.462 5.117 4.640 0.024 0.000 0.283 725 D C 1.188 177.519 176.300 0.051 0.000 1.214 725 D CA 0.310 54.298 54.000 -0.019 0.000 1.089 725 D CB -0.444 40.338 40.800 -0.029 0.000 1.141 725 D HN 0.610 nan 8.370 nan 0.000 0.580 726 G N -0.035 108.791 108.800 0.043 0.000 2.672 726 G HA2 -0.338 3.636 3.960 0.024 0.000 0.324 726 G HA3 -0.338 3.636 3.960 0.024 0.000 0.324 726 G C 0.893 175.842 174.900 0.082 0.000 1.286 726 G CA 2.136 47.269 45.100 0.054 0.000 1.004 726 G HN 1.350 nan 8.290 nan 0.000 0.548 727 S N -0.125 115.629 115.700 0.089 0.000 2.575 727 S HA 0.325 4.809 4.470 0.024 0.000 0.215 727 S C 1.812 176.477 174.600 0.109 0.000 0.966 727 S CA 1.043 59.289 58.200 0.076 0.000 0.911 727 S CB -0.009 63.218 63.200 0.045 0.000 0.780 727 S HN 0.939 nan 8.310 nan 0.000 0.514 728 F N 2.644 122.592 119.950 -0.003 0.000 2.065 728 F HA -0.128 4.414 4.527 0.024 0.000 0.298 728 F C 2.210 178.007 175.800 -0.006 0.000 1.112 728 F CA 1.777 59.775 58.000 -0.004 0.000 1.212 728 F CB -0.227 38.772 39.000 -0.002 0.000 0.975 728 F HN 0.166 nan 8.300 nan 0.000 0.476 729 M N -0.023 119.716 119.600 0.232 0.000 2.200 729 M HA -0.150 4.344 4.480 0.024 0.000 0.265 729 M C 1.761 178.060 176.300 -0.002 0.000 1.066 729 M CA 1.274 56.635 55.300 0.102 0.000 1.127 729 M CB -1.311 31.375 32.600 0.142 0.000 1.379 729 M HN 0.130 nan 8.290 nan 0.000 0.420 730 D N 0.494 120.900 120.400 0.010 0.000 2.117 730 D HA -0.135 4.519 4.640 0.024 0.000 0.197 730 D C 1.959 178.230 176.300 -0.048 0.000 0.987 730 D CA 1.132 55.124 54.000 -0.012 0.000 0.829 730 D CB -0.105 40.695 40.800 0.001 0.000 0.961 730 D HN 0.452 nan 8.370 nan 0.000 0.460 731 E N 0.314 120.469 120.200 -0.076 0.000 2.077 731 E HA -0.111 4.253 4.350 0.024 0.000 0.193 731 E C 2.088 178.596 176.600 -0.153 0.000 0.989 731 E CA 0.188 56.521 56.400 -0.112 0.000 0.800 731 E CB -0.015 29.606 29.700 -0.131 0.000 0.746 731 E HN 0.154 nan 8.360 nan 0.000 0.452 732 L N 0.877 121.973 121.223 -0.213 0.000 2.046 732 L HA -0.161 4.194 4.340 0.024 0.000 0.208 732 L C 2.068 178.866 176.870 -0.120 0.000 1.077 732 L CA 1.558 56.273 54.840 -0.207 0.000 0.747 732 L CB -0.386 41.518 42.059 -0.259 0.000 0.896 732 L HN 0.241 nan 8.230 nan 0.000 0.432 733 L N -0.470 120.703 121.223 -0.083 0.000 2.141 733 L HA -0.188 4.167 4.340 0.024 0.000 0.209 733 L C 2.447 179.290 176.870 -0.046 0.000 1.094 733 L CA 1.414 56.223 54.840 -0.050 0.000 0.763 733 L CB -0.695 41.346 42.059 -0.030 0.000 0.908 733 L HN 0.246 nan 8.230 nan 0.000 0.437 734 T N 0.040 114.562 114.554 -0.053 0.000 2.777 734 T HA -0.112 4.253 4.350 0.024 0.000 0.266 734 T C 1.956 176.620 174.700 -0.061 0.000 1.040 734 T CA 1.085 63.158 62.100 -0.045 0.000 1.141 734 T CB -0.183 68.660 68.868 -0.042 0.000 0.868 734 T HN 0.188 nan 8.240 nan 0.000 0.444 735 L N 0.361 121.529 121.223 -0.092 0.000 2.046 735 L HA -0.093 4.262 4.340 0.024 0.000 0.208 735 L C 2.704 179.504 176.870 -0.116 0.000 1.077 735 L CA 1.334 56.099 54.840 -0.124 0.000 0.747 735 L CB -0.590 41.377 42.059 -0.154 0.000 0.896 735 L HN 0.309 nan 8.230 nan 0.000 0.432 736 M N -0.650 118.899 119.600 -0.084 0.000 2.159 736 M HA -0.167 4.327 4.480 0.024 0.000 0.263 736 M C 2.490 178.787 176.300 -0.003 0.000 1.063 736 M CA 1.722 56.992 55.300 -0.050 0.000 1.110 736 M CB -0.515 32.066 32.600 -0.031 0.000 1.374 736 M HN 0.313 nan 8.290 nan 0.000 0.411 737 A N 0.296 123.114 122.820 -0.002 0.000 2.019 737 A HA 0.020 4.355 4.320 0.024 0.000 0.219 737 A C 2.119 179.740 177.584 0.061 0.000 1.164 737 A CA 1.747 53.802 52.037 0.031 0.000 0.644 737 A CB -0.639 18.373 19.000 0.021 0.000 0.805 737 A HN 0.511 nan 8.150 nan 0.000 0.449 738 A N -2.761 120.071 122.820 0.021 0.000 2.307 738 A HA 0.383 4.717 4.320 0.024 0.000 0.218 738 A C 0.881 178.476 177.584 0.018 0.000 1.228 738 A CA 1.164 53.224 52.037 0.038 0.000 0.857 738 A CB -0.450 18.531 19.000 -0.031 0.000 0.897 738 A HN 0.942 nan 8.150 nan 0.000 0.495 739 H N -1.211 117.794 119.070 -0.108 0.000 4.856 739 H HA -0.188 4.382 4.556 0.024 0.000 0.059 739 H C 0.163 175.265 175.328 -0.376 0.000 0.596 739 H CA 2.411 58.377 56.048 -0.137 0.000 0.946 739 H CB -0.580 29.211 29.762 0.049 0.000 0.453 739 H HN 0.463 nan 8.280 nan 0.000 0.801 740 R N -0.512 119.416 120.500 -0.953 0.000 2.869 740 R HA 0.649 5.004 4.340 0.024 0.000 0.263 740 R C -0.650 174.816 176.300 -1.390 0.000 1.066 740 R CA -0.273 55.051 56.100 -1.294 0.000 0.960 740 R CB 1.482 30.738 30.300 -1.740 0.000 1.221 740 R HN 0.063 nan 8.270 nan 0.000 0.474 741 V N 2.052 121.346 119.914 -1.033 0.000 2.192 741 V HA 0.128 4.263 4.120 0.024 0.000 0.264 741 V C 0.565 176.288 176.094 -0.618 0.000 1.155 741 V CA -0.495 61.386 62.300 -0.699 0.000 1.005 741 V CB -0.127 31.430 31.823 -0.444 0.000 1.201 741 V HN 0.699 nan 8.190 nan 0.000 0.468 742 W N 1.439 122.445 121.300 -0.490 0.000 2.392 742 W HA -0.193 4.481 4.660 0.024 0.000 0.279 742 W C 2.532 178.833 176.519 -0.364 0.000 1.225 742 W CA 0.913 57.873 57.345 -0.641 0.000 1.233 742 W CB -0.389 28.238 29.460 -1.388 0.000 1.122 742 W HN 0.649 nan 8.180 nan 0.000 0.561 743 S N 0.737 116.380 115.700 -0.095 0.000 2.469 743 S HA -0.168 4.316 4.470 0.024 0.000 0.238 743 S C 1.725 176.290 174.600 -0.058 0.000 0.998 743 S CA 0.969 59.142 58.200 -0.046 0.000 0.957 743 S CB -0.427 62.745 63.200 -0.047 0.000 0.764 743 S HN 0.407 nan 8.310 nan 0.000 0.514 744 R N 0.612 121.037 120.500 -0.126 0.000 2.276 744 R HA 0.231 4.585 4.340 0.024 0.000 0.203 744 R C 1.848 178.090 176.300 -0.096 0.000 1.017 744 R CA 0.552 56.559 56.100 -0.156 0.000 1.010 744 R CB -0.380 29.717 30.300 -0.339 0.000 0.900 744 R HN 0.492 nan 8.270 nan 0.000 0.469 745 I N 1.524 122.076 120.570 -0.029 0.000 2.151 745 I HA -0.236 3.949 4.170 0.024 0.000 0.243 745 I C -0.843 175.304 176.117 0.049 0.000 1.080 745 I CA 1.379 62.705 61.300 0.043 0.000 1.339 745 I CB -0.880 37.198 38.000 0.130 0.000 1.039 745 I HN 0.153 nan 8.210 nan 0.000 0.409 746 P HA -0.138 nan 4.420 nan 0.000 0.222 746 P C 1.203 178.536 177.300 0.054 0.000 1.147 746 P CA 1.263 64.396 63.100 0.055 0.000 0.790 746 P CB 0.055 31.784 31.700 0.049 0.000 0.780 747 K N -0.291 120.137 120.400 0.046 0.000 2.228 747 K HA 0.054 4.389 4.320 0.024 0.000 0.202 747 K C 1.910 178.577 176.600 0.113 0.000 1.051 747 K CA 0.674 57.012 56.287 0.086 0.000 0.960 747 K CB -0.805 31.772 32.500 0.127 0.000 0.743 747 K HN 0.276 nan 8.250 nan 0.000 0.458 748 I N -1.865 118.738 120.570 0.055 0.000 3.059 748 I HA -0.023 4.162 4.170 0.024 0.000 0.270 748 I C 1.287 177.447 176.117 0.072 0.000 1.238 748 I CA 1.184 62.520 61.300 0.060 0.000 1.478 748 I CB -0.117 37.863 38.000 -0.034 0.000 1.097 748 I HN -0.064 nan 8.210 nan 0.000 0.455 749 D N 2.896 123.338 120.400 0.071 0.000 2.228 749 D HA -0.232 4.422 4.640 0.024 0.000 0.203 749 D C 1.899 178.242 176.300 0.072 0.000 0.988 749 D CA 1.669 55.714 54.000 0.075 0.000 0.864 749 D CB 0.125 40.970 40.800 0.075 0.000 0.928 749 D HN 0.648 nan 8.370 nan 0.000 0.469 750 K N -0.419 120.023 120.400 0.069 0.000 2.447 750 K HA 0.145 4.480 4.320 0.024 0.000 0.205 750 K C 0.532 177.167 176.600 0.058 0.000 1.059 750 K CA -0.420 55.903 56.287 0.060 0.000 1.065 750 K CB 0.325 32.857 32.500 0.053 0.000 0.885 750 K HN 0.164 nan 8.250 nan 0.000 0.545 751 I N 4.360 124.971 120.570 0.068 0.000 2.556 751 I HA 0.070 4.254 4.170 0.024 0.000 0.284 751 I C -2.072 174.076 176.117 0.051 0.000 1.114 751 I CA -2.010 59.327 61.300 0.062 0.000 1.418 751 I CB 0.997 39.051 38.000 0.091 0.000 1.394 751 I HN 0.041 nan 8.210 nan 0.000 0.552 752 P HA 0.382 nan 4.420 nan 0.000 0.241 752 P C -1.053 176.300 177.300 0.088 0.000 1.780 752 P CA -0.102 63.033 63.100 0.058 0.000 1.111 752 P CB 0.462 32.191 31.700 0.048 0.000 1.852 753 A N 0.000 122.874 122.820 0.089 0.000 2.254 753 A HA 0.000 4.334 4.320 0.024 0.000 0.244 753 A CA 0.000 52.130 52.037 0.156 0.000 0.836 753 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486