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 3afl_1_A DATA FIRST_RESID 11 DATA SEQUENCE QTLLDEPRPG SLTIGYEPSE EAQPTENPPR FSWLPDIDDG ARYVLRISTD DATA SEQUENCE PGFTDKKTLV FEDLAWNFFT PDEALPDGHY HWCYALWDQK SATAHSNWST DATA SEQUENCE VRSFEISEAL PKTPLPGRSA RHAAAQTSHP RLWLNSEQLS AFADAVAKDP DATA SEQUENCE NHCGWAEFYE KSVEPWLERP VMPEPQPYPN NTRVATLWRQ MYIDCQEVIY DATA SEQUENCE AIRHLAIAGR VLGRDDLLDA SRKWLLAVAA WDTKGATSRA YNDEAGFRVV DATA SEQUENCE VALAWGYDWL YDHLSEDERR TVRSVLLERT REVADHVIAH ARIHVFPYDS DATA SEQUENCE HAVRSLSAVL TPACIALQGE SDEAGEWLDY TVEFLATLYS PWAGTDGGWA DATA SEQUENCE EGPHYWMTGM AYLIEAANLI RSYIGYDLYQ RPFFQNTGRF PLYTKAPGTR DATA SEQUENCE RANFGDDSTL GDLPGLKLGY NVRQFAGVTG NGHYQWYFDH IKADATGTEM DATA SEQUENCE AFYNYGWWDL NFDDLVYRHD YPQVEAVSPA DLPALAVFDD IGWATIQKDM DATA SEQUENCE EDPDRHLQFV FKSSPYGSLS ASHGDQNAFV LYAHGEDLAI QSGYYVAFNS DATA SEQUENCE QMHLNWRRQT RSKNAVLIGG KGQYAEKDKA LARRAAGRIV SVEEQPGHVR DATA SEQUENCE IVGDATAAYQ VANPLVQKVL RETHFVNDSY FVIVDEVECS EPQELQWLCH DATA SEQUENCE TLGAPQTGRS SFRYNGRKAG FYGQFVYSSG GTPQISAVEG FPDIDPKEFE DATA SEQUENCE GLDIHHHVCA TVPAATRHRL VTLLVPYSLK EPKRIFSFID DQGFSTDIYF DATA SEQUENCE SDVDDERFKL SLPKQF 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.885 176.000 -0.191 0.000 1.003 11 Q CA 0.000 55.720 55.803 -0.139 0.000 1.022 11 Q CB 0.000 28.670 28.738 -0.113 0.000 1.108 12 T N 1.563 115.926 114.554 -0.320 0.000 2.795 12 T HA 0.246 4.892 4.350 0.493 0.000 0.314 12 T C 0.496 175.067 174.700 -0.214 0.000 1.069 12 T CA -0.383 61.566 62.100 -0.251 0.000 1.071 12 T CB 0.495 69.181 68.868 -0.302 0.000 0.988 12 T HN 0.495 nan 8.240 nan 0.000 0.543 13 L N 1.403 122.545 121.223 -0.136 0.000 2.371 13 L HA 0.523 5.159 4.340 0.493 0.000 0.272 13 L C -0.494 176.315 176.870 -0.101 0.000 1.124 13 L CA -0.649 54.126 54.840 -0.108 0.000 0.816 13 L CB 0.630 42.652 42.059 -0.062 0.000 1.129 13 L HN 0.572 nan 8.230 nan 0.000 0.448 14 L N 4.058 125.223 121.223 -0.097 0.000 2.275 14 L HA 0.384 5.020 4.340 0.493 0.000 0.288 14 L C -0.683 176.195 176.870 0.013 0.000 1.046 14 L CA -0.143 54.669 54.840 -0.047 0.000 0.805 14 L CB 1.046 43.043 42.059 -0.103 0.000 1.193 14 L HN 0.665 nan 8.230 nan 0.000 0.426 15 D N 3.787 124.237 120.400 0.083 0.000 2.312 15 D HA 0.146 5.082 4.640 0.493 0.000 0.252 15 D C -0.771 175.641 176.300 0.187 0.000 1.150 15 D CA 0.252 54.320 54.000 0.114 0.000 0.870 15 D CB 0.704 41.581 40.800 0.127 0.000 1.153 15 D HN 0.577 nan 8.370 nan 0.000 0.457 16 E N 4.978 125.269 120.200 0.152 0.000 2.546 16 E HA 0.239 4.884 4.350 0.493 0.000 0.227 16 E C -1.988 174.747 176.600 0.225 0.000 1.009 16 E CA -1.693 54.840 56.400 0.222 0.000 0.813 16 E CB 0.912 30.649 29.700 0.062 0.000 1.269 16 E HN 0.450 nan 8.360 nan 0.000 0.432 17 P HA 0.027 nan 4.420 nan 0.000 0.269 17 P C -0.218 177.236 177.300 0.256 0.000 1.209 17 P CA -0.161 63.068 63.100 0.216 0.000 0.776 17 P CB 0.813 32.624 31.700 0.186 0.000 0.876 18 R N 2.571 123.173 120.500 0.170 0.000 2.442 18 R HA 0.258 4.894 4.340 0.493 0.000 0.291 18 R C -1.844 174.552 176.300 0.160 0.000 1.069 18 R CA -1.241 54.959 56.100 0.167 0.000 1.022 18 R CB -0.669 29.691 30.300 0.100 0.000 0.976 18 R HN 0.442 nan 8.270 nan 0.000 0.443 19 P HA 0.090 nan 4.420 nan 0.000 0.271 19 P C -0.122 177.202 177.300 0.040 0.000 1.233 19 P CA -0.201 62.951 63.100 0.087 0.000 0.789 19 P CB 0.620 32.386 31.700 0.110 0.000 0.951 20 G N -1.225 107.571 108.800 -0.006 0.000 2.730 20 G HA2 0.410 4.666 3.960 0.493 0.000 0.289 20 G HA3 0.410 4.666 3.960 0.493 0.000 0.289 20 G C 0.755 175.634 174.900 -0.034 0.000 1.341 20 G CA -0.159 44.939 45.100 -0.004 0.000 0.932 20 G HN 0.413 nan 8.290 nan 0.000 0.481 21 S N -0.690 114.982 115.700 -0.047 0.000 2.399 21 S HA -0.031 4.734 4.470 0.493 0.000 0.231 21 S C 1.550 176.041 174.600 -0.182 0.000 1.022 21 S CA 0.814 58.946 58.200 -0.113 0.000 0.983 21 S CB -0.222 62.906 63.200 -0.119 0.000 0.803 21 S HN 0.335 nan 8.310 nan 0.000 0.480 22 L N 2.068 123.241 121.223 -0.084 0.000 2.910 22 L HA 0.311 4.947 4.340 0.493 0.000 0.252 22 L C 0.797 177.765 176.870 0.163 0.000 1.195 22 L CA -0.203 54.619 54.840 -0.029 0.000 1.003 22 L CB 0.071 42.160 42.059 0.050 0.000 1.328 22 L HN 0.419 nan 8.230 nan 0.000 0.540 23 T N -2.299 112.252 114.554 -0.004 0.000 2.937 23 T HA 0.632 5.278 4.350 0.493 0.000 0.283 23 T C 0.288 174.904 174.700 -0.140 0.000 1.012 23 T CA -0.766 61.205 62.100 -0.215 0.000 0.997 23 T CB 1.747 70.413 68.868 -0.335 0.000 1.136 23 T HN 0.091 nan 8.240 nan 0.000 0.551 24 I N -0.796 119.611 120.570 -0.270 0.000 3.269 24 I HA 0.714 5.180 4.170 0.493 0.000 0.287 24 I C 0.798 176.767 176.117 -0.247 0.000 1.152 24 I CA -0.796 60.342 61.300 -0.271 0.000 1.263 24 I CB -0.175 37.620 38.000 -0.341 0.000 1.439 24 I HN 0.850 nan 8.210 nan 0.000 0.637 25 G N 0.476 109.146 108.800 -0.217 0.000 2.932 25 G HA2 0.576 4.831 3.960 0.493 0.000 0.283 25 G HA3 0.576 4.831 3.960 0.493 0.000 0.283 25 G C -1.765 173.030 174.900 -0.173 0.000 1.336 25 G CA -0.787 44.222 45.100 -0.152 0.000 1.056 25 G HN 0.541 nan 8.290 nan 0.000 0.522 26 Y N 0.741 121.125 120.300 0.140 0.000 2.425 26 Y HA 0.433 5.282 4.550 0.498 0.000 0.347 26 Y C 0.666 176.747 175.900 0.301 0.000 0.976 26 Y CA -0.153 58.121 58.100 0.290 0.000 1.190 26 Y CB 0.958 39.608 38.460 0.316 0.000 1.136 26 Y HN 0.256 nan 8.280 nan 0.000 0.517 27 E N 5.760 126.205 120.200 0.409 0.000 2.293 27 E HA 0.379 5.025 4.350 0.493 0.000 0.270 27 E C -2.815 173.774 176.600 -0.018 0.000 0.879 27 E CA -2.293 54.211 56.400 0.172 0.000 0.756 27 E CB 2.826 32.488 29.700 -0.064 0.000 1.208 27 E HN 0.254 nan 8.360 nan 0.000 0.428 28 P HA 0.194 nan 4.420 nan 0.000 0.283 28 P C -0.885 176.649 177.300 0.390 0.000 1.271 28 P CA -0.427 62.635 63.100 -0.064 0.000 0.841 28 P CB 1.462 32.892 31.700 -0.449 0.000 1.122 29 S N -0.988 114.887 115.700 0.292 0.000 2.671 29 S HA 0.322 5.088 4.470 0.493 0.000 0.277 29 S C 1.000 175.737 174.600 0.228 0.000 1.165 29 S CA -0.487 57.912 58.200 0.331 0.000 0.822 29 S CB 1.362 64.729 63.200 0.278 0.000 1.150 29 S HN 0.272 nan 8.310 nan 0.000 0.479 30 E N 0.519 120.839 120.200 0.201 0.000 2.130 30 E HA -0.134 4.512 4.350 0.493 0.000 0.196 30 E C 1.384 178.052 176.600 0.113 0.000 0.998 30 E CA 1.728 58.214 56.400 0.144 0.000 0.806 30 E CB -0.183 29.597 29.700 0.133 0.000 0.738 30 E HN 0.688 nan 8.360 nan 0.000 0.459 31 E N -0.884 119.384 120.200 0.114 0.000 2.274 31 E HA 0.059 4.704 4.350 0.493 0.000 0.194 31 E C -0.457 176.187 176.600 0.074 0.000 0.996 31 E CA 0.944 57.397 56.400 0.088 0.000 0.840 31 E CB 0.500 30.254 29.700 0.090 0.000 0.772 31 E HN 0.208 nan 8.360 nan 0.000 0.491 32 A N 0.816 123.686 122.820 0.084 0.000 2.876 32 A HA 0.236 4.851 4.320 0.493 0.000 0.309 32 A C -0.761 176.844 177.584 0.035 0.000 1.168 32 A CA -0.805 51.260 52.037 0.046 0.000 0.762 32 A CB 0.555 19.573 19.000 0.029 0.000 1.262 32 A HN -0.139 nan 8.150 nan 0.000 0.435 33 Q N 2.336 122.157 119.800 0.035 0.000 2.392 33 Q HA 0.271 4.907 4.340 0.493 0.000 0.262 33 Q C -2.158 173.822 176.000 -0.035 0.000 1.003 33 Q CA -1.283 54.541 55.803 0.035 0.000 0.888 33 Q CB 0.562 29.329 28.738 0.049 0.000 1.260 33 Q HN 0.567 nan 8.270 nan 0.000 0.435 34 P HA 0.072 nan 4.420 nan 0.000 0.271 34 P C -0.220 177.021 177.300 -0.099 0.000 1.216 34 P CA 0.041 63.037 63.100 -0.173 0.000 0.771 34 P CB 0.570 32.107 31.700 -0.272 0.000 0.864 35 T N 0.370 114.856 114.554 -0.112 0.000 3.086 35 T HA 0.151 4.797 4.350 0.493 0.000 0.250 35 T C 0.338 175.001 174.700 -0.061 0.000 1.074 35 T CA 0.248 62.309 62.100 -0.065 0.000 0.988 35 T CB 0.171 69.006 68.868 -0.056 0.000 0.988 35 T HN 0.461 nan 8.240 nan 0.000 0.530 36 E N 1.197 121.337 120.200 -0.100 0.000 2.367 36 E HA 0.466 5.112 4.350 0.493 0.000 0.273 36 E C -1.228 175.313 176.600 -0.098 0.000 0.903 36 E CA -0.926 55.425 56.400 -0.082 0.000 0.764 36 E CB 1.369 31.016 29.700 -0.089 0.000 1.252 36 E HN -0.111 nan 8.360 nan 0.000 0.446 37 N N 2.412 121.081 118.700 -0.052 0.000 2.443 37 N HA 0.344 5.379 4.740 0.493 0.000 0.269 37 N C -2.756 172.736 175.510 -0.030 0.000 0.985 37 N CA -2.109 50.915 53.050 -0.042 0.000 0.921 37 N CB 1.525 40.013 38.487 0.002 0.000 1.195 37 N HN 0.176 nan 8.380 nan 0.000 0.492 38 P HA 0.362 nan 4.420 nan 0.000 0.277 38 P C -2.745 174.424 177.300 -0.218 0.000 1.240 38 P CA -1.291 61.756 63.100 -0.088 0.000 0.798 38 P CB 0.255 31.936 31.700 -0.033 0.000 0.979 39 P HA 0.136 nan 4.420 nan 0.000 0.269 39 P C -0.192 176.632 177.300 -0.793 0.000 1.217 39 P CA 0.236 62.890 63.100 -0.744 0.000 0.783 39 P CB 0.265 31.127 31.700 -1.397 0.000 0.898 40 R N 1.619 121.691 120.500 -0.713 0.000 2.221 40 R HA 0.428 5.063 4.340 0.493 0.000 0.327 40 R C -0.759 175.136 176.300 -0.675 0.000 1.033 40 R CA -0.139 55.644 56.100 -0.529 0.000 0.887 40 R CB -0.715 29.365 30.300 -0.367 0.000 1.057 40 R HN 0.381 nan 8.270 nan 0.000 0.455 41 F N 1.396 121.157 119.950 -0.315 0.000 2.411 41 F HA 0.438 5.259 4.527 0.491 0.000 0.352 41 F C 0.456 176.176 175.800 -0.133 0.000 1.123 41 F CA -0.333 57.498 58.000 -0.283 0.000 1.044 41 F CB 1.634 40.505 39.000 -0.215 0.000 1.135 41 F HN 0.461 nan 8.300 nan 0.000 0.461 42 S N 2.927 118.686 115.700 0.098 0.000 2.549 42 S HA 0.836 5.602 4.470 0.493 0.000 0.280 42 S C -1.501 173.215 174.600 0.192 0.000 1.109 42 S CA -0.791 57.352 58.200 -0.095 0.000 0.905 42 S CB 1.550 64.615 63.200 -0.224 0.000 1.081 42 S HN 0.711 nan 8.310 nan 0.000 0.477 43 W N 0.847 122.074 121.300 -0.122 0.000 3.118 43 W HA 0.739 5.701 4.660 0.503 0.000 0.328 43 W C -2.117 174.181 176.519 -0.368 0.000 1.239 43 W CA -1.423 55.751 57.345 -0.286 0.000 1.176 43 W CB 0.485 29.727 29.460 -0.364 0.000 1.433 43 W HN 0.629 nan 8.180 nan 0.000 0.562 44 L N 4.069 125.117 121.223 -0.291 0.000 2.397 44 L HA 0.362 4.998 4.340 0.493 0.000 0.271 44 L C -1.410 175.579 176.870 0.198 0.000 1.148 44 L CA -1.754 53.013 54.840 -0.122 0.000 0.825 44 L CB 0.439 42.419 42.059 -0.132 0.000 1.117 44 L HN 0.174 nan 8.230 nan 0.000 0.456 45 P HA 0.067 nan 4.420 nan 0.000 0.274 45 P C -0.903 176.656 177.300 0.433 0.000 1.246 45 P CA -0.459 62.868 63.100 0.377 0.000 0.795 45 P CB 0.801 32.708 31.700 0.344 0.000 1.006 46 D N -0.335 120.392 120.400 0.546 0.000 2.393 46 D HA -0.006 4.930 4.640 0.493 0.000 0.246 46 D C 1.289 177.743 176.300 0.257 0.000 1.275 46 D CA -0.289 53.940 54.000 0.382 0.000 0.979 46 D CB 0.193 41.203 40.800 0.350 0.000 1.101 46 D HN 0.143 nan 8.370 nan 0.000 0.505 47 I N 0.397 121.077 120.570 0.183 0.000 2.394 47 I HA -0.109 4.357 4.170 0.493 0.000 0.251 47 I C 0.445 176.638 176.117 0.126 0.000 1.136 47 I CA 1.087 62.470 61.300 0.138 0.000 1.425 47 I CB -0.265 37.795 38.000 0.100 0.000 1.079 47 I HN 0.341 nan 8.210 nan 0.000 0.425 48 D N 0.529 121.001 120.400 0.120 0.000 2.470 48 D HA -0.049 4.886 4.640 0.493 0.000 0.226 48 D C 1.020 177.383 176.300 0.105 0.000 1.196 48 D CA 0.092 54.147 54.000 0.092 0.000 0.979 48 D CB 0.266 41.106 40.800 0.068 0.000 1.059 48 D HN 0.216 nan 8.370 nan 0.000 0.515 49 D N 2.277 122.747 120.400 0.117 0.000 2.203 49 D HA -0.127 4.809 4.640 0.493 0.000 0.199 49 D C 0.869 177.238 176.300 0.115 0.000 0.997 49 D CA 0.907 54.993 54.000 0.144 0.000 0.863 49 D CB 0.050 40.932 40.800 0.138 0.000 0.928 49 D HN 0.447 nan 8.370 nan 0.000 0.458 50 G N -0.437 108.400 108.800 0.061 0.000 2.807 50 G HA2 0.562 4.817 3.960 0.493 0.000 0.316 50 G HA3 0.562 4.817 3.960 0.493 0.000 0.316 50 G C -0.745 174.138 174.900 -0.027 0.000 0.900 50 G CA 0.203 45.310 45.100 0.011 0.000 1.499 50 G HN 0.337 nan 8.290 nan 0.000 0.484 51 A N 3.181 125.965 122.820 -0.060 0.000 2.539 51 A HA 0.912 5.527 4.320 0.493 0.000 0.296 51 A C -0.303 177.108 177.584 -0.287 0.000 1.073 51 A CA -0.961 50.974 52.037 -0.169 0.000 0.700 51 A CB 1.816 20.694 19.000 -0.202 0.000 1.296 51 A HN 0.584 nan 8.150 nan 0.000 0.405 52 R N 0.170 120.498 120.500 -0.287 0.000 2.740 52 R HA 0.635 5.271 4.340 0.493 0.000 0.282 52 R C -1.614 174.572 176.300 -0.189 0.000 0.969 52 R CA -0.449 55.552 56.100 -0.165 0.000 0.918 52 R CB 1.669 31.994 30.300 0.040 0.000 1.175 52 R HN 0.707 nan 8.270 nan 0.000 0.464 53 Y N -0.186 120.235 120.300 0.202 0.000 2.567 53 Y HA 0.608 5.453 4.550 0.491 0.000 0.333 53 Y C -0.159 175.768 175.900 0.044 0.000 1.106 53 Y CA -1.007 57.220 58.100 0.213 0.000 1.157 53 Y CB 1.773 40.449 38.460 0.359 0.000 1.277 53 Y HN 0.190 nan 8.280 nan 0.000 0.490 54 V N 3.196 123.231 119.914 0.202 0.000 2.638 54 V HA 0.628 5.043 4.120 0.493 0.000 0.306 54 V C -1.768 174.437 176.094 0.185 0.000 1.052 54 V CA -0.814 61.504 62.300 0.030 0.000 0.885 54 V CB 1.776 33.619 31.823 0.035 0.000 0.999 54 V HN 0.667 nan 8.190 nan 0.000 0.424 55 L N 7.081 128.399 121.223 0.159 0.000 2.341 55 L HA 0.709 5.345 4.340 0.493 0.000 0.278 55 L C -0.258 176.791 176.870 0.298 0.000 1.005 55 L CA -0.174 54.802 54.840 0.228 0.000 0.818 55 L CB 1.571 43.664 42.059 0.056 0.000 1.259 55 L HN 0.683 nan 8.230 nan 0.000 0.418 56 R N 5.324 126.009 120.500 0.309 0.000 2.514 56 R HA 0.737 5.373 4.340 0.493 0.000 0.301 56 R C -1.347 175.268 176.300 0.524 0.000 0.962 56 R CA -0.689 55.558 56.100 0.245 0.000 0.882 56 R CB 1.757 31.939 30.300 -0.197 0.000 1.143 56 R HN 0.619 nan 8.270 nan 0.000 0.452 57 I N 0.532 121.409 120.570 0.512 0.000 2.619 57 I HA 0.328 4.793 4.170 0.493 0.000 0.292 57 I C -0.608 175.737 176.117 0.380 0.000 1.100 57 I CA -0.438 61.205 61.300 0.571 0.000 1.043 57 I CB 2.390 40.706 38.000 0.528 0.000 1.239 57 I HN 0.452 nan 8.210 nan 0.000 0.420 58 S N 1.287 117.127 115.700 0.233 0.000 2.543 58 S HA 0.286 5.052 4.470 0.493 0.000 0.274 58 S C 0.504 175.041 174.600 -0.105 0.000 1.149 58 S CA -0.118 58.072 58.200 -0.016 0.000 0.866 58 S CB 1.509 64.510 63.200 -0.333 0.000 1.111 58 S HN 0.812 nan 8.310 nan 0.000 0.457 59 T N -0.165 114.266 114.554 -0.206 0.000 3.023 59 T HA 0.071 4.717 4.350 0.493 0.000 0.266 59 T C 0.425 175.038 174.700 -0.145 0.000 1.093 59 T CA 0.831 62.720 62.100 -0.352 0.000 1.129 59 T CB -0.416 68.212 68.868 -0.400 0.000 0.899 59 T HN 0.511 nan 8.240 nan 0.000 0.491 60 D N 3.146 123.451 120.400 -0.157 0.000 2.317 60 D HA 0.217 5.153 4.640 0.493 0.000 0.252 60 D C -1.299 174.849 176.300 -0.253 0.000 1.174 60 D CA -2.629 51.280 54.000 -0.151 0.000 0.866 60 D CB 1.588 42.306 40.800 -0.138 0.000 1.127 60 D HN 0.015 nan 8.370 nan 0.000 0.467 61 P HA 0.014 nan 4.420 nan 0.000 0.226 61 P C 1.067 178.223 177.300 -0.241 0.000 1.153 61 P CA 0.494 63.318 63.100 -0.460 0.000 0.777 61 P CB 0.275 31.720 31.700 -0.425 0.000 0.794 62 G N -1.353 107.367 108.800 -0.133 0.000 2.985 62 G HA2 -0.032 4.223 3.960 0.493 0.000 0.209 62 G HA3 -0.032 4.223 3.960 0.493 0.000 0.209 62 G C 0.188 175.154 174.900 0.109 0.000 1.165 62 G CA -0.424 44.674 45.100 -0.003 0.000 0.776 62 G HN 0.023 nan 8.290 nan 0.000 0.541 63 F N 0.434 120.331 119.950 -0.088 0.000 3.027 63 F HA -0.196 4.626 4.527 0.492 0.000 0.276 63 F C 1.369 177.116 175.800 -0.088 0.000 0.967 63 F CA 0.667 58.609 58.000 -0.097 0.000 0.929 63 F CB -2.268 36.614 39.000 -0.195 0.000 0.873 63 F HN 0.128 nan 8.300 nan 0.000 0.787 64 T N -0.289 114.287 114.554 0.036 0.000 2.900 64 T HA 0.066 4.711 4.350 0.493 0.000 0.307 64 T C 1.391 176.108 174.700 0.029 0.000 1.065 64 T CA 0.251 62.365 62.100 0.023 0.000 1.105 64 T CB 0.810 69.677 68.868 -0.001 0.000 0.979 64 T HN 0.326 nan 8.240 nan 0.000 0.544 65 D N 2.116 122.531 120.400 0.025 0.000 2.126 65 D HA -0.113 4.823 4.640 0.493 0.000 0.190 65 D C 2.057 178.369 176.300 0.019 0.000 1.001 65 D CA 1.448 55.463 54.000 0.025 0.000 0.841 65 D CB 0.143 40.956 40.800 0.023 0.000 0.949 65 D HN 0.452 nan 8.370 nan 0.000 0.446 66 K N 0.312 120.720 120.400 0.012 0.000 2.113 66 K HA -0.122 4.493 4.320 0.493 0.000 0.208 66 K C 1.440 178.047 176.600 0.011 0.000 1.047 66 K CA 1.120 57.412 56.287 0.009 0.000 0.928 66 K CB -0.122 32.380 32.500 0.003 0.000 0.716 66 K HN 0.278 nan 8.250 nan 0.000 0.446 67 K N 0.458 120.863 120.400 0.008 0.000 2.414 67 K HA 0.122 4.737 4.320 0.493 0.000 0.204 67 K C -0.189 176.428 176.600 0.029 0.000 1.026 67 K CA -0.012 56.279 56.287 0.008 0.000 1.108 67 K CB 1.025 33.510 32.500 -0.025 0.000 0.855 67 K HN -0.083 nan 8.250 nan 0.000 0.517 68 T N 1.738 116.319 114.554 0.046 0.000 2.771 68 T HA 0.315 4.961 4.350 0.493 0.000 0.281 68 T C -0.306 174.428 174.700 0.056 0.000 0.982 68 T CA -0.484 61.671 62.100 0.091 0.000 0.978 68 T CB 1.340 70.290 68.868 0.137 0.000 0.930 68 T HN 0.072 nan 8.240 nan 0.000 0.447 69 L N 4.209 125.477 121.223 0.075 0.000 2.305 69 L HA 0.529 5.165 4.340 0.493 0.000 0.281 69 L C -0.603 176.180 176.870 -0.144 0.000 1.085 69 L CA -0.584 54.220 54.840 -0.061 0.000 0.813 69 L CB 1.003 43.062 42.059 0.000 0.000 1.157 69 L HN 0.369 nan 8.230 nan 0.000 0.436 70 V N 4.195 123.903 119.914 -0.343 0.000 2.540 70 V HA 0.420 4.835 4.120 0.493 0.000 0.302 70 V C -0.663 175.080 176.094 -0.586 0.000 1.035 70 V CA -0.564 61.566 62.300 -0.283 0.000 0.873 70 V CB 1.660 33.417 31.823 -0.111 0.000 0.992 70 V HN 0.391 nan 8.190 nan 0.000 0.428 71 F N 2.427 122.294 119.950 -0.137 0.000 2.427 71 F HA 0.596 5.420 4.527 0.495 0.000 0.348 71 F C 0.517 176.057 175.800 -0.434 0.000 1.125 71 F CA -0.461 57.365 58.000 -0.289 0.000 0.989 71 F CB 1.556 40.292 39.000 -0.441 0.000 1.165 71 F HN 0.489 nan 8.300 nan 0.000 0.442 72 E N 0.645 120.602 120.200 -0.405 0.000 2.235 72 E HA 0.357 5.002 4.350 0.493 0.000 0.265 72 E C -0.787 175.390 176.600 -0.705 0.000 0.940 72 E CA -0.902 54.957 56.400 -0.900 0.000 0.819 72 E CB 1.400 30.327 29.700 -1.289 0.000 1.206 72 E HN 0.577 nan 8.360 nan 0.000 0.409 73 D N 0.468 120.290 120.400 -0.962 0.000 2.981 73 D HA -0.167 4.768 4.640 0.493 0.000 0.223 73 D C -0.964 175.254 176.300 -0.138 0.000 1.151 73 D CA 0.401 54.214 54.000 -0.312 0.000 0.827 73 D CB -1.071 39.682 40.800 -0.078 0.000 1.101 73 D HN 0.371 nan 8.370 nan 0.000 0.426 74 L N -0.103 121.036 121.223 -0.141 0.000 2.600 74 L HA 0.261 4.896 4.340 0.493 0.000 0.278 74 L C 2.095 178.999 176.870 0.057 0.000 1.139 74 L CA 0.240 55.055 54.840 -0.041 0.000 0.933 74 L CB 0.323 42.382 42.059 -0.000 0.000 1.266 74 L HN 0.181 nan 8.230 nan 0.000 0.471 75 A N 3.990 126.757 122.820 -0.089 0.000 1.948 75 A HA -0.133 4.483 4.320 0.493 0.000 0.220 75 A C 0.580 177.882 177.584 -0.469 0.000 1.177 75 A CA 1.145 52.977 52.037 -0.342 0.000 0.636 75 A CB -0.169 18.522 19.000 -0.515 0.000 0.815 75 A HN 0.713 nan 8.150 nan 0.000 0.449 76 W N -0.970 120.331 121.300 0.003 0.000 2.655 76 W HA 0.406 5.374 4.660 0.513 0.000 0.358 76 W C 0.761 177.128 176.519 -0.254 0.000 1.100 76 W CA -0.702 56.551 57.345 -0.154 0.000 1.195 76 W CB 0.654 29.721 29.460 -0.654 0.000 1.403 76 W HN 0.252 nan 8.180 nan 0.000 0.589 77 N N 1.658 120.338 118.700 -0.033 0.000 2.362 77 N HA 0.025 5.061 4.740 0.493 0.000 0.211 77 N C -0.779 173.916 175.510 -1.358 0.000 1.170 77 N CA 0.156 52.642 53.050 -0.941 0.000 0.828 77 N CB -0.474 37.666 38.487 -0.579 0.000 1.034 77 N HN 0.392 nan 8.380 nan 0.000 0.475 78 F N -2.403 117.066 119.950 -0.801 0.000 2.641 78 F HA 0.735 5.561 4.527 0.499 0.000 0.308 78 F C -1.683 174.033 175.800 -0.140 0.000 1.105 78 F CA -1.697 55.944 58.000 -0.597 0.000 0.964 78 F CB 1.169 39.895 39.000 -0.456 0.000 1.294 78 F HN -0.160 nan 8.300 nan 0.000 0.442 79 F N 0.689 120.556 119.950 -0.138 0.000 2.665 79 F HA 0.689 5.510 4.527 0.491 0.000 0.308 79 F C -1.591 174.186 175.800 -0.039 0.000 1.112 79 F CA -0.297 57.632 58.000 -0.118 0.000 0.972 79 F CB 2.484 41.436 39.000 -0.081 0.000 1.295 79 F HN 0.723 nan 8.300 nan 0.000 0.440 80 T N 5.844 119.765 114.554 -1.054 0.000 2.890 80 T HA 0.404 5.049 4.350 0.493 0.000 0.295 80 T C -2.805 171.088 174.700 -1.345 0.000 0.993 80 T CA -1.283 60.291 62.100 -0.877 0.000 0.979 80 T CB 1.867 70.474 68.868 -0.436 0.000 0.967 80 T HN 0.213 nan 8.240 nan 0.000 0.441 81 P HA 0.124 nan 4.420 nan 0.000 0.270 81 P C 0.445 177.600 177.300 -0.241 0.000 1.223 81 P CA -0.245 62.504 63.100 -0.586 0.000 0.785 81 P CB 0.609 32.171 31.700 -0.229 0.000 0.923 82 D N -0.225 120.161 120.400 -0.023 0.000 2.340 82 D HA -0.014 4.921 4.640 0.493 0.000 0.220 82 D C 0.130 176.468 176.300 0.063 0.000 1.039 82 D CA 0.580 54.588 54.000 0.014 0.000 0.866 82 D CB 0.162 40.993 40.800 0.052 0.000 0.913 82 D HN 0.458 nan 8.370 nan 0.000 0.523 83 E N -0.214 120.045 120.200 0.099 0.000 2.317 83 E HA 0.567 5.213 4.350 0.493 0.000 0.270 83 E C -1.084 175.568 176.600 0.088 0.000 0.885 83 E CA -1.031 55.427 56.400 0.097 0.000 0.760 83 E CB 2.305 32.076 29.700 0.119 0.000 1.227 83 E HN 0.055 nan 8.360 nan 0.000 0.434 84 A N 3.184 126.046 122.820 0.069 0.000 2.346 84 A HA 0.410 5.025 4.320 0.493 0.000 0.252 84 A C -0.402 177.231 177.584 0.082 0.000 1.089 84 A CA -0.197 51.876 52.037 0.059 0.000 0.797 84 A CB 0.238 19.268 19.000 0.050 0.000 1.047 84 A HN 0.582 nan 8.150 nan 0.000 0.494 85 L N 1.627 122.890 121.223 0.066 0.000 2.322 85 L HA 0.398 5.034 4.340 0.493 0.000 0.279 85 L C -1.949 175.004 176.870 0.138 0.000 1.036 85 L CA -2.075 52.819 54.840 0.089 0.000 0.807 85 L CB 1.397 43.416 42.059 -0.067 0.000 1.226 85 L HN 0.507 nan 8.230 nan 0.000 0.433 86 P HA 0.019 nan 4.420 nan 0.000 0.268 86 P C -0.973 176.481 177.300 0.257 0.000 1.208 86 P CA -0.305 62.906 63.100 0.185 0.000 0.777 86 P CB 0.489 32.287 31.700 0.163 0.000 0.875 87 D N -0.064 120.440 120.400 0.172 0.000 2.362 87 D HA 0.430 5.366 4.640 0.493 0.000 0.238 87 D C 1.144 177.532 176.300 0.147 0.000 1.212 87 D CA 1.254 55.356 54.000 0.171 0.000 0.902 87 D CB 0.087 40.945 40.800 0.097 0.000 1.180 87 D HN 0.703 nan 8.370 nan 0.000 0.445 88 G N -0.520 108.350 108.800 0.117 0.000 2.334 88 G HA2 0.003 4.258 3.960 0.493 0.000 0.315 88 G HA3 0.003 4.258 3.960 0.493 0.000 0.315 88 G C -1.503 173.332 174.900 -0.108 0.000 1.284 88 G CA -0.926 44.146 45.100 -0.047 0.000 0.985 88 G HN 0.604 nan 8.290 nan 0.000 0.504 89 H N 0.058 118.923 119.070 -0.343 0.000 2.604 89 H HA 0.661 5.513 4.556 0.493 0.000 0.306 89 H C -1.066 173.843 175.328 -0.698 0.000 1.075 89 H CA 0.141 55.965 56.048 -0.373 0.000 1.357 89 H CB 0.701 30.304 29.762 -0.265 0.000 1.426 89 H HN 0.400 nan 8.280 nan 0.000 0.470 90 Y N 2.960 122.743 120.300 -0.861 0.000 2.562 90 Y HA 0.329 5.175 4.550 0.494 0.000 0.343 90 Y C 0.169 175.479 175.900 -0.982 0.000 1.025 90 Y CA -0.661 56.882 58.100 -0.927 0.000 1.082 90 Y CB 1.614 39.202 38.460 -1.452 0.000 1.264 90 Y HN 0.622 nan 8.280 nan 0.000 0.478 91 H N 1.696 120.771 119.070 0.008 0.000 2.806 91 H HA 0.285 5.137 4.556 0.492 0.000 0.367 91 H C -1.285 174.409 175.328 0.610 0.000 1.136 91 H CA -1.003 55.170 56.048 0.209 0.000 1.178 91 H CB 2.200 31.921 29.762 -0.068 0.000 1.718 91 H HN 0.841 nan 8.280 nan 0.000 0.540 92 W N 2.022 123.769 121.300 0.745 0.000 3.107 92 W HA 0.558 5.513 4.660 0.491 0.000 0.331 92 W C -1.454 175.371 176.519 0.509 0.000 1.204 92 W CA -1.302 56.483 57.345 0.734 0.000 1.184 92 W CB 0.973 30.883 29.460 0.749 0.000 1.421 92 W HN 0.778 nan 8.180 nan 0.000 0.544 93 C N 1.283 120.728 119.300 0.242 0.000 3.311 93 C HA 0.844 5.599 4.460 0.493 0.000 0.325 93 C C -0.995 174.103 174.990 0.180 0.000 1.352 93 C CA -0.943 57.998 59.018 -0.128 0.000 1.308 93 C CB 1.206 28.766 27.740 -0.300 0.000 1.619 93 C HN 0.958 nan 8.230 nan 0.000 0.469 94 Y N -0.109 120.185 120.300 -0.011 0.000 2.634 94 Y HA 0.995 5.843 4.550 0.496 0.000 0.340 94 Y C -0.340 175.524 175.900 -0.061 0.000 1.058 94 Y CA -0.501 57.569 58.100 -0.050 0.000 1.081 94 Y CB 1.263 39.332 38.460 -0.652 0.000 1.295 94 Y HN 1.476 nan 8.280 nan 0.000 0.487 95 A N 1.394 124.157 122.820 -0.094 0.000 2.588 95 A HA 0.648 5.263 4.320 0.493 0.000 0.290 95 A C -1.771 175.811 177.584 -0.004 0.000 1.136 95 A CA -1.210 50.626 52.037 -0.335 0.000 0.681 95 A CB 0.997 19.336 19.000 -1.102 0.000 1.282 95 A HN 0.874 nan 8.150 nan 0.000 0.421 96 L N 1.203 122.382 121.223 -0.072 0.000 2.439 96 L HA 0.248 4.883 4.340 0.493 0.000 0.269 96 L C -0.272 176.667 176.870 0.115 0.000 1.179 96 L CA 0.087 54.934 54.840 0.011 0.000 0.828 96 L CB 0.637 42.696 42.059 -0.001 0.000 1.106 96 L HN 0.747 nan 8.230 nan 0.000 0.467 97 W N 4.097 125.353 121.300 -0.074 0.000 2.619 97 W HA 0.228 5.183 4.660 0.492 0.000 0.327 97 W C -1.260 175.192 176.519 -0.111 0.000 1.027 97 W CA -0.844 56.458 57.345 -0.073 0.000 1.233 97 W CB 1.829 31.255 29.460 -0.057 0.000 1.370 97 W HN 0.449 nan 8.180 nan 0.000 0.453 98 D N 3.974 123.943 120.400 -0.718 0.000 2.316 98 D HA 0.042 4.977 4.640 0.493 0.000 0.245 98 D C 1.150 176.940 176.300 -0.850 0.000 1.171 98 D CA 0.370 53.938 54.000 -0.720 0.000 0.856 98 D CB 1.619 42.023 40.800 -0.660 0.000 1.090 98 D HN 0.541 nan 8.370 nan 0.000 0.476 99 Q N 3.465 123.008 119.800 -0.428 0.000 2.030 99 Q HA -0.198 4.438 4.340 0.493 0.000 0.204 99 Q C 1.308 177.208 176.000 -0.167 0.000 0.986 99 Q CA 1.485 57.191 55.803 -0.163 0.000 0.843 99 Q CB 0.255 28.982 28.738 -0.019 0.000 0.904 99 Q HN 0.435 nan 8.270 nan 0.000 0.420 100 K N -0.128 120.161 120.400 -0.186 0.000 2.025 100 K HA -0.086 4.529 4.320 0.493 0.000 0.207 100 K C 2.235 178.735 176.600 -0.167 0.000 1.049 100 K CA 1.451 57.655 56.287 -0.137 0.000 0.933 100 K CB -0.150 32.278 32.500 -0.120 0.000 0.714 100 K HN 0.269 nan 8.250 nan 0.000 0.438 101 S N 0.626 116.177 115.700 -0.248 0.000 2.547 101 S HA 0.041 4.807 4.470 0.493 0.000 0.235 101 S C 0.957 175.384 174.600 -0.289 0.000 0.980 101 S CA 0.512 58.567 58.200 -0.241 0.000 0.941 101 S CB -0.256 62.789 63.200 -0.260 0.000 0.763 101 S HN 0.311 nan 8.310 nan 0.000 0.532 102 A N -0.202 122.380 122.820 -0.398 0.000 2.560 102 A HA -0.046 4.569 4.320 0.493 0.000 0.299 102 A C 0.439 177.623 177.584 -0.667 0.000 1.484 102 A CA 1.081 52.864 52.037 -0.424 0.000 0.749 102 A CB -2.358 16.644 19.000 0.002 0.000 1.072 102 A HN 0.978 nan 8.150 nan 0.000 0.426 103 T N -1.578 112.264 114.554 -1.187 0.000 2.885 103 T HA 0.683 5.328 4.350 0.493 0.000 0.322 103 T C -0.021 174.305 174.700 -0.624 0.000 1.387 103 T CA 0.496 62.188 62.100 -0.681 0.000 1.041 103 T CB 1.214 69.924 68.868 -0.263 0.000 1.287 103 T HN 2.032 nan 8.240 nan 0.000 0.491 104 A N 2.243 125.008 122.820 -0.091 0.000 2.511 104 A HA 0.417 5.033 4.320 0.493 0.000 0.242 104 A C 0.338 177.859 177.584 -0.106 0.000 1.069 104 A CA 0.714 52.719 52.037 -0.053 0.000 0.763 104 A CB -0.481 18.430 19.000 -0.147 0.000 1.001 104 A HN 1.169 nan 8.150 nan 0.000 0.498 105 H N -0.046 118.871 119.070 -0.256 0.000 2.637 105 H HA 0.515 5.366 4.556 0.492 0.000 0.245 105 H C -0.333 174.873 175.328 -0.203 0.000 1.190 105 H CA 0.318 56.236 56.048 -0.216 0.000 0.934 105 H CB 0.075 29.711 29.762 -0.210 0.000 1.950 105 H HN 0.721 nan 8.280 nan 0.000 0.614 106 S N 0.497 115.936 115.700 -0.434 0.000 2.550 106 S HA 0.232 4.998 4.470 0.493 0.000 0.270 106 S C -0.847 173.499 174.600 -0.424 0.000 1.145 106 S CA -1.074 56.869 58.200 -0.429 0.000 0.852 106 S CB 1.228 64.189 63.200 -0.399 0.000 1.119 106 S HN 0.571 nan 8.310 nan 0.000 0.465 107 N N 0.905 119.432 118.700 -0.288 0.000 2.232 107 N HA -0.074 4.962 4.740 0.493 0.000 0.251 107 N C -0.755 174.575 175.510 -0.300 0.000 1.242 107 N CA 0.298 53.219 53.050 -0.215 0.000 0.837 107 N CB -0.279 38.133 38.487 -0.124 0.000 1.079 107 N HN 0.764 nan 8.380 nan 0.000 0.461 108 W N 0.789 121.964 121.300 -0.208 0.000 2.126 108 W HA 0.181 5.136 4.660 0.492 0.000 0.346 108 W C 1.376 177.669 176.519 -0.376 0.000 1.279 108 W CA -0.480 56.685 57.345 -0.299 0.000 1.259 108 W CB 0.212 29.484 29.460 -0.314 0.000 1.133 108 W HN 0.616 nan 8.180 nan 0.000 0.592 109 S N 0.125 115.640 115.700 -0.308 0.000 2.633 109 S HA 0.274 5.039 4.470 0.493 0.000 0.257 109 S C 0.093 174.510 174.600 -0.304 0.000 1.265 109 S CA -0.867 57.037 58.200 -0.494 0.000 0.980 109 S CB -0.143 62.438 63.200 -1.032 0.000 1.017 109 S HN 0.404 nan 8.310 nan 0.000 0.577 110 T N 0.973 115.349 114.554 -0.297 0.000 2.940 110 T HA 0.267 4.912 4.350 0.493 0.000 0.309 110 T C 0.062 174.622 174.700 -0.234 0.000 1.056 110 T CA -0.621 61.349 62.100 -0.217 0.000 1.137 110 T CB 0.231 68.976 68.868 -0.204 0.000 0.976 110 T HN 0.490 nan 8.240 nan 0.000 0.547 111 V N 4.553 124.387 119.914 -0.134 0.000 2.455 111 V HA 0.252 4.667 4.120 0.493 0.000 0.273 111 V C 0.708 176.787 176.094 -0.025 0.000 1.045 111 V CA -0.071 62.195 62.300 -0.057 0.000 0.976 111 V CB 0.262 32.131 31.823 0.077 0.000 0.993 111 V HN 0.705 nan 8.190 nan 0.000 0.475 112 R N 3.008 123.454 120.500 -0.090 0.000 2.711 112 R HA 0.696 5.331 4.340 0.493 0.000 0.284 112 R C -0.676 175.862 176.300 0.398 0.000 0.968 112 R CA -0.515 55.633 56.100 0.080 0.000 0.924 112 R CB 2.109 32.411 30.300 0.003 0.000 1.162 112 R HN 0.661 nan 8.270 nan 0.000 0.465 113 S N 1.699 117.651 115.700 0.419 0.000 2.568 113 S HA 0.738 5.503 4.470 0.493 0.000 0.302 113 S C -1.144 173.673 174.600 0.362 0.000 1.082 113 S CA -0.721 57.673 58.200 0.323 0.000 1.009 113 S CB 1.064 64.367 63.200 0.173 0.000 1.069 113 S HN 0.494 nan 8.310 nan 0.000 0.500 114 F N -0.735 119.225 119.950 0.016 0.000 2.686 114 F HA 0.701 5.525 4.527 0.495 0.000 0.311 114 F C -0.996 174.748 175.800 -0.094 0.000 1.128 114 F CA -0.917 57.074 58.000 -0.014 0.000 0.946 114 F CB 1.220 40.241 39.000 0.035 0.000 1.336 114 F HN 0.448 nan 8.300 nan 0.000 0.457 115 E N 2.125 122.372 120.200 0.078 0.000 2.210 115 E HA 0.493 5.138 4.350 0.493 0.000 0.266 115 E C -1.494 175.204 176.600 0.164 0.000 0.883 115 E CA -0.919 55.492 56.400 0.019 0.000 0.761 115 E CB 2.040 31.741 29.700 0.002 0.000 1.156 115 E HN 0.546 nan 8.360 nan 0.000 0.412 116 I N 3.017 123.705 120.570 0.196 0.000 2.377 116 I HA 0.239 4.705 4.170 0.493 0.000 0.293 116 I C 0.383 176.577 176.117 0.130 0.000 0.987 116 I CA -0.367 61.041 61.300 0.180 0.000 1.185 116 I CB 1.175 39.306 38.000 0.219 0.000 1.341 116 I HN 0.464 nan 8.210 nan 0.000 0.455 117 S N 4.666 120.421 115.700 0.091 0.000 2.671 117 S HA 0.490 5.255 4.470 0.493 0.000 0.299 117 S C 0.514 175.151 174.600 0.061 0.000 1.116 117 S CA -0.659 57.584 58.200 0.071 0.000 0.912 117 S CB 2.509 65.742 63.200 0.055 0.000 1.130 117 S HN 0.487 nan 8.310 nan 0.000 0.501 118 E N 0.816 121.048 120.200 0.053 0.000 2.204 118 E HA -0.020 4.625 4.350 0.493 0.000 0.194 118 E C 2.051 178.675 176.600 0.039 0.000 0.989 118 E CA 1.242 57.670 56.400 0.046 0.000 0.824 118 E CB -0.639 29.086 29.700 0.041 0.000 0.756 118 E HN 0.781 nan 8.360 nan 0.000 0.477 119 A N 0.771 123.613 122.820 0.037 0.000 2.121 119 A HA -0.053 4.562 4.320 0.493 0.000 0.218 119 A C 1.313 178.915 177.584 0.030 0.000 1.154 119 A CA 0.330 52.386 52.037 0.032 0.000 0.679 119 A CB -0.317 18.700 19.000 0.029 0.000 0.795 119 A HN 0.120 nan 8.150 nan 0.000 0.458 120 L N 1.121 122.362 121.223 0.031 0.000 2.319 120 L HA 0.237 4.873 4.340 0.493 0.000 0.280 120 L C -2.280 174.605 176.870 0.024 0.000 1.099 120 L CA -2.032 52.822 54.840 0.023 0.000 0.828 120 L CB 0.535 42.605 42.059 0.017 0.000 1.150 120 L HN 0.020 nan 8.230 nan 0.000 0.442 121 P HA -0.044 nan 4.420 nan 0.000 0.264 121 P C -0.904 176.413 177.300 0.027 0.000 1.179 121 P CA 0.261 63.380 63.100 0.032 0.000 0.763 121 P CB 0.337 32.060 31.700 0.039 0.000 0.806 122 K N 1.760 122.181 120.400 0.034 0.000 2.257 122 K HA 0.287 4.903 4.320 0.493 0.000 0.270 122 K C -0.102 176.522 176.600 0.040 0.000 1.098 122 K CA -0.170 56.137 56.287 0.034 0.000 0.943 122 K CB 0.180 32.703 32.500 0.039 0.000 1.316 122 K HN 0.436 nan 8.250 nan 0.000 0.447 123 T N 0.080 114.655 114.554 0.036 0.000 3.466 123 T HA 0.290 4.936 4.350 0.493 0.000 0.297 123 T C -2.539 172.202 174.700 0.069 0.000 1.640 123 T CA -2.164 59.969 62.100 0.056 0.000 1.631 123 T CB 0.304 69.208 68.868 0.060 0.000 0.928 123 T HN 0.132 nan 8.240 nan 0.000 0.688 124 P HA 0.382 nan 4.420 nan 0.000 0.272 124 P C -0.671 176.693 177.300 0.106 0.000 1.230 124 P CA -0.856 62.272 63.100 0.046 0.000 0.788 124 P CB 0.578 32.307 31.700 0.048 0.000 0.949 125 L N 3.517 124.720 121.223 -0.032 0.000 2.294 125 L HA 0.512 5.148 4.340 0.493 0.000 0.283 125 L C -2.592 174.175 176.870 -0.171 0.000 1.015 125 L CA -2.676 52.073 54.840 -0.152 0.000 0.831 125 L CB 0.909 42.783 42.059 -0.307 0.000 1.217 125 L HN 0.180 nan 8.230 nan 0.000 0.420 126 P HA 0.113 nan 4.420 nan 0.000 0.262 126 P C 0.146 177.366 177.300 -0.134 0.000 1.182 126 P CA 0.187 63.236 63.100 -0.086 0.000 0.761 126 P CB 0.450 32.121 31.700 -0.048 0.000 0.795 127 G N 3.093 111.851 108.800 -0.069 0.000 2.667 127 G HA2 -0.036 4.219 3.960 0.493 0.000 0.250 127 G HA3 -0.036 4.219 3.960 0.493 0.000 0.250 127 G C 1.024 175.838 174.900 -0.142 0.000 1.212 127 G CA -0.477 44.591 45.100 -0.054 0.000 0.874 127 G HN 0.416 nan 8.290 nan 0.000 0.561 128 R N -0.229 120.168 120.500 -0.172 0.000 2.083 128 R HA -0.116 4.520 4.340 0.493 0.000 0.237 128 R C 3.035 178.989 176.300 -0.577 0.000 1.137 128 R CA 1.702 57.525 56.100 -0.462 0.000 0.951 128 R CB -0.507 29.616 30.300 -0.295 0.000 0.851 128 R HN 0.480 nan 8.270 nan 0.000 0.434 129 S N 0.735 116.309 115.700 -0.211 0.000 2.359 129 S HA -0.245 4.521 4.470 0.493 0.000 0.222 129 S C 2.119 176.670 174.600 -0.082 0.000 1.038 129 S CA 1.511 59.661 58.200 -0.083 0.000 1.051 129 S CB -0.422 62.770 63.200 -0.014 0.000 0.944 129 S HN 0.531 nan 8.310 nan 0.000 0.433 130 A N 1.917 124.689 122.820 -0.079 0.000 1.859 130 A HA -0.212 4.403 4.320 0.493 0.000 0.217 130 A C 2.163 179.700 177.584 -0.079 0.000 1.198 130 A CA 1.837 53.839 52.037 -0.058 0.000 0.629 130 A CB -0.705 18.270 19.000 -0.041 0.000 0.830 130 A HN 0.452 nan 8.150 nan 0.000 0.446 131 R N -1.342 119.073 120.500 -0.141 0.000 2.083 131 R HA -0.182 4.453 4.340 0.493 0.000 0.237 131 R C 2.127 178.408 176.300 -0.031 0.000 1.137 131 R CA 1.936 57.968 56.100 -0.114 0.000 0.951 131 R CB -0.684 29.524 30.300 -0.153 0.000 0.851 131 R HN 0.828 nan 8.270 nan 0.000 0.434 132 H N -0.506 118.548 119.070 -0.027 0.000 2.387 132 H HA -0.048 4.802 4.556 0.491 0.000 0.299 132 H C 2.065 177.356 175.328 -0.062 0.000 1.090 132 H CA 0.722 56.751 56.048 -0.031 0.000 1.332 132 H CB 0.038 29.798 29.762 -0.003 0.000 1.386 132 H HN 0.321 nan 8.280 nan 0.000 0.516 133 A N 0.940 123.792 122.820 0.053 0.000 2.016 133 A HA 0.111 4.726 4.320 0.493 0.000 0.217 133 A C 2.357 179.911 177.584 -0.049 0.000 1.162 133 A CA 0.948 52.986 52.037 0.001 0.000 0.662 133 A CB -0.394 18.606 19.000 0.001 0.000 0.812 133 A HN 0.433 nan 8.150 nan 0.000 0.450 134 A N -0.586 122.191 122.820 -0.072 0.000 2.208 134 A HA 0.568 5.183 4.320 0.493 0.000 0.209 134 A C 1.259 178.714 177.584 -0.215 0.000 1.161 134 A CA 0.653 52.624 52.037 -0.109 0.000 0.782 134 A CB -0.662 18.288 19.000 -0.083 0.000 0.816 134 A HN 0.848 nan 8.150 nan 0.000 0.477 135 A N 0.149 122.802 122.820 -0.279 0.000 2.366 135 A HA 0.440 5.056 4.320 0.493 0.000 0.272 135 A C 0.352 177.712 177.584 -0.374 0.000 1.135 135 A CA -0.314 51.372 52.037 -0.584 0.000 0.804 135 A CB 0.099 18.773 19.000 -0.544 0.000 1.064 135 A HN 0.525 nan 8.150 nan 0.000 0.499 136 Q N 0.650 120.218 119.800 -0.387 0.000 2.394 136 Q HA 0.224 4.860 4.340 0.493 0.000 0.248 136 Q C 0.372 176.330 176.000 -0.071 0.000 0.992 136 Q CA 0.695 56.409 55.803 -0.149 0.000 0.888 136 Q CB 0.619 29.306 28.738 -0.085 0.000 1.257 136 Q HN 0.826 nan 8.270 nan 0.000 0.462 137 T N -1.738 112.748 114.554 -0.113 0.000 2.959 137 T HA 0.077 4.722 4.350 0.493 0.000 0.254 137 T C 0.443 174.974 174.700 -0.281 0.000 1.003 137 T CA -0.025 61.986 62.100 -0.147 0.000 0.950 137 T CB 0.293 69.102 68.868 -0.098 0.000 1.090 137 T HN 0.552 nan 8.240 nan 0.000 0.503 138 S N 1.377 116.921 115.700 -0.261 0.000 2.578 138 S HA 0.539 5.304 4.470 0.493 0.000 0.283 138 S C -0.894 173.448 174.600 -0.430 0.000 1.195 138 S CA -0.842 57.176 58.200 -0.302 0.000 1.050 138 S CB 0.614 63.720 63.200 -0.156 0.000 1.012 138 S HN 0.402 nan 8.310 nan 0.000 0.511 139 H N 2.077 120.949 119.070 -0.329 0.000 2.487 139 H HA 0.505 5.356 4.556 0.491 0.000 0.333 139 H C -2.157 172.990 175.328 -0.301 0.000 1.114 139 H CA -1.246 54.584 56.048 -0.363 0.000 1.310 139 H CB 0.758 30.191 29.762 -0.550 0.000 1.462 139 H HN 0.518 nan 8.280 nan 0.000 0.516 140 P HA 0.248 nan 4.420 nan 0.000 0.279 140 P C -0.252 176.908 177.300 -0.233 0.000 1.252 140 P CA -0.528 62.333 63.100 -0.400 0.000 0.811 140 P CB 2.083 33.135 31.700 -1.079 0.000 1.035 141 R N -0.074 120.358 120.500 -0.114 0.000 2.470 141 R HA 0.308 4.944 4.340 0.493 0.000 0.210 141 R C 0.406 176.725 176.300 0.031 0.000 0.873 141 R CA -0.203 55.878 56.100 -0.032 0.000 1.015 141 R CB 0.006 30.227 30.300 -0.133 0.000 1.348 141 R HN 0.300 nan 8.270 nan 0.000 0.650 142 L N 2.322 123.578 121.223 0.055 0.000 2.361 142 L HA -0.003 4.633 4.340 0.493 0.000 0.278 142 L C 0.494 177.711 176.870 0.579 0.000 1.113 142 L CA 0.173 55.047 54.840 0.058 0.000 0.849 142 L CB 0.404 42.083 42.059 -0.635 0.000 1.155 142 L HN 0.342 nan 8.230 nan 0.000 0.452 143 W N 3.432 124.925 121.300 0.322 0.000 1.447 143 W HA -0.350 4.606 4.660 0.492 0.000 0.276 143 W C -0.802 175.866 176.519 0.248 0.000 1.717 143 W CA 1.055 58.618 57.345 0.364 0.000 2.126 143 W CB -1.036 28.746 29.460 0.536 0.000 1.086 143 W HN 0.254 nan 8.180 nan 0.000 0.447 144 L N 2.045 123.258 121.223 -0.016 0.000 2.331 144 L HA 0.356 4.991 4.340 0.493 0.000 0.275 144 L C 0.669 177.429 176.870 -0.183 0.000 1.022 144 L CA -0.336 54.294 54.840 -0.349 0.000 0.812 144 L CB 1.223 42.889 42.059 -0.655 0.000 1.257 144 L HN 0.382 nan 8.230 nan 0.000 0.435 145 N N -0.749 117.835 118.700 -0.193 0.000 2.643 145 N HA 0.199 5.235 4.740 0.493 0.000 0.305 145 N C 0.522 175.895 175.510 -0.229 0.000 1.283 145 N CA -0.677 52.264 53.050 -0.182 0.000 0.946 145 N CB 0.707 39.134 38.487 -0.099 0.000 1.149 145 N HN 0.393 nan 8.380 nan 0.000 0.600 146 S N -1.019 114.566 115.700 -0.192 0.000 2.368 146 S HA -0.161 4.605 4.470 0.493 0.000 0.225 146 S C 1.414 175.933 174.600 -0.134 0.000 1.030 146 S CA 1.300 59.393 58.200 -0.177 0.000 0.999 146 S CB -0.581 62.537 63.200 -0.136 0.000 0.844 146 S HN 0.706 nan 8.310 nan 0.000 0.459 147 E N 0.876 121.012 120.200 -0.106 0.000 2.107 147 E HA -0.141 4.504 4.350 0.493 0.000 0.191 147 E C 1.941 178.498 176.600 -0.072 0.000 0.982 147 E CA 0.742 57.095 56.400 -0.078 0.000 0.809 147 E CB -0.702 28.961 29.700 -0.063 0.000 0.756 147 E HN 0.607 nan 8.360 nan 0.000 0.459 148 Q N 0.337 120.080 119.800 -0.095 0.000 2.170 148 Q HA -0.112 4.523 4.340 0.493 0.000 0.203 148 Q C 2.293 178.232 176.000 -0.101 0.000 0.976 148 Q CA 1.180 56.926 55.803 -0.094 0.000 0.858 148 Q CB -0.185 28.459 28.738 -0.157 0.000 0.907 148 Q HN 0.188 nan 8.270 nan 0.000 0.433 149 L N 0.037 121.172 121.223 -0.147 0.000 2.005 149 L HA -0.118 4.517 4.340 0.493 0.000 0.207 149 L C 2.325 179.189 176.870 -0.010 0.000 1.072 149 L CA 1.939 56.723 54.840 -0.094 0.000 0.744 149 L CB -0.949 40.991 42.059 -0.197 0.000 0.895 149 L HN 0.009 nan 8.230 nan 0.000 0.433 150 S N -0.747 114.924 115.700 -0.047 0.000 2.370 150 S HA -0.188 4.578 4.470 0.493 0.000 0.226 150 S C 2.130 176.711 174.600 -0.033 0.000 1.033 150 S CA 1.320 59.495 58.200 -0.041 0.000 1.011 150 S CB -0.515 62.655 63.200 -0.049 0.000 0.852 150 S HN 0.686 nan 8.310 nan 0.000 0.457 151 A N 0.405 123.219 122.820 -0.010 0.000 1.877 151 A HA -0.031 4.584 4.320 0.493 0.000 0.216 151 A C 1.984 179.583 177.584 0.026 0.000 1.186 151 A CA 1.679 53.717 52.037 0.003 0.000 0.620 151 A CB -1.041 17.974 19.000 0.025 0.000 0.822 151 A HN 0.660 nan 8.150 nan 0.000 0.443 152 F N 0.912 120.812 119.950 -0.083 0.000 2.186 152 F HA 0.035 4.858 4.527 0.494 0.000 0.299 152 F C 2.454 178.167 175.800 -0.146 0.000 1.090 152 F CA 0.899 58.854 58.000 -0.076 0.000 1.307 152 F CB -0.426 38.504 39.000 -0.116 0.000 1.019 152 F HN 0.242 nan 8.300 nan 0.000 0.489 153 A N 0.198 122.906 122.820 -0.188 0.000 1.877 153 A HA -0.189 4.426 4.320 0.493 0.000 0.216 153 A C 1.990 179.400 177.584 -0.291 0.000 1.186 153 A CA 1.937 53.800 52.037 -0.290 0.000 0.620 153 A CB -1.053 17.868 19.000 -0.131 0.000 0.822 153 A HN 0.416 nan 8.150 nan 0.000 0.443 154 D N 0.275 120.554 120.400 -0.201 0.000 2.133 154 D HA -0.120 4.816 4.640 0.493 0.000 0.195 154 D C 2.152 178.302 176.300 -0.250 0.000 0.997 154 D CA 1.629 55.520 54.000 -0.181 0.000 0.840 154 D CB -0.462 40.263 40.800 -0.125 0.000 0.947 154 D HN 0.453 nan 8.370 nan 0.000 0.452 155 A N 0.435 123.049 122.820 -0.344 0.000 1.930 155 A HA -0.101 4.515 4.320 0.493 0.000 0.217 155 A C 2.490 179.772 177.584 -0.502 0.000 1.175 155 A CA 1.033 52.775 52.037 -0.491 0.000 0.627 155 A CB -0.504 18.058 19.000 -0.730 0.000 0.815 155 A HN 0.165 nan 8.150 nan 0.000 0.443 156 V N -0.285 119.293 119.914 -0.561 0.000 2.453 156 V HA -0.155 4.260 4.120 0.493 0.000 0.247 156 V C 2.977 178.896 176.094 -0.291 0.000 1.048 156 V CA 1.560 63.563 62.300 -0.495 0.000 1.049 156 V CB -1.113 30.205 31.823 -0.842 0.000 0.672 156 V HN 0.581 nan 8.190 nan 0.000 0.457 157 A N -0.038 122.625 122.820 -0.261 0.000 1.972 157 A HA -0.238 4.378 4.320 0.493 0.000 0.219 157 A C 2.292 179.805 177.584 -0.119 0.000 1.169 157 A CA 2.027 53.967 52.037 -0.160 0.000 0.635 157 A CB -0.336 18.580 19.000 -0.139 0.000 0.810 157 A HN 0.547 nan 8.150 nan 0.000 0.446 158 K N -1.063 119.254 120.400 -0.139 0.000 2.098 158 K HA -0.025 4.590 4.320 0.493 0.000 0.203 158 K C -0.105 176.456 176.600 -0.065 0.000 1.051 158 K CA 1.115 57.343 56.287 -0.099 0.000 0.957 158 K CB 0.172 32.603 32.500 -0.115 0.000 0.738 158 K HN 0.445 nan 8.250 nan 0.000 0.447 159 D N -0.368 119.991 120.400 -0.069 0.000 2.473 159 D HA 0.121 5.057 4.640 0.493 0.000 0.253 159 D C -2.219 174.108 176.300 0.045 0.000 1.233 159 D CA -2.434 51.570 54.000 0.006 0.000 0.908 159 D CB 1.616 42.446 40.800 0.049 0.000 1.170 159 D HN -0.189 nan 8.370 nan 0.000 0.558 160 P HA -0.068 nan 4.420 nan 0.000 0.228 160 P C 0.196 177.649 177.300 0.255 0.000 1.151 160 P CA 0.742 63.924 63.100 0.137 0.000 0.770 160 P CB 0.213 31.978 31.700 0.108 0.000 0.786 161 N N -1.745 117.075 118.700 0.200 0.000 2.251 161 N HA -0.002 5.033 4.740 0.493 0.000 0.217 161 N C 0.238 175.893 175.510 0.243 0.000 1.124 161 N CA -0.330 52.850 53.050 0.217 0.000 0.843 161 N CB -0.474 38.099 38.487 0.143 0.000 1.024 161 N HN 0.139 nan 8.380 nan 0.000 0.501 162 H N -0.052 119.109 119.070 0.151 0.000 3.070 162 H HA -0.005 4.847 4.556 0.493 0.000 0.313 162 H C 0.744 176.234 175.328 0.270 0.000 0.997 162 H CA 0.189 56.324 56.048 0.144 0.000 1.438 162 H CB 0.131 29.909 29.762 0.027 0.000 1.455 162 H HN 0.232 nan 8.280 nan 0.000 0.575 163 C N 3.135 122.324 119.300 -0.185 0.000 4.191 163 C HA -0.184 4.571 4.460 0.493 0.000 0.287 163 C C 1.609 176.687 174.990 0.147 0.000 1.494 163 C CA 1.275 60.285 59.018 -0.013 0.000 1.999 163 C CB -2.391 25.404 27.740 0.091 0.000 1.363 163 C HN 1.481 nan 8.230 nan 0.000 0.788 164 G N -1.710 107.199 108.800 0.181 0.000 2.171 164 G HA2 -0.354 3.901 3.960 0.493 0.000 0.238 164 G HA3 -0.354 3.901 3.960 0.493 0.000 0.238 164 G C 0.572 175.636 174.900 0.274 0.000 1.039 164 G CA 0.517 45.732 45.100 0.192 0.000 0.759 164 G HN 0.996 nan 8.290 nan 0.000 0.501 165 W N 0.171 121.586 121.300 0.192 0.000 2.332 165 W HA -0.127 4.828 4.660 0.492 0.000 0.321 165 W C 2.114 178.816 176.519 0.305 0.000 1.219 165 W CA 2.512 60.016 57.345 0.266 0.000 1.277 165 W CB -0.799 28.793 29.460 0.220 0.000 1.161 165 W HN 0.709 nan 8.180 nan 0.000 0.476 166 A N 0.397 123.318 122.820 0.168 0.000 2.024 166 A HA -0.235 4.380 4.320 0.493 0.000 0.220 166 A C 1.975 179.571 177.584 0.020 0.000 1.164 166 A CA 1.802 53.867 52.037 0.048 0.000 0.643 166 A CB -0.883 18.196 19.000 0.132 0.000 0.806 166 A HN 0.425 nan 8.150 nan 0.000 0.451 167 E N -0.999 119.229 120.200 0.046 0.000 2.072 167 E HA -0.152 4.494 4.350 0.493 0.000 0.191 167 E C 1.744 178.325 176.600 -0.032 0.000 0.985 167 E CA 1.089 57.501 56.400 0.020 0.000 0.801 167 E CB -0.294 29.438 29.700 0.053 0.000 0.750 167 E HN 0.650 nan 8.360 nan 0.000 0.452 168 F N 0.703 120.541 119.950 -0.186 0.000 2.069 168 F HA -0.292 4.530 4.527 0.491 0.000 0.298 168 F C 2.358 177.924 175.800 -0.390 0.000 1.113 168 F CA 1.854 59.676 58.000 -0.297 0.000 1.214 168 F CB -0.799 37.997 39.000 -0.340 0.000 0.978 168 F HN 0.068 nan 8.300 nan 0.000 0.474 169 Y N 1.139 121.060 120.300 -0.633 0.000 2.128 169 Y HA -0.285 4.561 4.550 0.493 0.000 0.284 169 Y C 2.643 178.298 175.900 -0.408 0.000 1.154 169 Y CA 2.421 60.143 58.100 -0.630 0.000 1.149 169 Y CB -0.785 37.350 38.460 -0.540 0.000 0.976 169 Y HN 0.314 nan 8.280 nan 0.000 0.505 170 E N 0.024 120.133 120.200 -0.151 0.000 2.118 170 E HA -0.247 4.399 4.350 0.493 0.000 0.195 170 E C 1.680 178.113 176.600 -0.278 0.000 0.992 170 E CA 1.973 58.292 56.400 -0.136 0.000 0.804 170 E CB -0.016 29.663 29.700 -0.034 0.000 0.741 170 E HN 0.709 nan 8.360 nan 0.000 0.458 171 K N -1.796 118.409 120.400 -0.326 0.000 2.399 171 K HA 0.242 4.857 4.320 0.493 0.000 0.196 171 K C 1.665 178.018 176.600 -0.412 0.000 1.103 171 K CA 0.254 56.347 56.287 -0.324 0.000 0.986 171 K CB 0.653 33.019 32.500 -0.223 0.000 0.952 171 K HN -0.160 nan 8.250 nan 0.000 0.541 172 S N 0.443 115.786 115.700 -0.594 0.000 2.523 172 S HA 0.156 4.922 4.470 0.493 0.000 0.217 172 S C 1.336 175.656 174.600 -0.466 0.000 0.996 172 S CA -0.198 57.639 58.200 -0.605 0.000 0.921 172 S CB 0.655 63.258 63.200 -0.994 0.000 0.829 172 S HN 0.066 nan 8.310 nan 0.000 0.495 173 V N 0.563 120.107 119.914 -0.616 0.000 2.948 173 V HA 0.149 4.564 4.120 0.493 0.000 0.234 173 V C 2.073 177.966 176.094 -0.334 0.000 1.205 173 V CA 0.467 62.529 62.300 -0.397 0.000 1.234 173 V CB -0.073 31.369 31.823 -0.634 0.000 1.020 173 V HN 0.270 nan 8.190 nan 0.000 0.491 174 E N 0.921 120.751 120.200 -0.618 0.000 2.038 174 E HA -0.194 4.452 4.350 0.493 0.000 0.195 174 E C -0.777 175.650 176.600 -0.288 0.000 1.000 174 E CA 1.962 58.091 56.400 -0.451 0.000 0.803 174 E CB -0.698 28.737 29.700 -0.441 0.000 0.750 174 E HN 0.447 nan 8.360 nan 0.000 0.448 175 P HA -0.144 nan 4.420 nan 0.000 0.229 175 P C -0.135 176.895 177.300 -0.450 0.000 1.150 175 P CA 1.046 63.875 63.100 -0.452 0.000 0.765 175 P CB -0.204 31.119 31.700 -0.629 0.000 0.783 176 W N -1.505 119.707 121.300 -0.148 0.000 2.737 176 W HA 0.157 5.113 4.660 0.494 0.000 0.262 176 W C 1.992 178.508 176.519 -0.005 0.000 1.282 176 W CA -0.227 57.043 57.345 -0.125 0.000 1.386 176 W CB -0.585 28.698 29.460 -0.295 0.000 1.099 176 W HN -0.122 nan 8.180 nan 0.000 0.621 177 L N 0.748 122.064 121.223 0.154 0.000 2.046 177 L HA -0.213 4.423 4.340 0.493 0.000 0.208 177 L C 1.925 178.879 176.870 0.139 0.000 1.077 177 L CA 1.665 56.590 54.840 0.142 0.000 0.747 177 L CB -0.511 41.593 42.059 0.075 0.000 0.896 177 L HN 0.050 nan 8.230 nan 0.000 0.432 178 E N -0.575 119.672 120.200 0.079 0.000 2.465 178 E HA 0.006 4.652 4.350 0.493 0.000 0.191 178 E C 0.621 177.276 176.600 0.091 0.000 1.053 178 E CA -0.079 56.359 56.400 0.063 0.000 0.869 178 E CB -0.005 29.701 29.700 0.009 0.000 0.977 178 E HN 0.176 nan 8.360 nan 0.000 0.483 179 R N 1.611 122.222 120.500 0.184 0.000 2.338 179 R HA 0.360 4.996 4.340 0.493 0.000 0.317 179 R C -2.467 174.025 176.300 0.320 0.000 0.968 179 R CA -2.482 53.765 56.100 0.246 0.000 0.849 179 R CB 0.710 31.188 30.300 0.298 0.000 1.128 179 R HN -0.038 nan 8.270 nan 0.000 0.448 180 P HA -0.043 nan 4.420 nan 0.000 0.265 180 P C -0.742 176.497 177.300 -0.101 0.000 1.193 180 P CA -0.268 62.851 63.100 0.032 0.000 0.765 180 P CB 0.544 32.246 31.700 0.003 0.000 0.823 181 V N 4.189 123.789 119.914 -0.523 0.000 2.617 181 V HA -0.107 4.309 4.120 0.493 0.000 0.304 181 V C 0.991 176.705 176.094 -0.634 0.000 1.040 181 V CA 0.144 61.627 62.300 -1.362 0.000 1.149 181 V CB -0.179 30.914 31.823 -1.218 0.000 0.914 181 V HN 0.580 nan 8.190 nan 0.000 0.487 182 M N 10.218 129.517 119.600 -0.502 0.000 2.501 182 M HA 0.151 4.926 4.480 0.493 0.000 0.363 182 M C -1.969 174.388 176.300 0.096 0.000 1.708 182 M CA -1.261 54.076 55.300 0.061 0.000 1.078 182 M CB -0.199 32.633 32.600 0.386 0.000 2.107 182 M HN 0.410 nan 8.290 nan 0.000 0.466 183 P HA -0.055 nan 4.420 nan 0.000 0.266 183 P C -0.857 176.261 177.300 -0.304 0.000 1.195 183 P CA 0.089 63.133 63.100 -0.094 0.000 0.768 183 P CB 0.211 31.843 31.700 -0.113 0.000 0.838 184 E N 4.149 124.000 120.200 -0.582 0.000 2.480 184 E HA 0.039 4.684 4.350 0.493 0.000 0.258 184 E C -1.859 174.263 176.600 -0.798 0.000 0.984 184 E CA -1.491 54.090 56.400 -1.365 0.000 0.930 184 E CB -0.219 28.660 29.700 -1.370 0.000 0.936 184 E HN 0.274 nan 8.360 nan 0.000 0.466 185 P HA -0.048 nan 4.420 nan 0.000 0.266 185 P C -0.887 176.178 177.300 -0.391 0.000 1.195 185 P CA 0.163 62.992 63.100 -0.452 0.000 0.768 185 P CB 0.536 32.005 31.700 -0.386 0.000 0.838 186 Q N 3.130 122.761 119.800 -0.282 0.000 2.221 186 Q HA 0.359 4.995 4.340 0.493 0.000 0.242 186 Q C -1.982 173.853 176.000 -0.275 0.000 0.940 186 Q CA -1.812 53.841 55.803 -0.250 0.000 0.896 186 Q CB -0.222 28.418 28.738 -0.164 0.000 1.226 186 Q HN 0.389 nan 8.270 nan 0.000 0.463 187 P HA 0.050 nan 4.420 nan 0.000 0.272 187 P C -0.828 176.430 177.300 -0.070 0.000 1.223 187 P CA 0.013 62.906 63.100 -0.346 0.000 0.784 187 P CB 0.224 31.709 31.700 -0.359 0.000 0.923 188 Y N 1.088 121.545 120.300 0.262 0.000 2.511 188 Y HA 0.104 4.946 4.550 0.487 0.000 0.332 188 Y C -1.227 174.732 175.900 0.099 0.000 1.177 188 Y CA -2.279 55.912 58.100 0.151 0.000 1.422 188 Y CB -1.048 37.492 38.460 0.134 0.000 1.271 188 Y HN 0.272 nan 8.280 nan 0.000 0.550 189 P HA -0.218 nan 4.420 nan 0.000 0.252 189 P C -0.158 177.214 177.300 0.121 0.000 1.147 189 P CA 1.015 64.184 63.100 0.115 0.000 0.779 189 P CB 0.073 31.820 31.700 0.079 0.000 0.733 190 N N 2.108 120.868 118.700 0.101 0.000 2.948 190 N HA -0.185 4.850 4.740 0.493 0.000 0.239 190 N C -0.102 175.481 175.510 0.122 0.000 0.954 190 N CA 0.858 53.960 53.050 0.087 0.000 0.941 190 N CB -1.687 36.833 38.487 0.055 0.000 1.101 190 N HN 0.469 nan 8.380 nan 0.000 0.579 191 N N -1.395 117.432 118.700 0.212 0.000 2.714 191 N HA -0.148 4.887 4.740 0.493 0.000 0.250 191 N C -0.916 174.698 175.510 0.173 0.000 1.117 191 N CA 1.732 54.951 53.050 0.282 0.000 0.719 191 N CB -1.938 36.688 38.487 0.230 0.000 1.081 191 N HN 0.476 nan 8.380 nan 0.000 0.557 192 T N 0.519 115.143 114.554 0.116 0.000 2.738 192 T HA 0.188 4.834 4.350 0.493 0.000 0.298 192 T C 0.826 175.397 174.700 -0.216 0.000 0.962 192 T CA -0.660 61.423 62.100 -0.028 0.000 0.972 192 T CB 1.736 70.586 68.868 -0.030 0.000 0.928 192 T HN 0.146 nan 8.240 nan 0.000 0.474 193 R N 3.085 123.371 120.500 -0.357 0.000 2.486 193 R HA 0.168 4.804 4.340 0.493 0.000 0.303 193 R C -1.044 174.962 176.300 -0.490 0.000 0.958 193 R CA 0.253 55.928 56.100 -0.709 0.000 1.077 193 R CB 0.017 30.048 30.300 -0.449 0.000 0.921 193 R HN 0.414 nan 8.270 nan 0.000 0.406 194 V N 5.201 124.790 119.914 -0.541 0.000 2.487 194 V HA 0.228 4.643 4.120 0.493 0.000 0.298 194 V C 1.133 177.160 176.094 -0.111 0.000 1.028 194 V CA -0.114 62.041 62.300 -0.243 0.000 0.860 194 V CB 1.447 33.181 31.823 -0.148 0.000 0.991 194 V HN 1.031 nan 8.190 nan 0.000 0.427 195 A N 4.011 126.798 122.820 -0.055 0.000 1.909 195 A HA -0.227 4.389 4.320 0.493 0.000 0.221 195 A C 2.161 179.861 177.584 0.194 0.000 1.223 195 A CA 3.127 55.216 52.037 0.086 0.000 0.658 195 A CB -0.900 18.111 19.000 0.019 0.000 0.831 195 A HN 0.875 nan 8.150 nan 0.000 0.462 196 T N -0.210 114.387 114.554 0.072 0.000 2.652 196 T HA -0.128 4.517 4.350 0.493 0.000 0.267 196 T C 1.704 176.446 174.700 0.069 0.000 1.039 196 T CA 1.605 63.733 62.100 0.045 0.000 1.153 196 T CB -0.330 68.542 68.868 0.006 0.000 0.863 196 T HN 0.199 nan 8.240 nan 0.000 0.428 197 L N -0.543 120.740 121.223 0.100 0.000 2.179 197 L HA 0.170 4.806 4.340 0.493 0.000 0.208 197 L C 2.044 179.082 176.870 0.280 0.000 1.096 197 L CA 0.762 55.704 54.840 0.170 0.000 0.779 197 L CB -1.204 41.007 42.059 0.253 0.000 0.922 197 L HN 0.471 nan 8.230 nan 0.000 0.443 198 W N 0.888 122.249 121.300 0.101 0.000 2.379 198 W HA -0.208 4.737 4.660 0.475 0.000 0.307 198 W C 2.917 179.522 176.519 0.145 0.000 1.200 198 W CA 1.936 59.392 57.345 0.186 0.000 1.297 198 W CB -0.166 29.329 29.460 0.058 0.000 1.140 198 W HN 0.061 nan 8.180 nan 0.000 0.507 199 R N 0.281 120.771 120.500 -0.017 0.000 2.073 199 R HA -0.255 4.380 4.340 0.493 0.000 0.234 199 R C 2.327 178.134 176.300 -0.820 0.000 1.134 199 R CA 2.107 57.875 56.100 -0.553 0.000 0.952 199 R CB -0.779 29.478 30.300 -0.072 0.000 0.850 199 R HN 0.212 nan 8.270 nan 0.000 0.433 200 Q N 0.818 120.405 119.800 -0.355 0.000 2.061 200 Q HA -0.199 4.436 4.340 0.493 0.000 0.204 200 Q C 2.069 177.888 176.000 -0.302 0.000 0.984 200 Q CA 2.326 57.962 55.803 -0.277 0.000 0.846 200 Q CB -0.316 28.351 28.738 -0.119 0.000 0.902 200 Q HN 0.467 nan 8.270 nan 0.000 0.421 201 M N -0.564 118.896 119.600 -0.235 0.000 2.080 201 M HA -0.214 4.562 4.480 0.493 0.000 0.260 201 M C 1.972 178.128 176.300 -0.239 0.000 1.068 201 M CA 2.087 57.277 55.300 -0.183 0.000 1.109 201 M CB -0.372 32.186 32.600 -0.069 0.000 1.342 201 M HN 0.483 nan 8.290 nan 0.000 0.405 202 Y N -0.360 119.717 120.300 -0.372 0.000 2.293 202 Y HA -0.040 4.812 4.550 0.504 0.000 0.291 202 Y C 1.653 177.313 175.900 -0.400 0.000 1.137 202 Y CA 1.090 58.919 58.100 -0.452 0.000 1.202 202 Y CB -1.277 36.771 38.460 -0.688 0.000 0.990 202 Y HN 0.226 nan 8.280 nan 0.000 0.537 203 I N 1.011 121.181 120.570 -0.667 0.000 2.179 203 I HA -0.291 4.174 4.170 0.493 0.000 0.242 203 I C 2.127 178.131 176.117 -0.189 0.000 1.088 203 I CA 1.730 62.795 61.300 -0.392 0.000 1.357 203 I CB -0.513 37.286 38.000 -0.335 0.000 1.051 203 I HN 0.182 nan 8.210 nan 0.000 0.409 204 D N 0.549 120.861 120.400 -0.146 0.000 2.133 204 D HA -0.220 4.715 4.640 0.493 0.000 0.192 204 D C 2.248 178.551 176.300 0.005 0.000 1.001 204 D CA 1.588 55.570 54.000 -0.031 0.000 0.844 204 D CB -0.413 40.353 40.800 -0.055 0.000 0.944 204 D HN 0.402 nan 8.370 nan 0.000 0.447 205 C N 0.078 119.352 119.300 -0.043 0.000 2.450 205 C HA -0.056 4.700 4.460 0.493 0.000 0.279 205 C C 2.635 177.505 174.990 -0.199 0.000 1.335 205 C CA 0.101 59.110 59.018 -0.014 0.000 1.749 205 C CB -0.693 27.041 27.740 -0.011 0.000 1.963 205 C HN 0.324 nan 8.230 nan 0.000 0.501 206 Q N 1.634 121.241 119.800 -0.322 0.000 2.084 206 Q HA -0.147 4.488 4.340 0.493 0.000 0.202 206 Q C 1.947 177.420 176.000 -0.878 0.000 0.978 206 Q CA 1.740 57.173 55.803 -0.617 0.000 0.844 206 Q CB -0.386 27.974 28.738 -0.630 0.000 0.898 206 Q HN 0.641 nan 8.270 nan 0.000 0.426 207 E N -0.972 118.944 120.200 -0.472 0.000 2.110 207 E HA -0.144 4.501 4.350 0.493 0.000 0.193 207 E C 1.904 178.200 176.600 -0.506 0.000 0.988 207 E CA 1.293 57.556 56.400 -0.229 0.000 0.804 207 E CB 0.039 29.901 29.700 0.270 0.000 0.745 207 E HN 0.202 nan 8.360 nan 0.000 0.458 208 V N 1.455 121.181 119.914 -0.314 0.000 2.427 208 V HA -0.242 4.173 4.120 0.493 0.000 0.248 208 V C 2.175 177.965 176.094 -0.506 0.000 1.051 208 V CA 1.333 63.460 62.300 -0.288 0.000 1.048 208 V CB -0.376 31.438 31.823 -0.014 0.000 0.666 208 V HN 0.264 nan 8.190 nan 0.000 0.456 209 I N -1.041 119.196 120.570 -0.555 0.000 2.127 209 I HA -0.278 4.187 4.170 0.493 0.000 0.241 209 I C 2.502 178.134 176.117 -0.808 0.000 1.075 209 I CA 1.865 62.807 61.300 -0.596 0.000 1.334 209 I CB -0.597 37.050 38.000 -0.588 0.000 1.040 209 I HN 0.247 nan 8.210 nan 0.000 0.405 210 Y N 1.129 120.857 120.300 -0.954 0.000 2.070 210 Y HA -0.266 4.582 4.550 0.496 0.000 0.280 210 Y C 2.734 177.587 175.900 -1.745 0.000 1.148 210 Y CA 0.866 58.123 58.100 -1.405 0.000 1.125 210 Y CB -1.538 36.391 38.460 -0.885 0.000 0.975 210 Y HN 0.138 nan 8.280 nan 0.000 0.492 211 A N 0.365 122.024 122.820 -1.935 0.000 1.849 211 A HA -0.226 4.390 4.320 0.493 0.000 0.217 211 A C 2.345 179.203 177.584 -1.210 0.000 1.202 211 A CA 2.253 52.994 52.037 -2.160 0.000 0.629 211 A CB -1.312 16.012 19.000 -2.793 0.000 0.834 211 A HN 0.361 nan 8.150 nan 0.000 0.447 212 I N -0.789 119.266 120.570 -0.858 0.000 2.091 212 I HA -0.291 4.175 4.170 0.493 0.000 0.239 212 I C 2.736 178.621 176.117 -0.387 0.000 1.061 212 I CA 2.173 63.209 61.300 -0.442 0.000 1.317 212 I CB -0.291 37.563 38.000 -0.243 0.000 1.031 212 I HN 0.379 nan 8.210 nan 0.000 0.401 213 R N -0.437 119.743 120.500 -0.533 0.000 2.075 213 R HA -0.153 4.483 4.340 0.493 0.000 0.232 213 R C 2.348 178.410 176.300 -0.397 0.000 1.126 213 R CA 1.697 57.467 56.100 -0.551 0.000 0.963 213 R CB -0.308 29.402 30.300 -0.983 0.000 0.858 213 R HN 0.537 nan 8.270 nan 0.000 0.435 214 H N -0.148 118.649 119.070 -0.456 0.000 2.307 214 H HA -0.044 4.808 4.556 0.493 0.000 0.303 214 H C 2.308 177.584 175.328 -0.087 0.000 1.073 214 H CA 1.190 57.112 56.048 -0.210 0.000 1.338 214 H CB -0.001 29.604 29.762 -0.261 0.000 1.389 214 H HN 0.109 nan 8.280 nan 0.000 0.503 215 L N 0.722 121.898 121.223 -0.078 0.000 2.021 215 L HA -0.281 4.354 4.340 0.493 0.000 0.215 215 L C 2.938 179.859 176.870 0.084 0.000 1.074 215 L CA 1.062 55.896 54.840 -0.011 0.000 0.760 215 L CB -0.564 41.426 42.059 -0.116 0.000 0.889 215 L HN 0.354 nan 8.230 nan 0.000 0.433 216 A N 0.280 123.125 122.820 0.042 0.000 1.865 216 A HA -0.228 4.388 4.320 0.493 0.000 0.217 216 A C 2.209 179.958 177.584 0.275 0.000 1.191 216 A CA 1.925 54.054 52.037 0.153 0.000 0.623 216 A CB -0.811 18.289 19.000 0.165 0.000 0.826 216 A HN 0.357 nan 8.150 nan 0.000 0.444 217 I N -0.290 120.352 120.570 0.120 0.000 2.151 217 I HA -0.348 4.117 4.170 0.493 0.000 0.243 217 I C 3.022 179.455 176.117 0.527 0.000 1.080 217 I CA 1.229 62.616 61.300 0.145 0.000 1.339 217 I CB -0.427 37.513 38.000 -0.101 0.000 1.039 217 I HN 0.402 nan 8.210 nan 0.000 0.409 218 A N 0.955 124.123 122.820 0.580 0.000 1.851 218 A HA -0.194 4.422 4.320 0.493 0.000 0.216 218 A C 2.473 180.353 177.584 0.494 0.000 1.195 218 A CA 2.157 54.638 52.037 0.741 0.000 0.622 218 A CB -1.672 17.699 19.000 0.618 0.000 0.831 218 A HN 0.469 nan 8.150 nan 0.000 0.444 219 G N -0.816 108.191 108.800 0.345 0.000 2.556 219 G HA2 -0.310 3.945 3.960 0.493 0.000 0.220 219 G HA3 -0.310 3.945 3.960 0.493 0.000 0.220 219 G C 1.785 176.817 174.900 0.220 0.000 1.156 219 G CA 1.188 46.427 45.100 0.231 0.000 0.766 219 G HN 0.561 nan 8.290 nan 0.000 0.583 220 R N -0.598 120.082 120.500 0.301 0.000 2.161 220 R HA 0.131 4.766 4.340 0.493 0.000 0.213 220 R C 2.653 179.090 176.300 0.229 0.000 1.055 220 R CA 0.569 56.830 56.100 0.267 0.000 0.996 220 R CB -0.129 30.382 30.300 0.352 0.000 0.901 220 R HN 0.346 nan 8.270 nan 0.000 0.456 221 V N 1.137 121.222 119.914 0.285 0.000 2.379 221 V HA -0.151 4.265 4.120 0.493 0.000 0.245 221 V C 1.997 178.074 176.094 -0.027 0.000 1.044 221 V CA 1.432 63.790 62.300 0.097 0.000 1.036 221 V CB -0.172 31.629 31.823 -0.037 0.000 0.664 221 V HN 0.265 nan 8.190 nan 0.000 0.453 222 L N 0.349 121.619 121.223 0.079 0.000 2.591 222 L HA 0.308 4.944 4.340 0.493 0.000 0.228 222 L C 1.576 178.478 176.870 0.054 0.000 1.133 222 L CA 0.725 55.599 54.840 0.056 0.000 0.880 222 L CB -0.490 41.673 42.059 0.173 0.000 1.033 222 L HN 0.542 nan 8.230 nan 0.000 0.450 223 G N 1.605 110.447 108.800 0.068 0.000 2.295 223 G HA2 -0.308 3.948 3.960 0.493 0.000 0.287 223 G HA3 -0.308 3.948 3.960 0.493 0.000 0.287 223 G C 0.097 175.037 174.900 0.067 0.000 1.055 223 G CA -0.035 45.100 45.100 0.057 0.000 0.922 223 G HN 0.436 nan 8.290 nan 0.000 0.503 224 R N -0.058 120.495 120.500 0.088 0.000 2.310 224 R HA 0.282 4.918 4.340 0.493 0.000 0.316 224 R C 0.188 176.527 176.300 0.065 0.000 1.004 224 R CA -0.866 55.288 56.100 0.090 0.000 0.900 224 R CB 0.925 31.303 30.300 0.129 0.000 1.152 224 R HN 0.045 nan 8.270 nan 0.000 0.513 225 D N 1.867 122.304 120.400 0.062 0.000 2.221 225 D HA -0.194 4.742 4.640 0.493 0.000 0.204 225 D C 1.421 177.762 176.300 0.067 0.000 0.982 225 D CA 1.483 55.517 54.000 0.058 0.000 0.857 225 D CB 0.237 41.117 40.800 0.133 0.000 0.934 225 D HN 0.600 nan 8.370 nan 0.000 0.475 226 D N 0.304 120.756 120.400 0.087 0.000 2.224 226 D HA -0.132 4.804 4.640 0.493 0.000 0.205 226 D C 2.191 178.553 176.300 0.103 0.000 0.965 226 D CA 0.384 54.444 54.000 0.101 0.000 0.852 226 D CB -0.606 40.256 40.800 0.102 0.000 0.947 226 D HN 0.269 nan 8.370 nan 0.000 0.494 227 L N -0.038 121.245 121.223 0.100 0.000 2.131 227 L HA 0.014 4.650 4.340 0.493 0.000 0.206 227 L C 2.766 179.677 176.870 0.069 0.000 1.087 227 L CA 0.366 55.273 54.840 0.110 0.000 0.767 227 L CB -0.315 41.840 42.059 0.160 0.000 0.917 227 L HN -0.040 nan 8.230 nan 0.000 0.441 228 L N -0.428 120.786 121.223 -0.016 0.000 2.046 228 L HA -0.204 4.432 4.340 0.493 0.000 0.208 228 L C 2.205 179.088 176.870 0.022 0.000 1.077 228 L CA 1.046 55.810 54.840 -0.127 0.000 0.747 228 L CB -0.766 40.897 42.059 -0.661 0.000 0.896 228 L HN 0.271 nan 8.230 nan 0.000 0.432 229 D N 0.631 121.090 120.400 0.098 0.000 2.097 229 D HA -0.164 4.772 4.640 0.493 0.000 0.195 229 D C 2.283 178.683 176.300 0.167 0.000 0.989 229 D CA 1.603 55.712 54.000 0.182 0.000 0.827 229 D CB -0.113 40.791 40.800 0.174 0.000 0.966 229 D HN 0.312 nan 8.370 nan 0.000 0.456 230 A N 0.559 123.477 122.820 0.162 0.000 1.883 230 A HA -0.202 4.414 4.320 0.493 0.000 0.217 230 A C 2.367 180.116 177.584 0.274 0.000 1.186 230 A CA 2.253 54.425 52.037 0.225 0.000 0.624 230 A CB -0.827 18.293 19.000 0.199 0.000 0.822 230 A HN 0.234 nan 8.150 nan 0.000 0.444 231 S N -0.876 114.911 115.700 0.145 0.000 2.356 231 S HA -0.214 4.551 4.470 0.493 0.000 0.223 231 S C 2.236 176.930 174.600 0.158 0.000 1.032 231 S CA 1.585 59.838 58.200 0.088 0.000 1.005 231 S CB -0.392 62.833 63.200 0.041 0.000 0.867 231 S HN 0.614 nan 8.310 nan 0.000 0.449 232 R N 0.904 121.501 120.500 0.162 0.000 2.083 232 R HA -0.114 4.521 4.340 0.493 0.000 0.237 232 R C 2.516 178.895 176.300 0.132 0.000 1.137 232 R CA 1.805 57.996 56.100 0.152 0.000 0.951 232 R CB -0.364 30.045 30.300 0.181 0.000 0.851 232 R HN 0.360 nan 8.270 nan 0.000 0.434 233 K N -0.414 120.077 120.400 0.151 0.000 2.044 233 K HA -0.209 4.407 4.320 0.493 0.000 0.210 233 K C 1.867 178.485 176.600 0.032 0.000 1.049 233 K CA 2.019 58.355 56.287 0.081 0.000 0.927 233 K CB -0.245 32.303 32.500 0.080 0.000 0.713 233 K HN 0.249 nan 8.250 nan 0.000 0.443 234 W N 0.941 122.213 121.300 -0.046 0.000 2.354 234 W HA -0.174 4.781 4.660 0.490 0.000 0.315 234 W C 2.106 178.525 176.519 -0.166 0.000 1.206 234 W CA 0.598 57.881 57.345 -0.103 0.000 1.290 234 W CB -0.797 28.582 29.460 -0.136 0.000 1.152 234 W HN 0.134 nan 8.180 nan 0.000 0.489 235 L N 0.166 121.460 121.223 0.119 0.000 2.042 235 L HA -0.207 4.429 4.340 0.493 0.000 0.210 235 L C 2.111 178.938 176.870 -0.071 0.000 1.076 235 L CA 1.927 56.767 54.840 -0.000 0.000 0.749 235 L CB -0.969 41.118 42.059 0.047 0.000 0.893 235 L HN 0.004 nan 8.230 nan 0.000 0.432 236 L N -1.199 120.001 121.223 -0.038 0.000 2.072 236 L HA -0.098 4.538 4.340 0.493 0.000 0.205 236 L C 2.659 179.462 176.870 -0.112 0.000 1.079 236 L CA 0.946 55.752 54.840 -0.058 0.000 0.752 236 L CB -0.936 41.111 42.059 -0.020 0.000 0.906 236 L HN 0.327 nan 8.230 nan 0.000 0.436 237 A N -0.182 122.558 122.820 -0.133 0.000 1.940 237 A HA -0.159 4.456 4.320 0.493 0.000 0.219 237 A C 2.315 179.675 177.584 -0.374 0.000 1.176 237 A CA 1.978 53.926 52.037 -0.148 0.000 0.631 237 A CB -0.731 18.182 19.000 -0.146 0.000 0.814 237 A HN 0.220 nan 8.150 nan 0.000 0.446 238 V N -0.610 118.927 119.914 -0.628 0.000 2.346 238 V HA -0.106 4.309 4.120 0.493 0.000 0.244 238 V C 2.975 178.650 176.094 -0.698 0.000 1.037 238 V CA 1.536 63.081 62.300 -1.258 0.000 1.029 238 V CB -1.100 30.124 31.823 -0.999 0.000 0.663 238 V HN 0.582 nan 8.190 nan 0.000 0.454 239 A N 0.092 122.706 122.820 -0.343 0.000 2.076 239 A HA -0.077 4.538 4.320 0.493 0.000 0.220 239 A C 2.233 179.759 177.584 -0.098 0.000 1.160 239 A CA 1.874 53.809 52.037 -0.170 0.000 0.653 239 A CB -0.508 18.432 19.000 -0.100 0.000 0.801 239 A HN 0.576 nan 8.150 nan 0.000 0.455 240 A N -1.602 121.159 122.820 -0.098 0.000 2.123 240 A HA 0.214 4.830 4.320 0.493 0.000 0.214 240 A C 0.483 178.161 177.584 0.157 0.000 1.152 240 A CA -0.251 51.797 52.037 0.019 0.000 0.728 240 A CB -0.335 18.682 19.000 0.028 0.000 0.814 240 A HN 0.554 nan 8.150 nan 0.000 0.464 241 W N 0.798 122.067 121.300 -0.051 0.000 2.148 241 W HA 0.250 5.202 4.660 0.487 0.000 0.347 241 W C 0.102 176.581 176.519 -0.066 0.000 1.288 241 W CA -0.899 56.407 57.345 -0.065 0.000 1.252 241 W CB -0.211 29.206 29.460 -0.071 0.000 1.156 241 W HN 0.194 nan 8.180 nan 0.000 0.580 242 D N 1.211 121.695 120.400 0.139 0.000 2.363 242 D HA -0.023 4.912 4.640 0.493 0.000 0.263 242 D C 1.546 177.865 176.300 0.031 0.000 1.258 242 D CA 0.367 54.390 54.000 0.037 0.000 0.907 242 D CB 0.699 41.475 40.800 -0.040 0.000 1.107 242 D HN 0.372 nan 8.370 nan 0.000 0.495 243 T N 1.299 115.872 114.554 0.030 0.000 2.881 243 T HA -0.146 4.499 4.350 0.493 0.000 0.270 243 T C 1.241 175.939 174.700 -0.003 0.000 1.068 243 T CA 0.954 63.065 62.100 0.019 0.000 1.131 243 T CB -0.018 68.859 68.868 0.015 0.000 0.871 243 T HN 0.379 nan 8.240 nan 0.000 0.479 244 K N 1.013 121.403 120.400 -0.018 0.000 2.373 244 K HA 0.359 4.975 4.320 0.493 0.000 0.202 244 K C 1.407 177.963 176.600 -0.073 0.000 1.025 244 K CA -0.214 56.056 56.287 -0.028 0.000 1.115 244 K CB 0.663 33.154 32.500 -0.016 0.000 0.858 244 K HN 0.435 nan 8.250 nan 0.000 0.525 245 G N 0.686 109.424 108.800 -0.104 0.000 2.546 245 G HA2 0.233 4.488 3.960 0.493 0.000 0.239 245 G HA3 0.233 4.488 3.960 0.493 0.000 0.239 245 G C 1.061 175.762 174.900 -0.332 0.000 1.476 245 G CA 0.200 45.173 45.100 -0.210 0.000 1.064 245 G HN 0.104 nan 8.290 nan 0.000 0.561 246 A N -0.813 121.717 122.820 -0.484 0.000 1.883 246 A HA -0.044 4.571 4.320 0.493 0.000 0.217 246 A C 2.319 179.773 177.584 -0.217 0.000 1.186 246 A CA 2.810 54.452 52.037 -0.659 0.000 0.624 246 A CB -1.293 17.345 19.000 -0.603 0.000 0.822 246 A HN 1.079 nan 8.150 nan 0.000 0.444 247 T N -0.474 113.989 114.554 -0.150 0.000 3.380 247 T HA 0.255 4.901 4.350 0.493 0.000 0.250 247 T C 0.655 175.349 174.700 -0.009 0.000 1.082 247 T CA 0.422 62.498 62.100 -0.040 0.000 0.968 247 T CB -1.167 67.725 68.868 0.041 0.000 1.027 247 T HN 0.572 nan 8.240 nan 0.000 0.575 248 S N 0.248 115.940 115.700 -0.013 0.000 2.603 248 S HA 0.344 5.109 4.470 0.493 0.000 0.268 248 S C 1.350 175.928 174.600 -0.037 0.000 1.317 248 S CA -1.056 57.137 58.200 -0.011 0.000 1.012 248 S CB 1.534 64.734 63.200 0.000 0.000 0.926 248 S HN 0.358 nan 8.310 nan 0.000 0.539 249 R N 0.975 121.429 120.500 -0.076 0.000 2.103 249 R HA -0.180 4.456 4.340 0.493 0.000 0.242 249 R C 2.366 178.585 176.300 -0.135 0.000 1.142 249 R CA 1.743 57.749 56.100 -0.157 0.000 0.960 249 R CB -1.255 28.958 30.300 -0.144 0.000 0.858 249 R HN 0.889 nan 8.270 nan 0.000 0.439 250 A N -0.198 122.584 122.820 -0.064 0.000 1.883 250 A HA -0.238 4.377 4.320 0.493 0.000 0.217 250 A C 2.039 179.644 177.584 0.035 0.000 1.186 250 A CA 1.517 53.542 52.037 -0.021 0.000 0.624 250 A CB -0.848 18.166 19.000 0.023 0.000 0.822 250 A HN 0.576 nan 8.150 nan 0.000 0.444 251 Y N -0.681 119.586 120.300 -0.054 0.000 2.243 251 Y HA 0.083 4.928 4.550 0.492 0.000 0.293 251 Y C 0.646 176.567 175.900 0.035 0.000 1.124 251 Y CA 1.548 59.634 58.100 -0.024 0.000 1.159 251 Y CB 0.414 38.822 38.460 -0.087 0.000 1.008 251 Y HN 0.396 nan 8.280 nan 0.000 0.527 252 N N 0.364 119.129 118.700 0.109 0.000 2.827 252 N HA 0.022 5.058 4.740 0.493 0.000 0.240 252 N C -0.483 174.966 175.510 -0.103 0.000 1.352 252 N CA 0.311 53.422 53.050 0.102 0.000 0.760 252 N CB 0.232 38.835 38.487 0.194 0.000 1.426 252 N HN 0.360 nan 8.380 nan 0.000 0.561 253 D N 1.478 121.731 120.400 -0.246 0.000 2.218 253 D HA -0.165 4.770 4.640 0.493 0.000 0.204 253 D C 0.832 176.447 176.300 -1.140 0.000 0.976 253 D CA 1.207 54.775 54.000 -0.721 0.000 0.853 253 D CB 0.343 40.658 40.800 -0.808 0.000 0.939 253 D HN 0.455 nan 8.370 nan 0.000 0.481 254 E N 0.805 120.627 120.200 -0.631 0.000 2.077 254 E HA -0.109 4.537 4.350 0.493 0.000 0.193 254 E C 2.256 178.618 176.600 -0.396 0.000 0.989 254 E CA 1.301 57.367 56.400 -0.558 0.000 0.800 254 E CB -0.355 29.042 29.700 -0.505 0.000 0.746 254 E HN 0.482 nan 8.360 nan 0.000 0.452 255 A N 1.428 124.094 122.820 -0.257 0.000 1.902 255 A HA -0.067 4.548 4.320 0.493 0.000 0.217 255 A C 2.482 179.992 177.584 -0.124 0.000 1.181 255 A CA 1.898 53.847 52.037 -0.146 0.000 0.623 255 A CB -1.119 17.830 19.000 -0.084 0.000 0.818 255 A HN 0.329 nan 8.150 nan 0.000 0.443 256 G N -0.561 108.129 108.800 -0.184 0.000 2.480 256 G HA2 -0.172 4.083 3.960 0.493 0.000 0.216 256 G HA3 -0.172 4.083 3.960 0.493 0.000 0.216 256 G C 1.310 176.194 174.900 -0.027 0.000 1.200 256 G CA 1.205 46.230 45.100 -0.125 0.000 0.782 256 G HN 0.338 nan 8.290 nan 0.000 0.554 257 F N 1.280 121.148 119.950 -0.136 0.000 2.063 257 F HA -0.159 4.603 4.527 0.392 0.000 0.298 257 F C 2.889 178.597 175.800 -0.154 0.000 1.105 257 F CA 1.567 59.467 58.000 -0.167 0.000 1.215 257 F CB -1.091 37.765 39.000 -0.240 0.000 0.972 257 F HN 0.069 nan 8.300 nan 0.000 0.483 258 R N -0.217 120.294 120.500 0.018 0.000 2.081 258 R HA -0.112 4.524 4.340 0.493 0.000 0.235 258 R C 2.244 178.506 176.300 -0.062 0.000 1.131 258 R CA 1.376 57.431 56.100 -0.074 0.000 0.960 258 R CB -0.811 29.389 30.300 -0.165 0.000 0.856 258 R HN 0.165 nan 8.270 nan 0.000 0.436 259 V N 0.519 120.417 119.914 -0.027 0.000 2.295 259 V HA -0.237 4.179 4.120 0.493 0.000 0.246 259 V C 2.331 178.398 176.094 -0.046 0.000 1.049 259 V CA 1.717 63.998 62.300 -0.033 0.000 1.024 259 V CB -0.321 31.524 31.823 0.036 0.000 0.648 259 V HN 0.136 nan 8.190 nan 0.000 0.447 260 V N -0.258 119.648 119.914 -0.014 0.000 2.282 260 V HA -0.269 4.147 4.120 0.493 0.000 0.249 260 V C 2.411 178.503 176.094 -0.002 0.000 1.057 260 V CA 2.097 64.389 62.300 -0.014 0.000 1.032 260 V CB -0.731 31.091 31.823 -0.003 0.000 0.645 260 V HN 0.406 nan 8.190 nan 0.000 0.447 261 V N 0.357 120.281 119.914 0.017 0.000 2.255 261 V HA -0.313 4.103 4.120 0.493 0.000 0.247 261 V C 2.777 178.960 176.094 0.148 0.000 1.051 261 V CA 2.264 64.616 62.300 0.088 0.000 1.018 261 V CB -1.323 30.556 31.823 0.094 0.000 0.641 261 V HN 0.573 nan 8.190 nan 0.000 0.445 262 A N -0.212 122.621 122.820 0.022 0.000 1.892 262 A HA -0.231 4.385 4.320 0.493 0.000 0.218 262 A C 2.233 179.834 177.584 0.028 0.000 1.188 262 A CA 2.260 54.279 52.037 -0.029 0.000 0.631 262 A CB -0.694 18.208 19.000 -0.163 0.000 0.822 262 A HN 0.510 nan 8.150 nan 0.000 0.447 263 L N -0.921 120.296 121.223 -0.011 0.000 2.012 263 L HA -0.260 4.376 4.340 0.493 0.000 0.210 263 L C 3.156 180.073 176.870 0.078 0.000 1.073 263 L CA 1.255 56.097 54.840 0.004 0.000 0.748 263 L CB -0.735 41.295 42.059 -0.048 0.000 0.891 263 L HN 0.474 nan 8.230 nan 0.000 0.431 264 A N -0.538 122.313 122.820 0.052 0.000 1.892 264 A HA -0.261 4.355 4.320 0.493 0.000 0.218 264 A C 1.923 179.543 177.584 0.059 0.000 1.188 264 A CA 1.971 54.023 52.037 0.025 0.000 0.631 264 A CB -1.028 17.923 19.000 -0.082 0.000 0.822 264 A HN 0.526 nan 8.150 nan 0.000 0.447 265 W N -0.583 120.758 121.300 0.069 0.000 2.407 265 W HA 0.106 5.059 4.660 0.488 0.000 0.305 265 W C 2.616 179.210 176.519 0.125 0.000 1.196 265 W CA 1.033 58.423 57.345 0.075 0.000 1.311 265 W CB -0.667 28.739 29.460 -0.091 0.000 1.135 265 W HN 0.373 nan 8.180 nan 0.000 0.514 266 G N -0.564 108.414 108.800 0.297 0.000 2.446 266 G HA2 -0.384 3.871 3.960 0.493 0.000 0.217 266 G HA3 -0.384 3.871 3.960 0.493 0.000 0.217 266 G C 1.255 176.307 174.900 0.253 0.000 1.168 266 G CA 1.269 46.503 45.100 0.223 0.000 0.771 266 G HN 0.325 nan 8.290 nan 0.000 0.551 267 Y N 1.457 121.821 120.300 0.107 0.000 2.224 267 Y HA -0.123 4.724 4.550 0.495 0.000 0.289 267 Y C 2.372 178.310 175.900 0.064 0.000 1.146 267 Y CA 2.032 60.176 58.100 0.073 0.000 1.182 267 Y CB -0.151 38.326 38.460 0.028 0.000 0.983 267 Y HN 0.329 nan 8.280 nan 0.000 0.524 268 D N -1.446 119.019 120.400 0.109 0.000 2.162 268 D HA -0.162 4.774 4.640 0.493 0.000 0.203 268 D C 1.405 177.773 176.300 0.113 0.000 0.967 268 D CA 1.407 55.407 54.000 -0.000 0.000 0.840 268 D CB -0.388 40.509 40.800 0.162 0.000 0.972 268 D HN 0.354 nan 8.370 nan 0.000 0.482 269 W N -0.079 121.276 121.300 0.092 0.000 2.996 269 W HA 0.353 5.308 4.660 0.491 0.000 0.270 269 W C 1.350 177.942 176.519 0.121 0.000 1.280 269 W CA 0.034 57.470 57.345 0.151 0.000 1.549 269 W CB 0.135 29.749 29.460 0.256 0.000 1.079 269 W HN -0.049 nan 8.180 nan 0.000 0.629 270 L N -0.627 120.765 121.223 0.281 0.000 2.667 270 L HA 0.079 4.714 4.340 0.493 0.000 0.232 270 L C 1.726 178.667 176.870 0.119 0.000 1.138 270 L CA -0.196 54.769 54.840 0.208 0.000 0.921 270 L CB -0.682 41.496 42.059 0.198 0.000 1.180 270 L HN -0.056 nan 8.230 nan 0.000 0.487 271 Y N 1.811 122.032 120.300 -0.132 0.000 2.102 271 Y HA -0.364 4.481 4.550 0.492 0.000 0.280 271 Y C 2.170 178.002 175.900 -0.114 0.000 1.178 271 Y CA 2.157 60.083 58.100 -0.290 0.000 1.146 271 Y CB 0.116 38.292 38.460 -0.472 0.000 0.968 271 Y HN 0.310 nan 8.280 nan 0.000 0.504 272 D N -2.238 118.232 120.400 0.117 0.000 2.234 272 D HA -0.136 4.799 4.640 0.493 0.000 0.205 272 D C 1.658 177.991 176.300 0.055 0.000 0.962 272 D CA 1.344 55.386 54.000 0.070 0.000 0.855 272 D CB -0.413 40.457 40.800 0.117 0.000 0.951 272 D HN 0.505 nan 8.370 nan 0.000 0.500 273 H N 0.064 119.134 119.070 0.001 0.000 2.512 273 H HA 0.176 5.027 4.556 0.492 0.000 0.279 273 H C 0.734 176.053 175.328 -0.015 0.000 0.999 273 H CA 0.287 56.343 56.048 0.013 0.000 1.283 273 H CB 0.091 29.886 29.762 0.055 0.000 1.421 273 H HN -0.035 nan 8.280 nan 0.000 0.554 274 L N 0.711 121.911 121.223 -0.038 0.000 2.466 274 L HA 0.147 4.782 4.340 0.493 0.000 0.257 274 L C 0.867 177.651 176.870 -0.143 0.000 1.189 274 L CA -0.306 54.478 54.840 -0.094 0.000 0.813 274 L CB 0.945 42.950 42.059 -0.091 0.000 1.118 274 L HN 0.249 nan 8.230 nan 0.000 0.471 275 S N -0.645 114.985 115.700 -0.116 0.000 2.707 275 S HA 0.180 4.946 4.470 0.493 0.000 0.276 275 S C 0.804 175.345 174.600 -0.097 0.000 1.179 275 S CA -0.705 57.433 58.200 -0.103 0.000 0.992 275 S CB 1.607 64.760 63.200 -0.078 0.000 1.030 275 S HN 0.588 nan 8.310 nan 0.000 0.554 276 E N 1.237 121.389 120.200 -0.080 0.000 2.086 276 E HA -0.216 4.429 4.350 0.493 0.000 0.205 276 E C 1.343 177.916 176.600 -0.046 0.000 1.027 276 E CA 2.153 58.514 56.400 -0.065 0.000 0.830 276 E CB -0.685 28.990 29.700 -0.042 0.000 0.751 276 E HN 0.755 nan 8.360 nan 0.000 0.456 277 D N 0.119 120.498 120.400 -0.035 0.000 2.084 277 D HA -0.123 4.812 4.640 0.493 0.000 0.196 277 D C 1.959 178.251 176.300 -0.015 0.000 0.985 277 D CA 1.074 55.062 54.000 -0.020 0.000 0.826 277 D CB -0.495 40.295 40.800 -0.017 0.000 0.978 277 D HN 0.347 nan 8.370 nan 0.000 0.456 278 E N 0.568 120.755 120.200 -0.022 0.000 2.114 278 E HA -0.199 4.447 4.350 0.493 0.000 0.199 278 E C 2.212 178.822 176.600 0.017 0.000 1.008 278 E CA 0.885 57.280 56.400 -0.008 0.000 0.810 278 E CB -0.034 29.655 29.700 -0.018 0.000 0.739 278 E HN 0.226 nan 8.360 nan 0.000 0.456 279 R N 0.317 120.812 120.500 -0.009 0.000 2.073 279 R HA -0.116 4.519 4.340 0.493 0.000 0.234 279 R C 2.516 178.890 176.300 0.124 0.000 1.134 279 R CA 1.323 57.457 56.100 0.057 0.000 0.952 279 R CB -0.254 29.981 30.300 -0.110 0.000 0.850 279 R HN 0.097 nan 8.270 nan 0.000 0.433 280 R N 0.266 120.795 120.500 0.049 0.000 2.073 280 R HA -0.077 4.558 4.340 0.493 0.000 0.229 280 R C 1.889 178.198 176.300 0.016 0.000 1.120 280 R CA 1.769 57.891 56.100 0.037 0.000 0.967 280 R CB -0.162 30.150 30.300 0.020 0.000 0.862 280 R HN 0.107 nan 8.270 nan 0.000 0.436 281 T N 0.605 115.166 114.554 0.011 0.000 2.684 281 T HA -0.128 4.517 4.350 0.493 0.000 0.267 281 T C 1.843 176.537 174.700 -0.009 0.000 1.036 281 T CA 1.616 63.716 62.100 0.000 0.000 1.148 281 T CB -0.219 68.648 68.868 -0.002 0.000 0.863 281 T HN 0.033 nan 8.240 nan 0.000 0.436 282 V N 1.273 121.193 119.914 0.010 0.000 2.244 282 V HA -0.143 4.272 4.120 0.493 0.000 0.244 282 V C 2.637 178.660 176.094 -0.119 0.000 1.042 282 V CA 1.827 64.122 62.300 -0.009 0.000 1.006 282 V CB -0.609 31.274 31.823 0.100 0.000 0.641 282 V HN 0.342 nan 8.190 nan 0.000 0.446 283 R N -0.166 120.223 120.500 -0.185 0.000 2.103 283 R HA -0.219 4.416 4.340 0.493 0.000 0.242 283 R C 2.582 178.783 176.300 -0.166 0.000 1.142 283 R CA 2.041 57.926 56.100 -0.359 0.000 0.960 283 R CB -0.483 29.684 30.300 -0.221 0.000 0.858 283 R HN 0.465 nan 8.270 nan 0.000 0.439 284 S N -0.603 115.052 115.700 -0.076 0.000 2.353 284 S HA -0.108 4.658 4.470 0.493 0.000 0.222 284 S C 1.819 176.399 174.600 -0.034 0.000 1.035 284 S CA 1.533 59.712 58.200 -0.035 0.000 1.025 284 S CB -0.091 63.100 63.200 -0.015 0.000 0.902 284 S HN 0.274 nan 8.310 nan 0.000 0.440 285 V N 1.939 121.826 119.914 -0.045 0.000 2.548 285 V HA -0.077 4.339 4.120 0.493 0.000 0.249 285 V C 2.285 178.349 176.094 -0.051 0.000 1.055 285 V CA 1.470 63.746 62.300 -0.039 0.000 1.065 285 V CB -0.680 31.117 31.823 -0.042 0.000 0.681 285 V HN 0.436 nan 8.190 nan 0.000 0.462 286 L N 0.016 121.185 121.223 -0.090 0.000 2.017 286 L HA -0.114 4.522 4.340 0.493 0.000 0.208 286 L C 2.207 179.049 176.870 -0.047 0.000 1.073 286 L CA 1.912 56.693 54.840 -0.098 0.000 0.745 286 L CB -0.668 41.273 42.059 -0.197 0.000 0.894 286 L HN 0.267 nan 8.230 nan 0.000 0.432 287 L N -0.302 120.903 121.223 -0.029 0.000 2.046 287 L HA -0.209 4.427 4.340 0.493 0.000 0.208 287 L C 2.529 179.460 176.870 0.102 0.000 1.077 287 L CA 2.031 56.914 54.840 0.072 0.000 0.747 287 L CB -0.679 41.417 42.059 0.062 0.000 0.896 287 L HN 0.530 nan 8.230 nan 0.000 0.432 288 E N -0.742 119.488 120.200 0.049 0.000 2.047 288 E HA -0.231 4.414 4.350 0.493 0.000 0.191 288 E C 2.343 178.948 176.600 0.009 0.000 0.987 288 E CA 0.952 57.379 56.400 0.044 0.000 0.799 288 E CB -0.021 29.695 29.700 0.027 0.000 0.752 288 E HN 0.468 nan 8.360 nan 0.000 0.449 289 R N -0.304 120.191 120.500 -0.009 0.000 2.081 289 R HA -0.076 4.560 4.340 0.493 0.000 0.235 289 R C 2.427 178.691 176.300 -0.061 0.000 1.131 289 R CA 1.769 57.853 56.100 -0.026 0.000 0.960 289 R CB -0.325 29.962 30.300 -0.021 0.000 0.856 289 R HN 0.198 nan 8.270 nan 0.000 0.436 290 T N 0.505 115.017 114.554 -0.071 0.000 2.777 290 T HA -0.144 4.502 4.350 0.493 0.000 0.266 290 T C 1.752 176.220 174.700 -0.386 0.000 1.040 290 T CA 1.078 63.080 62.100 -0.164 0.000 1.141 290 T CB -0.169 68.660 68.868 -0.065 0.000 0.868 290 T HN 0.283 nan 8.240 nan 0.000 0.444 291 R N 1.034 121.372 120.500 -0.269 0.000 2.083 291 R HA -0.155 4.481 4.340 0.493 0.000 0.237 291 R C 2.473 178.635 176.300 -0.230 0.000 1.137 291 R CA 1.816 57.738 56.100 -0.296 0.000 0.951 291 R CB -0.221 30.137 30.300 0.097 0.000 0.851 291 R HN 0.504 nan 8.270 nan 0.000 0.434 292 E N -0.349 119.776 120.200 -0.124 0.000 2.097 292 E HA -0.199 4.447 4.350 0.493 0.000 0.196 292 E C 1.834 178.354 176.600 -0.132 0.000 1.000 292 E CA 1.790 58.133 56.400 -0.096 0.000 0.804 292 E CB 0.099 29.761 29.700 -0.063 0.000 0.740 292 E HN 0.235 nan 8.360 nan 0.000 0.454 293 V N 0.951 120.775 119.914 -0.151 0.000 2.270 293 V HA -0.235 4.180 4.120 0.493 0.000 0.245 293 V C 2.445 178.411 176.094 -0.212 0.000 1.043 293 V CA 1.735 63.968 62.300 -0.110 0.000 1.014 293 V CB -0.800 30.968 31.823 -0.093 0.000 0.645 293 V HN 0.437 nan 8.190 nan 0.000 0.447 294 A N 0.020 122.557 122.820 -0.471 0.000 1.892 294 A HA -0.301 4.314 4.320 0.493 0.000 0.218 294 A C 1.988 179.350 177.584 -0.371 0.000 1.188 294 A CA 2.303 53.926 52.037 -0.691 0.000 0.631 294 A CB -0.757 17.178 19.000 -1.775 0.000 0.822 294 A HN 0.559 nan 8.150 nan 0.000 0.447 295 D N -1.393 118.878 120.400 -0.215 0.000 2.087 295 D HA -0.183 4.752 4.640 0.493 0.000 0.192 295 D C 1.848 178.203 176.300 0.091 0.000 0.993 295 D CA 1.590 55.615 54.000 0.042 0.000 0.828 295 D CB -0.724 40.167 40.800 0.152 0.000 0.968 295 D HN 0.684 nan 8.370 nan 0.000 0.448 296 H N 0.729 119.639 119.070 -0.266 0.000 2.319 296 H HA -0.117 4.541 4.556 0.171 0.000 0.297 296 H C 2.045 177.346 175.328 -0.045 0.000 1.097 296 H CA 1.480 57.309 56.048 -0.364 0.000 1.285 296 H CB -0.072 29.488 29.762 -0.336 0.000 1.368 296 H HN -0.036 nan 8.280 nan 0.000 0.495 297 V N 0.810 120.654 119.914 -0.116 0.000 2.323 297 V HA -0.207 4.208 4.120 0.493 0.000 0.244 297 V C 2.750 178.771 176.094 -0.123 0.000 1.041 297 V CA 1.780 64.000 62.300 -0.133 0.000 1.025 297 V CB -0.309 31.452 31.823 -0.104 0.000 0.656 297 V HN 0.328 nan 8.190 nan 0.000 0.451 298 I N -0.309 120.160 120.570 -0.168 0.000 2.429 298 I HA 0.012 4.477 4.170 0.493 0.000 0.247 298 I C 2.423 178.613 176.117 0.123 0.000 1.099 298 I CA 1.260 62.435 61.300 -0.207 0.000 1.422 298 I CB -0.369 37.356 38.000 -0.458 0.000 1.112 298 I HN 0.223 nan 8.210 nan 0.000 0.430 299 A N -0.291 122.616 122.820 0.145 0.000 1.942 299 A HA -0.011 4.604 4.320 0.493 0.000 0.209 299 A C 1.955 179.608 177.584 0.116 0.000 1.214 299 A CA 0.756 52.903 52.037 0.183 0.000 0.686 299 A CB -0.563 18.544 19.000 0.180 0.000 0.871 299 A HN 0.292 nan 8.150 nan 0.000 0.460 300 H N -0.012 119.038 119.070 -0.033 0.000 2.290 300 H HA 0.234 5.093 4.556 0.506 0.000 0.306 300 H C 2.459 177.709 175.328 -0.130 0.000 1.049 300 H CA 1.755 57.758 56.048 -0.076 0.000 1.288 300 H CB -0.581 29.123 29.762 -0.098 0.000 1.406 300 H HN 0.413 nan 8.280 nan 0.000 0.515 301 A N 0.413 123.161 122.820 -0.120 0.000 2.015 301 A HA -0.087 4.529 4.320 0.493 0.000 0.219 301 A C 0.682 178.276 177.584 0.017 0.000 1.163 301 A CA 0.575 52.547 52.037 -0.109 0.000 0.646 301 A CB -0.312 18.566 19.000 -0.204 0.000 0.806 301 A HN 0.412 nan 8.150 nan 0.000 0.448 302 R N -0.754 119.759 120.500 0.022 0.000 3.022 302 R HA -0.193 4.443 4.340 0.493 0.000 0.248 302 R C 0.643 176.905 176.300 -0.063 0.000 0.874 302 R CA 0.774 56.858 56.100 -0.027 0.000 0.626 302 R CB -1.778 28.493 30.300 -0.047 0.000 1.255 302 R HN 0.859 nan 8.270 nan 0.000 0.496 303 I N -1.497 119.112 120.570 0.065 0.000 3.083 303 I HA -0.138 4.328 4.170 0.493 0.000 0.273 303 I C 1.930 178.143 176.117 0.161 0.000 1.297 303 I CA 0.999 62.338 61.300 0.065 0.000 1.452 303 I CB -0.331 37.637 38.000 -0.053 0.000 1.078 303 I HN 0.346 nan 8.210 nan 0.000 0.484 304 H N 0.221 119.368 119.070 0.129 0.000 2.539 304 H HA 0.283 5.128 4.556 0.482 0.000 0.267 304 H C 1.370 176.641 175.328 -0.095 0.000 0.982 304 H CA 0.473 56.501 56.048 -0.035 0.000 1.146 304 H CB -0.209 29.607 29.762 0.090 0.000 1.382 304 H HN 0.426 nan 8.280 nan 0.000 0.577 305 V N -0.722 118.978 119.914 -0.356 0.000 3.102 305 V HA 0.136 4.551 4.120 0.493 0.000 0.225 305 V C -0.039 175.708 176.094 -0.578 0.000 1.301 305 V CA 0.137 62.159 62.300 -0.464 0.000 1.308 305 V CB 0.087 31.620 31.823 -0.482 0.000 1.129 305 V HN 0.051 nan 8.190 nan 0.000 0.502 306 F N 2.913 122.793 119.950 -0.117 0.000 2.291 306 F HA 0.460 5.275 4.527 0.481 0.000 0.368 306 F C -1.742 174.012 175.800 -0.077 0.000 1.085 306 F CA -2.045 55.928 58.000 -0.044 0.000 1.165 306 F CB 1.050 40.044 39.000 -0.009 0.000 1.429 306 F HN 0.113 nan 8.300 nan 0.000 0.503 307 P HA -0.078 nan 4.420 nan 0.000 0.235 307 P C 0.031 177.074 177.300 -0.429 0.000 1.177 307 P CA 0.729 63.650 63.100 -0.299 0.000 0.785 307 P CB -0.001 31.356 31.700 -0.571 0.000 0.885 308 Y N 1.217 121.404 120.300 -0.187 0.000 2.734 308 Y HA 0.229 5.073 4.550 0.490 0.000 0.353 308 Y C 0.575 176.568 175.900 0.155 0.000 1.244 308 Y CA -0.162 57.798 58.100 -0.233 0.000 1.950 308 Y CB -0.707 37.654 38.460 -0.164 0.000 2.028 308 Y HN -0.087 nan 8.280 nan 0.000 0.421 309 D N 0.114 120.693 120.400 0.300 0.000 2.469 309 D HA 0.095 5.030 4.640 0.493 0.000 0.251 309 D C 0.838 177.425 176.300 0.478 0.000 1.173 309 D CA 0.002 54.215 54.000 0.356 0.000 0.882 309 D CB 1.711 42.641 40.800 0.216 0.000 1.129 309 D HN 0.316 nan 8.370 nan 0.000 0.549 310 S N 2.796 118.814 115.700 0.530 0.000 2.392 310 S HA -0.249 4.516 4.470 0.493 0.000 0.225 310 S C 1.577 176.454 174.600 0.462 0.000 1.041 310 S CA 1.534 60.011 58.200 0.461 0.000 1.100 310 S CB -0.303 63.057 63.200 0.267 0.000 1.029 310 S HN 0.673 nan 8.310 nan 0.000 0.424 311 H N 0.195 119.436 119.070 0.286 0.000 2.423 311 H HA 0.046 4.857 4.556 0.425 0.000 0.297 311 H C 2.405 177.866 175.328 0.221 0.000 1.075 311 H CA 0.635 56.858 56.048 0.292 0.000 1.342 311 H CB -0.157 29.834 29.762 0.381 0.000 1.395 311 H HN 0.523 nan 8.280 nan 0.000 0.530 312 A N 0.771 123.811 122.820 0.366 0.000 1.841 312 A HA -0.136 4.479 4.320 0.493 0.000 0.214 312 A C 2.643 180.266 177.584 0.066 0.000 1.195 312 A CA 1.425 53.584 52.037 0.203 0.000 0.611 312 A CB -0.919 18.172 19.000 0.151 0.000 0.835 312 A HN 0.173 nan 8.150 nan 0.000 0.443 313 V N 0.523 120.517 119.914 0.133 0.000 2.252 313 V HA -0.345 4.071 4.120 0.493 0.000 0.249 313 V C 2.723 178.918 176.094 0.168 0.000 1.056 313 V CA 2.623 65.007 62.300 0.139 0.000 1.022 313 V CB -0.907 31.118 31.823 0.337 0.000 0.641 313 V HN 0.720 nan 8.190 nan 0.000 0.445 314 R N 0.779 121.405 120.500 0.209 0.000 2.091 314 R HA -0.204 4.432 4.340 0.493 0.000 0.238 314 R C 2.480 178.668 176.300 -0.185 0.000 1.136 314 R CA 2.118 58.272 56.100 0.090 0.000 0.959 314 R CB -0.479 29.878 30.300 0.095 0.000 0.856 314 R HN 0.682 nan 8.270 nan 0.000 0.437 315 S N 0.351 115.845 115.700 -0.343 0.000 2.469 315 S HA -0.105 4.661 4.470 0.493 0.000 0.238 315 S C 2.014 176.391 174.600 -0.371 0.000 0.998 315 S CA 0.821 58.627 58.200 -0.656 0.000 0.957 315 S CB -0.398 62.279 63.200 -0.872 0.000 0.764 315 S HN 0.361 nan 8.310 nan 0.000 0.514 316 L N 1.264 122.357 121.223 -0.218 0.000 1.971 316 L HA -0.151 4.485 4.340 0.493 0.000 0.215 316 L C 2.972 179.763 176.870 -0.131 0.000 1.072 316 L CA 1.918 56.663 54.840 -0.158 0.000 0.758 316 L CB -0.784 41.182 42.059 -0.156 0.000 0.889 316 L HN 0.381 nan 8.230 nan 0.000 0.433 317 S N -0.579 115.050 115.700 -0.118 0.000 2.377 317 S HA -0.018 4.747 4.470 0.493 0.000 0.223 317 S C 2.094 176.666 174.600 -0.047 0.000 1.030 317 S CA 0.834 58.993 58.200 -0.069 0.000 0.970 317 S CB -0.268 62.907 63.200 -0.041 0.000 0.830 317 S HN 0.461 nan 8.310 nan 0.000 0.473 318 A N 0.877 123.600 122.820 -0.160 0.000 1.969 318 A HA 0.053 4.668 4.320 0.493 0.000 0.218 318 A C 2.050 179.512 177.584 -0.203 0.000 1.169 318 A CA 1.558 53.438 52.037 -0.261 0.000 0.635 318 A CB -0.319 18.165 19.000 -0.859 0.000 0.810 318 A HN 0.363 nan 8.150 nan 0.000 0.445 319 V N -1.513 118.244 119.914 -0.261 0.000 3.134 319 V HA 0.083 4.498 4.120 0.493 0.000 0.222 319 V C 2.242 178.263 176.094 -0.122 0.000 1.247 319 V CA 0.492 62.674 62.300 -0.196 0.000 1.281 319 V CB -0.876 30.773 31.823 -0.290 0.000 1.169 319 V HN 0.414 nan 8.190 nan 0.000 0.512 320 L N 0.616 121.757 121.223 -0.135 0.000 2.042 320 L HA -0.199 4.437 4.340 0.493 0.000 0.210 320 L C 2.649 179.507 176.870 -0.021 0.000 1.076 320 L CA 2.242 57.038 54.840 -0.073 0.000 0.749 320 L CB -0.869 41.152 42.059 -0.064 0.000 0.893 320 L HN 0.432 nan 8.230 nan 0.000 0.432 321 T N 0.183 114.721 114.554 -0.026 0.000 2.595 321 T HA -0.111 4.535 4.350 0.493 0.000 0.264 321 T C -0.458 174.217 174.700 -0.043 0.000 1.058 321 T CA 1.759 63.854 62.100 -0.009 0.000 1.166 321 T CB -1.287 67.581 68.868 -0.000 0.000 0.863 321 T HN 0.288 nan 8.240 nan 0.000 0.415 322 P HA -0.082 nan 4.420 nan 0.000 0.216 322 P C 1.394 178.606 177.300 -0.148 0.000 1.153 322 P CA 1.607 64.624 63.100 -0.138 0.000 0.858 322 P CB -0.218 31.426 31.700 -0.093 0.000 0.789 323 A N -0.324 122.450 122.820 -0.076 0.000 1.855 323 A HA -0.151 4.464 4.320 0.493 0.000 0.215 323 A C 2.594 180.179 177.584 0.002 0.000 1.191 323 A CA 1.793 53.806 52.037 -0.039 0.000 0.613 323 A CB -1.643 17.344 19.000 -0.022 0.000 0.829 323 A HN 0.227 nan 8.150 nan 0.000 0.442 324 C N -0.533 118.791 119.300 0.040 0.000 2.425 324 C HA -0.055 4.701 4.460 0.493 0.000 0.277 324 C C 2.570 177.559 174.990 -0.002 0.000 1.280 324 C CA 0.864 59.940 59.018 0.097 0.000 1.744 324 C CB -1.413 26.431 27.740 0.173 0.000 1.989 324 C HN 0.609 nan 8.230 nan 0.000 0.491 325 I N 1.569 122.066 120.570 -0.122 0.000 2.179 325 I HA -0.227 4.238 4.170 0.493 0.000 0.242 325 I C 2.794 178.750 176.117 -0.268 0.000 1.088 325 I CA 1.635 62.704 61.300 -0.384 0.000 1.357 325 I CB -0.624 37.025 38.000 -0.585 0.000 1.051 325 I HN 0.275 nan 8.210 nan 0.000 0.409 326 A N 0.865 123.614 122.820 -0.118 0.000 1.892 326 A HA -0.191 4.424 4.320 0.493 0.000 0.218 326 A C 2.220 179.947 177.584 0.239 0.000 1.188 326 A CA 1.698 53.781 52.037 0.077 0.000 0.631 326 A CB -0.924 18.125 19.000 0.081 0.000 0.822 326 A HN 0.434 nan 8.150 nan 0.000 0.447 327 L N -0.155 121.142 121.223 0.123 0.000 2.554 327 L HA -0.012 4.624 4.340 0.493 0.000 0.226 327 L C 0.563 177.505 176.870 0.120 0.000 1.137 327 L CA -0.275 54.642 54.840 0.129 0.000 0.863 327 L CB -0.259 41.841 42.059 0.068 0.000 0.985 327 L HN 0.359 nan 8.230 nan 0.000 0.451 328 Q N 0.451 120.301 119.800 0.083 0.000 2.326 328 Q HA -0.010 4.625 4.340 0.493 0.000 0.314 328 Q C 1.376 177.407 176.000 0.052 0.000 1.091 328 Q CA 1.310 57.149 55.803 0.059 0.000 0.974 328 Q CB 0.303 29.104 28.738 0.105 0.000 1.220 328 Q HN 0.442 nan 8.270 nan 0.000 0.398 329 G N 2.514 111.322 108.800 0.012 0.000 2.245 329 G HA2 -0.285 3.970 3.960 0.493 0.000 0.264 329 G HA3 -0.285 3.970 3.960 0.493 0.000 0.264 329 G C 0.448 175.367 174.900 0.032 0.000 0.985 329 G CA 0.475 45.579 45.100 0.006 0.000 0.625 329 G HN 0.609 nan 8.290 nan 0.000 0.536 330 E N 0.017 120.253 120.200 0.060 0.000 2.499 330 E HA 0.408 5.054 4.350 0.493 0.000 0.199 330 E C 0.225 176.837 176.600 0.020 0.000 1.016 330 E CA 0.786 57.234 56.400 0.080 0.000 0.933 330 E CB 0.807 30.608 29.700 0.169 0.000 1.050 330 E HN 0.515 nan 8.360 nan 0.000 0.462 331 S N 0.157 115.839 115.700 -0.030 0.000 2.658 331 S HA 0.077 4.843 4.470 0.493 0.000 0.312 331 S C -0.786 173.721 174.600 -0.156 0.000 1.006 331 S CA -0.567 57.575 58.200 -0.097 0.000 0.855 331 S CB 0.830 63.955 63.200 -0.124 0.000 1.053 331 S HN -0.147 nan 8.310 nan 0.000 0.455 332 D N 2.728 123.024 120.400 -0.173 0.000 2.277 332 D HA 0.082 5.017 4.640 0.493 0.000 0.208 332 D C 1.549 177.658 176.300 -0.318 0.000 0.962 332 D CA 0.914 54.798 54.000 -0.193 0.000 0.865 332 D CB 0.240 40.959 40.800 -0.135 0.000 0.939 332 D HN 0.727 nan 8.370 nan 0.000 0.510 333 E N 0.841 120.748 120.200 -0.488 0.000 2.028 333 E HA -0.111 4.535 4.350 0.493 0.000 0.191 333 E C 2.134 177.935 176.600 -1.332 0.000 0.988 333 E CA 1.124 56.934 56.400 -0.984 0.000 0.799 333 E CB -0.076 28.881 29.700 -1.238 0.000 0.755 333 E HN 0.177 nan 8.360 nan 0.000 0.447 334 A N 1.278 123.559 122.820 -0.899 0.000 1.917 334 A HA -0.175 4.440 4.320 0.493 0.000 0.219 334 A C 2.433 179.958 177.584 -0.099 0.000 1.182 334 A CA 1.926 53.791 52.037 -0.288 0.000 0.633 334 A CB -1.425 17.553 19.000 -0.037 0.000 0.819 334 A HN 0.377 nan 8.150 nan 0.000 0.448 335 G N -0.566 108.139 108.800 -0.158 0.000 2.491 335 G HA2 -0.264 3.991 3.960 0.493 0.000 0.218 335 G HA3 -0.264 3.991 3.960 0.493 0.000 0.218 335 G C 1.455 176.357 174.900 0.004 0.000 1.180 335 G CA 1.077 46.119 45.100 -0.096 0.000 0.774 335 G HN 0.494 nan 8.290 nan 0.000 0.562 336 E N 0.063 120.221 120.200 -0.070 0.000 2.058 336 E HA -0.117 4.529 4.350 0.493 0.000 0.194 336 E C 2.379 179.147 176.600 0.280 0.000 0.997 336 E CA 0.980 57.427 56.400 0.079 0.000 0.801 336 E CB -0.310 29.378 29.700 -0.020 0.000 0.746 336 E HN 0.620 nan 8.360 nan 0.000 0.450 337 W N 0.751 122.149 121.300 0.163 0.000 2.338 337 W HA -0.144 4.832 4.660 0.527 0.000 0.304 337 W C 2.308 178.932 176.519 0.176 0.000 1.212 337 W CA 0.326 57.759 57.345 0.147 0.000 1.264 337 W CB -1.418 28.088 29.460 0.076 0.000 1.142 337 W HN 0.145 nan 8.180 nan 0.000 0.512 338 L N 1.191 122.634 121.223 0.366 0.000 2.017 338 L HA -0.199 4.437 4.340 0.493 0.000 0.208 338 L C 1.902 178.932 176.870 0.266 0.000 1.073 338 L CA 2.204 57.206 54.840 0.269 0.000 0.745 338 L CB -1.195 40.995 42.059 0.219 0.000 0.894 338 L HN -0.213 nan 8.230 nan 0.000 0.432 339 D N -1.439 119.140 120.400 0.298 0.000 2.092 339 D HA -0.284 4.651 4.640 0.493 0.000 0.193 339 D C 2.037 178.503 176.300 0.278 0.000 0.994 339 D CA 1.855 56.024 54.000 0.282 0.000 0.828 339 D CB -0.477 40.520 40.800 0.330 0.000 0.963 339 D HN 0.481 nan 8.370 nan 0.000 0.450 340 Y N 1.823 122.257 120.300 0.223 0.000 2.069 340 Y HA -0.316 4.518 4.550 0.472 0.000 0.278 340 Y C 2.466 178.437 175.900 0.117 0.000 1.175 340 Y CA 2.512 60.661 58.100 0.082 0.000 1.134 340 Y CB -0.656 37.794 38.460 -0.016 0.000 0.965 340 Y HN -0.066 nan 8.280 nan 0.000 0.498 341 T N -0.396 114.302 114.554 0.239 0.000 2.684 341 T HA -0.213 4.432 4.350 0.493 0.000 0.267 341 T C 2.018 176.757 174.700 0.064 0.000 1.036 341 T CA 1.880 64.047 62.100 0.112 0.000 1.148 341 T CB -0.862 68.084 68.868 0.130 0.000 0.863 341 T HN 0.235 nan 8.240 nan 0.000 0.436 342 V N 1.314 121.276 119.914 0.081 0.000 2.307 342 V HA -0.136 4.279 4.120 0.493 0.000 0.245 342 V C 2.480 178.575 176.094 0.002 0.000 1.045 342 V CA 1.670 63.991 62.300 0.035 0.000 1.024 342 V CB -0.601 31.227 31.823 0.008 0.000 0.651 342 V HN 0.509 nan 8.190 nan 0.000 0.449 343 E N -0.638 119.574 120.200 0.020 0.000 2.110 343 E HA -0.229 4.417 4.350 0.493 0.000 0.193 343 E C 1.964 178.660 176.600 0.159 0.000 0.988 343 E CA 1.479 57.903 56.400 0.041 0.000 0.804 343 E CB -0.222 29.497 29.700 0.032 0.000 0.745 343 E HN 0.631 nan 8.360 nan 0.000 0.458 344 F N 0.959 120.859 119.950 -0.084 0.000 2.113 344 F HA -0.156 4.697 4.527 0.544 0.000 0.297 344 F C 1.871 177.564 175.800 -0.178 0.000 1.103 344 F CA 1.190 58.982 58.000 -0.347 0.000 1.248 344 F CB 0.038 38.655 39.000 -0.639 0.000 0.999 344 F HN -0.076 nan 8.300 nan 0.000 0.475 345 L N -0.207 121.121 121.223 0.175 0.000 2.083 345 L HA -0.210 4.426 4.340 0.493 0.000 0.209 345 L C 2.701 179.659 176.870 0.146 0.000 1.083 345 L CA 1.149 56.074 54.840 0.142 0.000 0.752 345 L CB -1.068 40.998 42.059 0.012 0.000 0.899 345 L HN 0.233 nan 8.230 nan 0.000 0.433 346 A N -1.041 121.834 122.820 0.091 0.000 1.968 346 A HA -0.104 4.511 4.320 0.493 0.000 0.217 346 A C 2.243 179.814 177.584 -0.022 0.000 1.169 346 A CA 2.047 54.143 52.037 0.099 0.000 0.638 346 A CB -0.407 18.604 19.000 0.017 0.000 0.812 346 A HN 0.394 nan 8.150 nan 0.000 0.446 347 T N -1.198 113.276 114.554 -0.133 0.000 3.087 347 T HA 0.250 4.896 4.350 0.493 0.000 0.237 347 T C 1.590 176.042 174.700 -0.414 0.000 0.990 347 T CA 0.767 62.729 62.100 -0.230 0.000 1.160 347 T CB -0.124 68.680 68.868 -0.108 0.000 0.923 347 T HN 0.220 nan 8.240 nan 0.000 0.442 348 L N -0.620 120.152 121.223 -0.753 0.000 2.515 348 L HA 0.365 5.000 4.340 0.493 0.000 0.223 348 L C 0.359 176.782 176.870 -0.746 0.000 1.079 348 L CA -0.150 54.102 54.840 -0.980 0.000 0.857 348 L CB 0.090 41.141 42.059 -1.681 0.000 1.050 348 L HN 0.245 nan 8.230 nan 0.000 0.476 349 Y N 1.304 121.238 120.300 -0.609 0.000 2.620 349 Y HA 0.086 4.921 4.550 0.476 0.000 0.330 349 Y C 0.526 176.277 175.900 -0.248 0.000 1.186 349 Y CA 0.133 58.126 58.100 -0.179 0.000 1.467 349 Y CB 0.740 39.272 38.460 0.120 0.000 1.262 349 Y HN -0.120 nan 8.280 nan 0.000 0.550 350 S N 7.084 122.356 115.700 -0.714 0.000 2.536 350 S HA 0.464 5.229 4.470 0.493 0.000 0.298 350 S C -1.857 172.260 174.600 -0.805 0.000 1.083 350 S CA -1.772 55.828 58.200 -1.000 0.000 0.995 350 S CB 1.572 63.974 63.200 -1.329 0.000 1.058 350 S HN 0.604 nan 8.310 nan 0.000 0.488 351 P HA 0.045 nan 4.420 nan 0.000 0.223 351 P C 0.368 177.164 177.300 -0.841 0.000 1.151 351 P CA 0.796 63.310 63.100 -0.978 0.000 0.787 351 P CB -0.105 30.743 31.700 -1.419 0.000 0.788 352 W N 0.623 121.489 121.300 -0.723 0.000 3.256 352 W HA 0.445 5.372 4.660 0.446 0.000 0.269 352 W C 0.731 176.612 176.519 -1.063 0.000 1.310 352 W CA -0.279 56.481 57.345 -0.974 0.000 1.673 352 W CB 0.157 28.665 29.460 -1.586 0.000 1.115 352 W HN -0.051 nan 8.180 nan 0.000 0.686 353 A N -0.137 122.289 122.820 -0.657 0.000 2.572 353 A HA 0.807 5.423 4.320 0.493 0.000 0.295 353 A C -0.279 177.044 177.584 -0.435 0.000 1.072 353 A CA -0.351 51.339 52.037 -0.578 0.000 0.691 353 A CB 0.567 19.076 19.000 -0.818 0.000 1.291 353 A HN 0.024 nan 8.150 nan 0.000 0.404 354 G N -1.079 107.570 108.800 -0.253 0.000 2.667 354 G HA2 0.501 4.757 3.960 0.493 0.000 0.310 354 G HA3 0.501 4.757 3.960 0.493 0.000 0.310 354 G C 0.830 175.704 174.900 -0.043 0.000 1.259 354 G CA 0.424 45.430 45.100 -0.157 0.000 1.019 354 G HN 1.431 nan 8.290 nan 0.000 0.496 355 T N -1.820 112.738 114.554 0.007 0.000 3.155 355 T HA -0.091 4.554 4.350 0.493 0.000 0.264 355 T C 1.497 176.286 174.700 0.147 0.000 1.160 355 T CA 1.524 63.690 62.100 0.110 0.000 1.075 355 T CB -0.210 68.681 68.868 0.039 0.000 0.921 355 T HN 0.572 nan 8.240 nan 0.000 0.533 356 D N 1.450 121.934 120.400 0.140 0.000 2.310 356 D HA 0.028 4.963 4.640 0.493 0.000 0.212 356 D C 1.828 178.278 176.300 0.249 0.000 0.965 356 D CA 1.056 55.153 54.000 0.162 0.000 0.879 356 D CB -0.866 40.037 40.800 0.171 0.000 0.921 356 D HN 0.643 nan 8.370 nan 0.000 0.510 357 G N -0.300 108.671 108.800 0.285 0.000 2.213 357 G HA2 -0.175 4.081 3.960 0.493 0.000 0.236 357 G HA3 -0.175 4.081 3.960 0.493 0.000 0.236 357 G C 0.667 175.580 174.900 0.022 0.000 0.991 357 G CA 0.247 45.431 45.100 0.139 0.000 0.629 357 G HN 0.790 nan 8.290 nan 0.000 0.517 358 G N -0.871 107.846 108.800 -0.138 0.000 2.594 358 G HA2 0.384 4.639 3.960 0.493 0.000 0.243 358 G HA3 0.384 4.639 3.960 0.493 0.000 0.243 358 G C -0.285 174.109 174.900 -0.843 0.000 1.229 358 G CA 0.164 44.639 45.100 -1.042 0.000 0.843 358 G HN 0.653 nan 8.290 nan 0.000 0.578 359 W N 2.182 122.372 121.300 -1.850 0.000 2.543 359 W HA 0.430 5.377 4.660 0.478 0.000 0.318 359 W C 0.523 176.534 176.519 -0.847 0.000 1.002 359 W CA -0.821 55.974 57.345 -0.916 0.000 1.302 359 W CB 1.692 30.911 29.460 -0.401 0.000 1.299 359 W HN 0.719 nan 8.180 nan 0.000 0.424 360 A N 2.998 125.261 122.820 -0.927 0.000 2.024 360 A HA -0.208 4.408 4.320 0.493 0.000 0.220 360 A C 1.634 178.895 177.584 -0.539 0.000 1.164 360 A CA 1.520 53.049 52.037 -0.846 0.000 0.643 360 A CB -0.047 18.078 19.000 -1.458 0.000 0.806 360 A HN 0.648 nan 8.150 nan 0.000 0.451 361 E N -0.642 119.203 120.200 -0.591 0.000 2.478 361 E HA 0.217 4.863 4.350 0.493 0.000 0.198 361 E C 1.090 177.621 176.600 -0.116 0.000 1.046 361 E CA 0.725 56.865 56.400 -0.433 0.000 0.870 361 E CB -0.468 28.944 29.700 -0.481 0.000 0.818 361 E HN 0.782 nan 8.360 nan 0.000 0.527 362 G N 1.386 110.210 108.800 0.040 0.000 2.663 362 G HA2 -0.174 4.081 3.960 0.493 0.000 0.686 362 G HA3 -0.174 4.081 3.960 0.493 0.000 0.686 362 G C -2.174 172.986 174.900 0.433 0.000 1.288 362 G CA -0.307 44.923 45.100 0.216 0.000 0.836 362 G HN -0.122 nan 8.290 nan 0.000 0.584 363 P HA -0.138 nan 4.420 nan 0.000 0.217 363 P C 1.290 178.789 177.300 0.330 0.000 1.150 363 P CA 2.026 65.263 63.100 0.228 0.000 0.832 363 P CB 0.005 31.611 31.700 -0.156 0.000 0.787 364 H N -0.897 118.307 119.070 0.223 0.000 2.353 364 H HA -0.167 4.684 4.556 0.493 0.000 0.300 364 H C 1.798 177.283 175.328 0.261 0.000 1.090 364 H CA 1.733 57.894 56.048 0.189 0.000 1.327 364 H CB -0.855 28.985 29.762 0.131 0.000 1.383 364 H HN -0.032 nan 8.280 nan 0.000 0.508 365 Y N -1.215 119.119 120.300 0.057 0.000 2.242 365 Y HA -0.147 4.693 4.550 0.484 0.000 0.291 365 Y C 2.277 178.163 175.900 -0.024 0.000 1.137 365 Y CA 1.107 59.230 58.100 0.038 0.000 1.181 365 Y CB -1.049 37.529 38.460 0.197 0.000 0.989 365 Y HN 0.396 nan 8.280 nan 0.000 0.527 366 W N 0.371 121.608 121.300 -0.106 0.000 2.321 366 W HA -0.353 4.606 4.660 0.498 0.000 0.306 366 W C 2.598 178.882 176.519 -0.391 0.000 1.217 366 W CA 2.364 59.325 57.345 -0.640 0.000 1.257 366 W CB -0.358 28.924 29.460 -0.298 0.000 1.145 366 W HN 0.096 nan 8.180 nan 0.000 0.509 367 M N 0.451 120.081 119.600 0.049 0.000 2.073 367 M HA -0.271 4.505 4.480 0.493 0.000 0.258 367 M C 2.336 178.418 176.300 -0.362 0.000 1.070 367 M CA 3.132 58.349 55.300 -0.138 0.000 1.103 367 M CB -0.843 31.713 32.600 -0.072 0.000 1.321 367 M HN 0.208 nan 8.290 nan 0.000 0.405 368 T N -2.409 111.984 114.554 -0.269 0.000 2.732 368 T HA -0.014 4.632 4.350 0.493 0.000 0.261 368 T C 1.920 176.605 174.700 -0.025 0.000 1.040 368 T CA 1.314 63.365 62.100 -0.083 0.000 1.145 368 T CB -1.656 67.108 68.868 -0.173 0.000 0.866 368 T HN 0.533 nan 8.240 nan 0.000 0.427 369 G N 1.774 110.505 108.800 -0.116 0.000 2.505 369 G HA2 -0.197 4.059 3.960 0.493 0.000 0.220 369 G HA3 -0.197 4.059 3.960 0.493 0.000 0.220 369 G C 1.658 176.452 174.900 -0.177 0.000 1.145 369 G CA 1.370 46.444 45.100 -0.044 0.000 0.761 369 G HN 0.357 nan 8.290 nan 0.000 0.571 370 M N 0.924 120.182 119.600 -0.570 0.000 2.123 370 M HA 0.157 4.932 4.480 0.493 0.000 0.263 370 M C 3.126 179.197 176.300 -0.382 0.000 1.069 370 M CA 1.092 56.060 55.300 -0.553 0.000 1.133 370 M CB -1.532 30.399 32.600 -1.115 0.000 1.356 370 M HN 0.311 nan 8.290 nan 0.000 0.415 371 A N -0.053 122.484 122.820 -0.471 0.000 1.909 371 A HA -0.260 4.356 4.320 0.493 0.000 0.221 371 A C 2.039 179.426 177.584 -0.329 0.000 1.223 371 A CA 2.196 53.938 52.037 -0.493 0.000 0.658 371 A CB -1.306 17.284 19.000 -0.684 0.000 0.831 371 A HN 0.489 nan 8.150 nan 0.000 0.462 372 Y N -1.116 119.160 120.300 -0.040 0.000 2.220 372 Y HA -0.003 4.857 4.550 0.517 0.000 0.291 372 Y C 2.269 178.136 175.900 -0.056 0.000 1.129 372 Y CA 1.083 59.187 58.100 0.006 0.000 1.161 372 Y CB -0.702 37.782 38.460 0.041 0.000 0.997 372 Y HN 0.357 nan 8.280 nan 0.000 0.522 373 L N 0.085 121.336 121.223 0.046 0.000 2.012 373 L HA -0.216 4.420 4.340 0.493 0.000 0.210 373 L C 2.072 178.846 176.870 -0.159 0.000 1.073 373 L CA 1.697 56.486 54.840 -0.086 0.000 0.748 373 L CB -0.739 41.282 42.059 -0.064 0.000 0.891 373 L HN 0.194 nan 8.230 nan 0.000 0.431 374 I N -0.057 120.418 120.570 -0.159 0.000 2.113 374 I HA -0.390 4.075 4.170 0.493 0.000 0.242 374 I C 2.526 178.620 176.117 -0.039 0.000 1.064 374 I CA 2.025 63.247 61.300 -0.130 0.000 1.320 374 I CB -0.476 37.392 38.000 -0.221 0.000 1.028 374 I HN 0.397 nan 8.210 nan 0.000 0.406 375 E N 0.460 120.657 120.200 -0.005 0.000 2.033 375 E HA -0.309 4.336 4.350 0.493 0.000 0.199 375 E C 2.295 178.951 176.600 0.092 0.000 1.011 375 E CA 1.647 58.102 56.400 0.093 0.000 0.815 375 E CB -0.291 29.510 29.700 0.168 0.000 0.755 375 E HN 0.580 nan 8.360 nan 0.000 0.451 376 A N 1.229 124.073 122.820 0.040 0.000 1.902 376 A HA -0.107 4.508 4.320 0.493 0.000 0.217 376 A C 2.393 179.953 177.584 -0.040 0.000 1.181 376 A CA 1.726 53.768 52.037 0.008 0.000 0.623 376 A CB -0.740 18.240 19.000 -0.034 0.000 0.818 376 A HN 0.317 nan 8.150 nan 0.000 0.443 377 A N 0.527 123.249 122.820 -0.163 0.000 1.892 377 A HA -0.267 4.349 4.320 0.493 0.000 0.218 377 A C 1.965 179.498 177.584 -0.086 0.000 1.188 377 A CA 2.084 53.931 52.037 -0.316 0.000 0.631 377 A CB -0.716 17.787 19.000 -0.828 0.000 0.822 377 A HN 0.575 nan 8.150 nan 0.000 0.447 378 N N 0.255 118.999 118.700 0.074 0.000 2.039 378 N HA -0.101 4.934 4.740 0.493 0.000 0.193 378 N C 1.754 177.389 175.510 0.208 0.000 1.044 378 N CA 1.614 54.796 53.050 0.220 0.000 0.847 378 N CB -0.742 37.898 38.487 0.254 0.000 1.030 378 N HN 0.501 nan 8.380 nan 0.000 0.422 379 L N 0.838 122.180 121.223 0.197 0.000 2.021 379 L HA -0.202 4.433 4.340 0.493 0.000 0.215 379 L C 2.273 179.256 176.870 0.189 0.000 1.074 379 L CA 1.162 56.121 54.840 0.198 0.000 0.760 379 L CB -0.619 41.525 42.059 0.140 0.000 0.889 379 L HN 0.116 nan 8.230 nan 0.000 0.433 380 I N -0.699 119.962 120.570 0.152 0.000 2.163 380 I HA -0.323 4.143 4.170 0.493 0.000 0.243 380 I C 2.924 179.154 176.117 0.189 0.000 1.085 380 I CA 1.328 62.739 61.300 0.186 0.000 1.347 380 I CB -0.384 37.709 38.000 0.155 0.000 1.044 380 I HN 0.227 nan 8.210 nan 0.000 0.408 381 R N 0.156 120.739 120.500 0.139 0.000 2.091 381 R HA -0.211 4.425 4.340 0.493 0.000 0.238 381 R C 2.442 178.816 176.300 0.124 0.000 1.136 381 R CA 2.036 58.206 56.100 0.117 0.000 0.959 381 R CB -0.277 30.097 30.300 0.123 0.000 0.856 381 R HN 0.254 nan 8.270 nan 0.000 0.437 382 S N -0.818 114.979 115.700 0.163 0.000 2.436 382 S HA -0.114 4.652 4.470 0.493 0.000 0.228 382 S C 1.519 176.225 174.600 0.177 0.000 1.014 382 S CA 0.523 58.816 58.200 0.154 0.000 0.950 382 S CB -0.199 63.121 63.200 0.201 0.000 0.784 382 S HN 0.514 nan 8.310 nan 0.000 0.504 383 Y N 1.926 122.261 120.300 0.058 0.000 2.347 383 Y HA 0.254 5.101 4.550 0.494 0.000 0.294 383 Y C 1.371 177.291 175.900 0.033 0.000 1.117 383 Y CA 1.144 59.265 58.100 0.034 0.000 1.184 383 Y CB 0.150 38.633 38.460 0.039 0.000 1.047 383 Y HN 0.423 nan 8.280 nan 0.000 0.546 384 I N -4.668 115.905 120.570 0.004 0.000 4.442 384 I HA 0.559 5.025 4.170 0.493 0.000 0.331 384 I C 1.402 177.532 176.117 0.021 0.000 1.364 384 I CA 0.517 61.769 61.300 -0.079 0.000 1.207 384 I CB 0.890 38.854 38.000 -0.059 0.000 1.298 384 I HN 0.024 nan 8.210 nan 0.000 0.463 385 G N 1.219 110.057 108.800 0.062 0.000 2.225 385 G HA2 -0.378 3.877 3.960 0.493 0.000 0.254 385 G HA3 -0.378 3.877 3.960 0.493 0.000 0.254 385 G C 0.143 175.105 174.900 0.103 0.000 0.988 385 G CA 0.415 45.552 45.100 0.062 0.000 0.625 385 G HN 0.564 nan 8.290 nan 0.000 0.527 386 Y N 2.177 122.487 120.300 0.016 0.000 2.442 386 Y HA 0.502 5.347 4.550 0.490 0.000 0.330 386 Y C -0.058 175.856 175.900 0.024 0.000 1.129 386 Y CA -0.419 57.691 58.100 0.017 0.000 1.365 386 Y CB 1.030 39.494 38.460 0.008 0.000 1.233 386 Y HN 0.118 nan 8.280 nan 0.000 0.529 387 D N 5.912 125.929 120.400 -0.637 0.000 2.460 387 D HA 0.187 5.122 4.640 0.493 0.000 0.232 387 D C 0.105 176.019 176.300 -0.644 0.000 1.079 387 D CA -0.222 53.510 54.000 -0.447 0.000 0.864 387 D CB 0.713 41.433 40.800 -0.132 0.000 1.048 387 D HN 0.746 nan 8.370 nan 0.000 0.523 388 L N 3.176 124.049 121.223 -0.584 0.000 2.291 388 L HA -0.090 4.546 4.340 0.493 0.000 0.214 388 L C 1.336 178.118 176.870 -0.146 0.000 1.120 388 L CA 0.659 55.282 54.840 -0.362 0.000 0.799 388 L CB -0.335 41.504 42.059 -0.366 0.000 0.925 388 L HN 0.525 nan 8.230 nan 0.000 0.446 389 Y N -0.048 120.201 120.300 -0.086 0.000 2.403 389 Y HA -0.246 4.601 4.550 0.496 0.000 0.291 389 Y C 2.448 178.464 175.900 0.193 0.000 1.143 389 Y CA 0.898 59.035 58.100 0.062 0.000 1.257 389 Y CB -0.597 37.883 38.460 0.033 0.000 0.984 389 Y HN 0.273 nan 8.280 nan 0.000 0.550 390 Q N -0.019 119.920 119.800 0.232 0.000 2.488 390 Q HA -0.031 4.604 4.340 0.493 0.000 0.211 390 Q C 0.281 176.395 176.000 0.191 0.000 0.967 390 Q CA 0.249 56.158 55.803 0.176 0.000 0.926 390 Q CB 0.063 28.850 28.738 0.081 0.000 0.992 390 Q HN 0.331 nan 8.270 nan 0.000 0.506 391 R N 0.881 121.550 120.500 0.281 0.000 2.442 391 R HA 0.036 4.672 4.340 0.493 0.000 0.291 391 R C -1.855 174.553 176.300 0.179 0.000 1.069 391 R CA -1.519 54.720 56.100 0.232 0.000 1.022 391 R CB 0.176 30.652 30.300 0.293 0.000 0.976 391 R HN -0.048 nan 8.270 nan 0.000 0.443 392 P HA -0.256 nan 4.420 nan 0.000 0.217 392 P C 0.991 178.316 177.300 0.043 0.000 1.158 392 P CA 1.318 64.461 63.100 0.071 0.000 0.887 392 P CB -0.053 31.676 31.700 0.048 0.000 0.792 393 F N -0.373 119.475 119.950 -0.171 0.000 2.120 393 F HA -0.226 4.598 4.527 0.495 0.000 0.300 393 F C 1.827 177.491 175.800 -0.227 0.000 1.095 393 F CA 1.600 59.434 58.000 -0.276 0.000 1.249 393 F CB -0.989 37.725 39.000 -0.477 0.000 0.995 393 F HN -0.204 nan 8.300 nan 0.000 0.480 394 F N 0.352 120.224 119.950 -0.130 0.000 2.293 394 F HA -0.096 4.722 4.527 0.487 0.000 0.297 394 F C 2.461 178.213 175.800 -0.079 0.000 1.089 394 F CA 0.778 58.677 58.000 -0.168 0.000 1.377 394 F CB -1.303 37.858 39.000 0.269 0.000 1.051 394 F HN -0.021 nan 8.300 nan 0.000 0.511 395 Q N 0.636 120.545 119.800 0.181 0.000 2.112 395 Q HA -0.212 4.424 4.340 0.493 0.000 0.206 395 Q C 1.486 177.536 176.000 0.084 0.000 0.987 395 Q CA 1.912 57.809 55.803 0.157 0.000 0.858 395 Q CB -0.858 27.959 28.738 0.133 0.000 0.905 395 Q HN 0.550 nan 8.270 nan 0.000 0.420 396 N N -1.064 117.613 118.700 -0.038 0.000 2.356 396 N HA -0.033 5.003 4.740 0.493 0.000 0.178 396 N C 1.400 176.827 175.510 -0.138 0.000 1.075 396 N CA 0.590 53.629 53.050 -0.018 0.000 0.889 396 N CB 0.172 38.669 38.487 0.016 0.000 0.999 396 N HN 0.047 nan 8.380 nan 0.000 0.464 397 T N -0.472 113.807 114.554 -0.459 0.000 3.007 397 T HA -0.009 4.637 4.350 0.493 0.000 0.270 397 T C 1.948 176.350 174.700 -0.497 0.000 1.107 397 T CA 1.163 62.933 62.100 -0.550 0.000 1.118 397 T CB -0.490 67.777 68.868 -1.002 0.000 0.889 397 T HN 0.356 nan 8.240 nan 0.000 0.506 398 G N 1.687 110.093 108.800 -0.657 0.000 2.450 398 G HA2 -0.241 4.015 3.960 0.493 0.000 0.220 398 G HA3 -0.241 4.015 3.960 0.493 0.000 0.220 398 G C 1.604 176.090 174.900 -0.690 0.000 1.130 398 G CA 0.922 45.503 45.100 -0.865 0.000 0.760 398 G HN 0.674 nan 8.290 nan 0.000 0.557 399 R N -1.052 119.325 120.500 -0.204 0.000 2.280 399 R HA 0.138 4.774 4.340 0.493 0.000 0.207 399 R C 2.006 178.371 176.300 0.108 0.000 1.043 399 R CA 0.529 56.700 56.100 0.118 0.000 1.006 399 R CB -0.518 30.000 30.300 0.363 0.000 0.885 399 R HN 0.269 nan 8.270 nan 0.000 0.467 400 F N 3.564 123.284 119.950 -0.383 0.000 2.051 400 F HA 0.026 4.849 4.527 0.494 0.000 0.296 400 F C -0.866 174.556 175.800 -0.631 0.000 1.122 400 F CA 0.729 58.346 58.000 -0.638 0.000 1.201 400 F CB -0.707 37.728 39.000 -0.943 0.000 0.978 400 F HN 0.000 nan 8.300 nan 0.000 0.472 401 P HA -0.138 nan 4.420 nan 0.000 0.226 401 P C 2.029 178.964 177.300 -0.608 0.000 1.153 401 P CA 1.071 63.664 63.100 -0.845 0.000 0.777 401 P CB -0.145 30.990 31.700 -0.941 0.000 0.794 402 L N -1.351 119.512 121.223 -0.601 0.000 2.056 402 L HA -0.086 4.549 4.340 0.493 0.000 0.207 402 L C 2.227 178.971 176.870 -0.210 0.000 1.078 402 L CA 1.896 56.483 54.840 -0.422 0.000 0.749 402 L CB -1.071 40.828 42.059 -0.268 0.000 0.901 402 L HN -0.139 nan 8.230 nan 0.000 0.433 403 Y N -1.937 118.281 120.300 -0.137 0.000 2.462 403 Y HA 0.032 4.878 4.550 0.492 0.000 0.261 403 Y C 2.083 177.933 175.900 -0.083 0.000 1.146 403 Y CA 0.891 58.978 58.100 -0.020 0.000 1.283 403 Y CB 0.006 38.551 38.460 0.142 0.000 1.090 403 Y HN 0.321 nan 8.280 nan 0.000 0.526 404 T N -4.785 109.688 114.554 -0.134 0.000 2.964 404 T HA 0.195 4.840 4.350 0.493 0.000 0.250 404 T C 0.803 175.396 174.700 -0.179 0.000 0.982 404 T CA -0.121 61.855 62.100 -0.207 0.000 0.959 404 T CB 0.270 68.833 68.868 -0.508 0.000 1.141 404 T HN -0.189 nan 8.240 nan 0.000 0.494 405 K N 2.090 122.400 120.400 -0.152 0.000 3.237 405 K HA 0.651 5.266 4.320 0.493 0.000 0.197 405 K C -0.219 176.447 176.600 0.109 0.000 1.133 405 K CA -0.268 55.996 56.287 -0.038 0.000 0.944 405 K CB 1.140 33.637 32.500 -0.006 0.000 0.952 405 K HN 0.481 nan 8.250 nan 0.000 0.515 406 A N 1.993 124.860 122.820 0.078 0.000 2.425 406 A HA 0.356 4.971 4.320 0.493 0.000 0.242 406 A C -2.276 175.331 177.584 0.038 0.000 1.077 406 A CA -0.929 51.210 52.037 0.171 0.000 0.781 406 A CB -0.202 18.887 19.000 0.149 0.000 1.020 406 A HN 0.073 nan 8.150 nan 0.000 0.494 407 P HA 0.161 nan 4.420 nan 0.000 0.264 407 P C 1.127 178.392 177.300 -0.057 0.000 1.179 407 P CA 2.066 65.084 63.100 -0.136 0.000 0.763 407 P CB 0.466 32.052 31.700 -0.189 0.000 0.806 408 G N 1.546 110.322 108.800 -0.040 0.000 2.284 408 G HA2 -0.242 4.014 3.960 0.493 0.000 0.247 408 G HA3 -0.242 4.014 3.960 0.493 0.000 0.247 408 G C 0.307 175.187 174.900 -0.033 0.000 1.012 408 G CA 0.374 45.493 45.100 0.033 0.000 0.618 408 G HN 0.834 nan 8.290 nan 0.000 0.521 409 T N -1.402 113.018 114.554 -0.223 0.000 2.851 409 T HA 0.695 5.341 4.350 0.493 0.000 0.298 409 T C 1.078 175.715 174.700 -0.105 0.000 0.977 409 T CA 0.241 62.133 62.100 -0.347 0.000 1.126 409 T CB 1.827 70.415 68.868 -0.467 0.000 0.916 409 T HN 0.431 nan 8.240 nan 0.000 0.529 410 R N 1.601 122.089 120.500 -0.020 0.000 2.257 410 R HA 0.278 4.913 4.340 0.493 0.000 0.195 410 R C 1.435 177.709 176.300 -0.043 0.000 0.921 410 R CA -0.005 56.096 56.100 0.002 0.000 1.069 410 R CB 0.475 30.812 30.300 0.061 0.000 1.115 410 R HN 0.499 nan 8.270 nan 0.000 0.571 411 R N -0.193 120.267 120.500 -0.066 0.000 2.599 411 R HA 0.299 4.934 4.340 0.493 0.000 0.451 411 R C -0.702 175.470 176.300 -0.214 0.000 0.988 411 R CA -0.075 55.942 56.100 -0.139 0.000 1.085 411 R CB 1.951 32.164 30.300 -0.146 0.000 1.452 411 R HN -0.013 nan 8.270 nan 0.000 0.596 412 A N 1.091 123.784 122.820 -0.212 0.000 3.106 412 A HA 0.290 4.906 4.320 0.493 0.000 0.306 412 A C -0.298 177.073 177.584 -0.356 0.000 1.192 412 A CA -0.400 51.471 52.037 -0.278 0.000 0.994 412 A CB -0.451 18.448 19.000 -0.169 0.000 1.107 412 A HN 0.518 nan 8.150 nan 0.000 0.585 413 N N -1.806 116.616 118.700 -0.463 0.000 3.633 413 N HA 0.736 5.772 4.740 0.493 0.000 0.344 413 N C -0.909 174.136 175.510 -0.774 0.000 1.627 413 N CA -0.619 52.144 53.050 -0.478 0.000 0.754 413 N CB 0.654 39.082 38.487 -0.099 0.000 2.450 413 N HN -0.044 nan 8.380 nan 0.000 0.592 414 F N -1.508 118.446 119.950 0.007 0.000 2.629 414 F HA 0.811 5.633 4.527 0.491 0.000 0.316 414 F C 0.711 176.533 175.800 0.038 0.000 1.081 414 F CA 0.252 58.217 58.000 -0.059 0.000 0.954 414 F CB 2.063 40.870 39.000 -0.321 0.000 1.337 414 F HN 0.946 nan 8.300 nan 0.000 0.474 415 G N 1.187 109.993 108.800 0.009 0.000 2.746 415 G HA2 -0.102 4.154 3.960 0.493 0.000 0.685 415 G HA3 -0.102 4.154 3.960 0.493 0.000 0.685 415 G C -1.479 173.380 174.900 -0.068 0.000 1.350 415 G CA -1.246 43.635 45.100 -0.365 0.000 0.837 415 G HN 0.650 nan 8.290 nan 0.000 0.564 416 D N 0.577 120.976 120.400 -0.003 0.000 2.583 416 D HA 0.400 5.335 4.640 0.493 0.000 0.232 416 D C 0.171 176.638 176.300 0.280 0.000 1.128 416 D CA 1.237 55.464 54.000 0.378 0.000 0.859 416 D CB 1.014 42.134 40.800 0.534 0.000 1.169 416 D HN 0.595 nan 8.370 nan 0.000 0.481 417 D N 0.596 121.042 120.400 0.077 0.000 2.479 417 D HA 0.077 5.013 4.640 0.493 0.000 0.246 417 D C 0.581 176.416 176.300 -0.776 0.000 1.336 417 D CA -0.453 53.261 54.000 -0.477 0.000 0.967 417 D CB 1.240 41.906 40.800 -0.225 0.000 1.275 417 D HN 0.049 nan 8.370 nan 0.000 0.577 418 S N 1.671 116.516 115.700 -1.425 0.000 2.400 418 S HA -0.166 4.600 4.470 0.493 0.000 0.232 418 S C 1.802 176.118 174.600 -0.473 0.000 1.025 418 S CA 2.246 59.775 58.200 -1.119 0.000 0.993 418 S CB 0.009 62.848 63.200 -0.601 0.000 0.808 418 S HN 0.689 nan 8.310 nan 0.000 0.478 419 T N -0.696 113.451 114.554 -0.678 0.000 3.081 419 T HA 0.192 4.838 4.350 0.493 0.000 0.255 419 T C 0.648 175.282 174.700 -0.111 0.000 1.113 419 T CA -0.236 61.584 62.100 -0.467 0.000 1.082 419 T CB -0.520 67.969 68.868 -0.632 0.000 0.939 419 T HN 0.215 nan 8.240 nan 0.000 0.506 420 L N 2.537 123.700 121.223 -0.099 0.000 2.906 420 L HA 0.232 4.868 4.340 0.493 0.000 0.292 420 L C 1.306 178.214 176.870 0.063 0.000 1.130 420 L CA 1.559 56.392 54.840 -0.012 0.000 0.940 420 L CB -0.822 41.255 42.059 0.031 0.000 1.336 420 L HN 0.637 nan 8.230 nan 0.000 0.469 421 G N 2.224 111.045 108.800 0.035 0.000 2.339 421 G HA2 -0.222 4.033 3.960 0.493 0.000 0.209 421 G HA3 -0.222 4.033 3.960 0.493 0.000 0.209 421 G C 0.141 175.108 174.900 0.111 0.000 1.015 421 G CA 0.036 45.188 45.100 0.086 0.000 0.635 421 G HN 0.667 nan 8.290 nan 0.000 0.499 422 D N 1.057 121.525 120.400 0.113 0.000 2.358 422 D HA 0.526 5.462 4.640 0.493 0.000 0.244 422 D C 1.363 177.706 176.300 0.073 0.000 1.163 422 D CA -0.391 53.682 54.000 0.121 0.000 0.945 422 D CB 0.504 41.405 40.800 0.170 0.000 1.152 422 D HN 0.374 nan 8.370 nan 0.000 0.451 423 L N 1.307 122.575 121.223 0.076 0.000 2.483 423 L HA 0.118 4.754 4.340 0.493 0.000 0.275 423 L C -1.839 175.047 176.870 0.026 0.000 1.220 423 L CA -1.372 53.492 54.840 0.040 0.000 0.833 423 L CB -0.298 41.782 42.059 0.034 0.000 1.102 423 L HN 0.137 nan 8.230 nan 0.000 0.490 424 P HA -0.062 nan 4.420 nan 0.000 0.263 424 P C -0.028 177.292 177.300 0.034 0.000 1.175 424 P CA 0.134 63.237 63.100 0.004 0.000 0.761 424 P CB 0.317 32.004 31.700 -0.021 0.000 0.794 425 G N 2.456 111.299 108.800 0.072 0.000 2.491 425 G HA2 0.038 4.294 3.960 0.493 0.000 0.242 425 G HA3 0.038 4.294 3.960 0.493 0.000 0.242 425 G C 1.113 176.099 174.900 0.143 0.000 1.266 425 G CA -0.531 44.660 45.100 0.152 0.000 0.844 425 G HN 0.500 nan 8.290 nan 0.000 0.571 426 L N 0.596 121.927 121.223 0.180 0.000 2.021 426 L HA -0.189 4.447 4.340 0.493 0.000 0.215 426 L C 2.924 179.909 176.870 0.193 0.000 1.074 426 L CA 1.818 56.761 54.840 0.171 0.000 0.760 426 L CB -0.226 41.949 42.059 0.194 0.000 0.889 426 L HN 0.552 nan 8.230 nan 0.000 0.433 427 K N 0.235 120.669 120.400 0.056 0.000 2.209 427 K HA -0.142 4.474 4.320 0.493 0.000 0.204 427 K C 1.913 178.493 176.600 -0.032 0.000 1.048 427 K CA 1.148 57.294 56.287 -0.236 0.000 0.940 427 K CB -0.230 31.721 32.500 -0.914 0.000 0.729 427 K HN 0.186 nan 8.250 nan 0.000 0.451 428 L N -0.800 120.498 121.223 0.124 0.000 2.012 428 L HA -0.149 4.487 4.340 0.493 0.000 0.210 428 L C 2.370 179.489 176.870 0.415 0.000 1.073 428 L CA 1.622 56.654 54.840 0.320 0.000 0.748 428 L CB -0.973 41.276 42.059 0.317 0.000 0.891 428 L HN 0.437 nan 8.230 nan 0.000 0.431 429 G N -1.112 107.873 108.800 0.309 0.000 2.480 429 G HA2 -0.315 3.940 3.960 0.493 0.000 0.216 429 G HA3 -0.315 3.940 3.960 0.493 0.000 0.216 429 G C 1.352 176.487 174.900 0.391 0.000 1.200 429 G CA 0.800 46.082 45.100 0.304 0.000 0.782 429 G HN 0.261 nan 8.290 nan 0.000 0.554 430 Y N 1.417 121.842 120.300 0.209 0.000 2.207 430 Y HA -0.132 4.714 4.550 0.493 0.000 0.287 430 Y C 2.920 178.701 175.900 -0.198 0.000 1.156 430 Y CA 1.534 59.640 58.100 0.011 0.000 1.182 430 Y CB -0.140 38.252 38.460 -0.115 0.000 0.979 430 Y HN 0.140 nan 8.280 nan 0.000 0.521 431 N N -0.416 118.295 118.700 0.018 0.000 2.080 431 N HA -0.163 4.873 4.740 0.493 0.000 0.189 431 N C 2.039 177.567 175.510 0.029 0.000 1.036 431 N CA 1.592 54.591 53.050 -0.085 0.000 0.846 431 N CB -0.929 37.551 38.487 -0.012 0.000 1.015 431 N HN 0.106 nan 8.380 nan 0.000 0.423 432 V N 1.548 121.628 119.914 0.276 0.000 2.324 432 V HA -0.251 4.165 4.120 0.493 0.000 0.250 432 V C 2.479 178.604 176.094 0.053 0.000 1.060 432 V CA 1.819 64.254 62.300 0.223 0.000 1.042 432 V CB -0.541 31.362 31.823 0.134 0.000 0.650 432 V HN 0.351 nan 8.190 nan 0.000 0.450 433 R N 0.089 120.512 120.500 -0.129 0.000 2.105 433 R HA -0.282 4.354 4.340 0.493 0.000 0.239 433 R C 2.332 178.321 176.300 -0.519 0.000 1.135 433 R CA 2.178 57.999 56.100 -0.464 0.000 0.967 433 R CB -0.307 29.252 30.300 -1.235 0.000 0.861 433 R HN 0.551 nan 8.270 nan 0.000 0.442 434 Q N -0.121 119.337 119.800 -0.571 0.000 2.084 434 Q HA -0.141 4.495 4.340 0.493 0.000 0.202 434 Q C 1.513 177.172 176.000 -0.568 0.000 0.978 434 Q CA 2.026 57.452 55.803 -0.627 0.000 0.844 434 Q CB -0.232 28.041 28.738 -0.775 0.000 0.898 434 Q HN 0.433 nan 8.270 nan 0.000 0.426 435 F N -0.245 119.603 119.950 -0.169 0.000 2.367 435 F HA 0.135 4.955 4.527 0.489 0.000 0.298 435 F C 2.151 178.057 175.800 0.176 0.000 1.094 435 F CA 0.649 58.625 58.000 -0.040 0.000 1.409 435 F CB -0.875 38.093 39.000 -0.054 0.000 1.064 435 F HN 0.185 nan 8.300 nan 0.000 0.528 436 A N 0.619 123.648 122.820 0.347 0.000 1.845 436 A HA -0.089 4.527 4.320 0.493 0.000 0.215 436 A C 2.643 180.306 177.584 0.131 0.000 1.195 436 A CA 1.908 54.128 52.037 0.305 0.000 0.616 436 A CB -1.592 17.521 19.000 0.189 0.000 0.832 436 A HN 0.378 nan 8.150 nan 0.000 0.443 437 G N -0.931 107.905 108.800 0.059 0.000 2.469 437 G HA2 -0.153 4.103 3.960 0.493 0.000 0.220 437 G HA3 -0.153 4.103 3.960 0.493 0.000 0.220 437 G C 1.489 176.398 174.900 0.015 0.000 1.136 437 G CA 1.377 46.521 45.100 0.073 0.000 0.759 437 G HN 0.356 nan 8.290 nan 0.000 0.562 438 V N 1.082 120.944 119.914 -0.087 0.000 2.535 438 V HA -0.080 4.336 4.120 0.493 0.000 0.246 438 V C 3.175 179.314 176.094 0.074 0.000 1.045 438 V CA 2.356 64.624 62.300 -0.052 0.000 1.058 438 V CB -0.113 31.563 31.823 -0.245 0.000 0.689 438 V HN 0.659 nan 8.190 nan 0.000 0.461 439 T N -3.487 111.143 114.554 0.126 0.000 3.044 439 T HA 0.257 4.903 4.350 0.493 0.000 0.255 439 T C 1.627 176.354 174.700 0.045 0.000 1.073 439 T CA 1.001 63.170 62.100 0.114 0.000 1.125 439 T CB 0.598 69.562 68.868 0.160 0.000 0.908 439 T HN 0.897 nan 8.240 nan 0.000 0.480 440 G N 1.947 110.770 108.800 0.039 0.000 2.159 440 G HA2 -0.261 3.994 3.960 0.493 0.000 0.256 440 G HA3 -0.261 3.994 3.960 0.493 0.000 0.256 440 G C -0.006 174.863 174.900 -0.052 0.000 0.977 440 G CA 0.024 45.127 45.100 0.005 0.000 0.652 440 G HN 0.792 nan 8.290 nan 0.000 0.531 441 N N 1.204 119.830 118.700 -0.123 0.000 2.420 441 N HA 0.355 5.390 4.740 0.493 0.000 0.262 441 N C 1.579 176.968 175.510 -0.202 0.000 1.144 441 N CA 0.841 53.712 53.050 -0.298 0.000 0.952 441 N CB 0.786 38.795 38.487 -0.797 0.000 1.081 441 N HN 0.264 nan 8.380 nan 0.000 0.480 442 G N 2.609 111.298 108.800 -0.184 0.000 2.448 442 G HA2 -0.193 4.063 3.960 0.493 0.000 0.218 442 G HA3 -0.193 4.063 3.960 0.493 0.000 0.218 442 G C 1.056 175.941 174.900 -0.024 0.000 1.135 442 G CA 0.605 45.641 45.100 -0.106 0.000 0.784 442 G HN 0.781 nan 8.290 nan 0.000 0.543 443 H N -1.053 118.034 119.070 0.028 0.000 2.421 443 H HA -0.059 4.792 4.556 0.492 0.000 0.298 443 H C 2.218 177.780 175.328 0.390 0.000 1.087 443 H CA 1.503 57.631 56.048 0.134 0.000 1.330 443 H CB -0.015 29.754 29.762 0.011 0.000 1.388 443 H HN 0.313 nan 8.280 nan 0.000 0.526 444 Y N 0.621 121.086 120.300 0.274 0.000 2.145 444 Y HA -0.198 4.649 4.550 0.495 0.000 0.286 444 Y C 2.698 178.771 175.900 0.288 0.000 1.145 444 Y CA 1.169 59.416 58.100 0.245 0.000 1.148 444 Y CB -0.850 37.708 38.460 0.163 0.000 0.981 444 Y HN 0.230 nan 8.280 nan 0.000 0.507 445 Q N -0.599 119.425 119.800 0.374 0.000 2.170 445 Q HA -0.203 4.432 4.340 0.493 0.000 0.203 445 Q C 2.199 178.407 176.000 0.347 0.000 0.976 445 Q CA 1.756 57.722 55.803 0.273 0.000 0.858 445 Q CB -0.731 28.101 28.738 0.157 0.000 0.907 445 Q HN 0.512 nan 8.270 nan 0.000 0.433 446 W N -0.450 120.978 121.300 0.213 0.000 2.333 446 W HA -0.301 4.654 4.660 0.492 0.000 0.316 446 W C 1.926 178.611 176.519 0.277 0.000 1.215 446 W CA 2.102 59.584 57.345 0.230 0.000 1.278 446 W CB -0.721 28.849 29.460 0.183 0.000 1.154 446 W HN 0.321 nan 8.180 nan 0.000 0.486 447 Y N 0.044 120.626 120.300 0.469 0.000 2.097 447 Y HA -0.335 4.510 4.550 0.492 0.000 0.282 447 Y C 2.433 178.356 175.900 0.038 0.000 1.152 447 Y CA 2.548 60.806 58.100 0.263 0.000 1.136 447 Y CB -1.373 37.263 38.460 0.292 0.000 0.975 447 Y HN 0.103 nan 8.280 nan 0.000 0.498 448 F N 1.339 121.334 119.950 0.074 0.000 2.043 448 F HA -0.299 4.523 4.527 0.492 0.000 0.297 448 F C 2.124 177.749 175.800 -0.292 0.000 1.121 448 F CA 2.357 60.270 58.000 -0.144 0.000 1.199 448 F CB -0.874 38.025 39.000 -0.170 0.000 0.968 448 F HN 0.082 nan 8.300 nan 0.000 0.478 449 D N -0.401 119.786 120.400 -0.355 0.000 2.127 449 D HA -0.252 4.684 4.640 0.493 0.000 0.190 449 D C 2.331 178.213 176.300 -0.696 0.000 1.000 449 D CA 2.095 55.760 54.000 -0.557 0.000 0.839 449 D CB -0.896 39.681 40.800 -0.373 0.000 0.955 449 D HN 0.503 nan 8.370 nan 0.000 0.446 450 H N -0.303 118.331 119.070 -0.727 0.000 2.395 450 H HA -0.017 4.834 4.556 0.492 0.000 0.299 450 H C 2.280 177.263 175.328 -0.576 0.000 1.070 450 H CA 0.465 56.080 56.048 -0.722 0.000 1.356 450 H CB 0.256 29.371 29.762 -1.078 0.000 1.401 450 H HN 0.133 nan 8.280 nan 0.000 0.524 451 I N 1.135 121.386 120.570 -0.532 0.000 2.163 451 I HA -0.246 4.219 4.170 0.493 0.000 0.240 451 I C 2.559 178.451 176.117 -0.375 0.000 1.081 451 I CA 1.044 62.067 61.300 -0.462 0.000 1.353 451 I CB -0.786 36.886 38.000 -0.548 0.000 1.054 451 I HN 0.153 nan 8.210 nan 0.000 0.407 452 K N 1.049 121.129 120.400 -0.533 0.000 2.113 452 K HA -0.211 4.405 4.320 0.493 0.000 0.208 452 K C 2.140 178.539 176.600 -0.335 0.000 1.047 452 K CA 1.818 57.808 56.287 -0.495 0.000 0.928 452 K CB 0.013 31.944 32.500 -0.947 0.000 0.716 452 K HN 0.292 nan 8.250 nan 0.000 0.446 453 A N 1.297 123.894 122.820 -0.373 0.000 1.854 453 A HA -0.133 4.483 4.320 0.493 0.000 0.214 453 A C 1.577 179.050 177.584 -0.185 0.000 1.192 453 A CA 1.804 53.674 52.037 -0.277 0.000 0.611 453 A CB -0.515 18.280 19.000 -0.342 0.000 0.832 453 A HN 0.365 nan 8.150 nan 0.000 0.442 454 D N -0.134 120.157 120.400 -0.181 0.000 2.351 454 D HA 0.088 5.024 4.640 0.493 0.000 0.216 454 D C 1.263 177.522 176.300 -0.067 0.000 0.968 454 D CA 1.229 55.166 54.000 -0.105 0.000 0.899 454 D CB -0.032 40.710 40.800 -0.097 0.000 0.907 454 D HN 0.430 nan 8.370 nan 0.000 0.514 455 A N 0.067 122.839 122.820 -0.079 0.000 2.589 455 A HA 0.206 4.821 4.320 0.493 0.000 0.283 455 A C 0.700 178.277 177.584 -0.012 0.000 1.187 455 A CA -0.336 51.687 52.037 -0.023 0.000 0.957 455 A CB -0.287 18.712 19.000 -0.001 0.000 1.175 455 A HN 0.135 nan 8.150 nan 0.000 0.532 456 T N -2.651 111.880 114.554 -0.038 0.000 2.926 456 T HA 0.441 5.087 4.350 0.493 0.000 0.307 456 T C 1.269 175.962 174.700 -0.012 0.000 1.059 456 T CA 0.569 62.653 62.100 -0.027 0.000 1.122 456 T CB 1.171 70.010 68.868 -0.047 0.000 0.972 456 T HN 1.689 nan 8.240 nan 0.000 0.545 457 G N 1.258 110.053 108.800 -0.009 0.000 2.157 457 G HA2 -0.280 3.976 3.960 0.493 0.000 0.248 457 G HA3 -0.280 3.976 3.960 0.493 0.000 0.248 457 G C 0.691 175.588 174.900 -0.006 0.000 0.979 457 G CA 0.378 45.471 45.100 -0.013 0.000 0.650 457 G HN 0.921 nan 8.290 nan 0.000 0.529 458 T N 0.660 115.220 114.554 0.009 0.000 3.022 458 T HA 0.132 4.777 4.350 0.493 0.000 0.250 458 T C 2.075 176.777 174.700 0.002 0.000 1.060 458 T CA 1.003 63.113 62.100 0.016 0.000 1.013 458 T CB -0.045 68.859 68.868 0.059 0.000 0.982 458 T HN 0.610 nan 8.240 nan 0.000 0.508 459 E N 0.634 120.847 120.200 0.021 0.000 2.396 459 E HA -0.106 4.539 4.350 0.493 0.000 0.200 459 E C 1.408 178.031 176.600 0.037 0.000 1.023 459 E CA 0.707 57.139 56.400 0.052 0.000 0.857 459 E CB -0.263 29.468 29.700 0.052 0.000 0.775 459 E HN 0.387 nan 8.360 nan 0.000 0.525 460 M N 0.904 120.482 119.600 -0.038 0.000 2.495 460 M HA 0.238 5.013 4.480 0.493 0.000 0.237 460 M C 0.470 176.722 176.300 -0.081 0.000 1.131 460 M CA -0.539 54.703 55.300 -0.097 0.000 1.032 460 M CB 0.143 32.643 32.600 -0.166 0.000 1.513 460 M HN 0.065 nan 8.290 nan 0.000 0.488 461 A N -0.032 122.706 122.820 -0.135 0.000 2.445 461 A HA 0.220 4.835 4.320 0.493 0.000 0.242 461 A C 0.997 178.412 177.584 -0.282 0.000 1.075 461 A CA -0.256 51.622 52.037 -0.265 0.000 0.777 461 A CB -0.482 18.147 19.000 -0.618 0.000 1.013 461 A HN 0.638 nan 8.150 nan 0.000 0.493 462 F N 0.976 120.824 119.950 -0.171 0.000 2.154 462 F HA -0.263 4.557 4.527 0.489 0.000 0.301 462 F C 1.441 177.369 175.800 0.214 0.000 1.087 462 F CA 1.638 59.667 58.000 0.048 0.000 1.274 462 F CB -0.976 38.099 39.000 0.126 0.000 1.009 462 F HN 0.628 nan 8.300 nan 0.000 0.485 463 Y N -0.901 118.967 120.300 -0.719 0.000 2.529 463 Y HA 0.369 5.214 4.550 0.491 0.000 0.290 463 Y C 1.297 177.045 175.900 -0.253 0.000 1.177 463 Y CA -0.444 57.375 58.100 -0.468 0.000 1.305 463 Y CB -1.330 36.697 38.460 -0.721 0.000 1.047 463 Y HN 0.105 nan 8.280 nan 0.000 0.522 464 N N -0.833 117.781 118.700 -0.143 0.000 2.684 464 N HA -0.065 4.971 4.740 0.493 0.000 0.220 464 N C 1.317 176.748 175.510 -0.132 0.000 1.037 464 N CA 0.613 53.639 53.050 -0.039 0.000 0.975 464 N CB -0.870 37.706 38.487 0.148 0.000 1.426 464 N HN 0.327 nan 8.380 nan 0.000 0.450 465 Y N 2.002 122.262 120.300 -0.066 0.000 2.224 465 Y HA 0.014 4.861 4.550 0.495 0.000 0.289 465 Y C 2.004 177.939 175.900 0.059 0.000 1.146 465 Y CA 1.745 59.868 58.100 0.038 0.000 1.182 465 Y CB -0.546 37.940 38.460 0.043 0.000 0.983 465 Y HN 0.088 nan 8.280 nan 0.000 0.524 466 G N -2.242 106.589 108.800 0.051 0.000 2.776 466 G HA2 -0.154 4.101 3.960 0.493 0.000 0.209 466 G HA3 -0.154 4.101 3.960 0.493 0.000 0.209 466 G C 0.574 175.091 174.900 -0.638 0.000 1.145 466 G CA 0.634 45.644 45.100 -0.150 0.000 0.791 466 G HN 0.580 nan 8.290 nan 0.000 0.530 467 W N -1.625 119.361 121.300 -0.522 0.000 3.864 467 W HA 0.379 5.324 4.660 0.475 0.000 0.197 467 W C -0.204 176.035 176.519 -0.467 0.000 1.100 467 W CA -0.577 56.326 57.345 -0.736 0.000 1.557 467 W CB 0.450 28.988 29.460 -1.537 0.000 0.673 467 W HN 0.180 nan 8.180 nan 0.000 0.888 468 W N -0.092 121.346 121.300 0.231 0.000 3.137 468 W HA 0.538 5.489 4.660 0.486 0.000 0.324 468 W C -1.449 175.148 176.519 0.131 0.000 1.253 468 W CA -1.300 56.132 57.345 0.144 0.000 1.183 468 W CB 0.238 29.695 29.460 -0.005 0.000 1.424 468 W HN -0.387 nan 8.180 nan 0.000 0.566 469 D N 1.890 122.481 120.400 0.318 0.000 2.414 469 D HA 0.265 5.201 4.640 0.493 0.000 0.232 469 D C 0.527 176.870 176.300 0.072 0.000 1.070 469 D CA -0.373 53.648 54.000 0.034 0.000 0.839 469 D CB 1.592 42.266 40.800 -0.210 0.000 1.079 469 D HN 0.640 nan 8.370 nan 0.000 0.521 470 L N 3.380 124.586 121.223 -0.029 0.000 2.201 470 L HA -0.117 4.518 4.340 0.493 0.000 0.212 470 L C 1.697 178.489 176.870 -0.129 0.000 1.105 470 L CA 0.749 55.431 54.840 -0.263 0.000 0.775 470 L CB -0.287 41.500 42.059 -0.453 0.000 0.913 470 L HN 0.376 nan 8.230 nan 0.000 0.440 471 N N -0.172 118.521 118.700 -0.012 0.000 2.244 471 N HA -0.206 4.830 4.740 0.493 0.000 0.183 471 N C 1.684 177.285 175.510 0.151 0.000 1.016 471 N CA 1.006 54.109 53.050 0.088 0.000 0.866 471 N CB -0.164 38.365 38.487 0.070 0.000 0.980 471 N HN 0.160 nan 8.380 nan 0.000 0.430 472 F N 1.924 121.855 119.950 -0.032 0.000 2.098 472 F HA -0.074 4.747 4.527 0.491 0.000 0.294 472 F C 1.561 177.193 175.800 -0.281 0.000 1.107 472 F CA 1.297 59.161 58.000 -0.227 0.000 1.234 472 F CB -0.244 38.648 39.000 -0.181 0.000 1.002 472 F HN -0.094 nan 8.300 nan 0.000 0.472 473 D N 0.204 120.499 120.400 -0.174 0.000 2.182 473 D HA -0.213 4.723 4.640 0.493 0.000 0.201 473 D C 1.979 178.165 176.300 -0.190 0.000 0.986 473 D CA 1.472 55.326 54.000 -0.244 0.000 0.847 473 D CB -0.583 40.107 40.800 -0.184 0.000 0.942 473 D HN 0.380 nan 8.370 nan 0.000 0.467 474 D N -0.172 120.176 120.400 -0.087 0.000 2.097 474 D HA -0.116 4.820 4.640 0.493 0.000 0.197 474 D C 2.155 178.432 176.300 -0.039 0.000 0.984 474 D CA 0.366 54.401 54.000 0.058 0.000 0.826 474 D CB 0.008 40.896 40.800 0.146 0.000 0.973 474 D HN 0.102 nan 8.370 nan 0.000 0.460 475 L N 0.716 121.807 121.223 -0.221 0.000 1.976 475 L HA -0.177 4.459 4.340 0.493 0.000 0.209 475 L C 2.626 179.294 176.870 -0.337 0.000 1.071 475 L CA 1.345 56.021 54.840 -0.273 0.000 0.746 475 L CB -0.734 41.002 42.059 -0.538 0.000 0.890 475 L HN -0.110 nan 8.230 nan 0.000 0.432 476 V N -0.831 118.617 119.914 -0.776 0.000 2.250 476 V HA -0.407 4.009 4.120 0.493 0.000 0.250 476 V C 2.275 178.302 176.094 -0.112 0.000 1.060 476 V CA 2.491 64.351 62.300 -0.733 0.000 1.030 476 V CB -1.044 30.190 31.823 -0.981 0.000 0.643 476 V HN 0.648 nan 8.190 nan 0.000 0.445 477 Y N 0.925 121.128 120.300 -0.162 0.000 2.114 477 Y HA -0.233 4.612 4.550 0.492 0.000 0.284 477 Y C 2.764 178.704 175.900 0.066 0.000 1.143 477 Y CA 1.962 60.056 58.100 -0.011 0.000 1.135 477 Y CB -0.240 38.136 38.460 -0.140 0.000 0.980 477 Y HN 0.062 nan 8.280 nan 0.000 0.499 478 R N -1.083 119.484 120.500 0.111 0.000 2.148 478 R HA -0.186 4.450 4.340 0.493 0.000 0.227 478 R C 2.358 178.660 176.300 0.004 0.000 1.103 478 R CA 1.257 57.389 56.100 0.053 0.000 0.983 478 R CB -0.570 29.789 30.300 0.100 0.000 0.874 478 R HN 0.530 nan 8.270 nan 0.000 0.451 479 H N 0.382 119.445 119.070 -0.011 0.000 2.436 479 H HA -0.051 4.801 4.556 0.492 0.000 0.294 479 H C 0.529 175.831 175.328 -0.044 0.000 1.048 479 H CA 1.235 57.300 56.048 0.029 0.000 1.353 479 H CB 0.507 30.351 29.762 0.137 0.000 1.414 479 H HN 0.090 nan 8.280 nan 0.000 0.536 480 D N -0.955 119.409 120.400 -0.061 0.000 2.392 480 D HA 0.077 5.012 4.640 0.493 0.000 0.206 480 D C -0.476 175.411 176.300 -0.688 0.000 1.046 480 D CA 0.310 54.141 54.000 -0.283 0.000 0.865 480 D CB 0.406 41.151 40.800 -0.093 0.000 0.969 480 D HN 0.244 nan 8.370 nan 0.000 0.509 481 Y N 0.272 120.274 120.300 -0.497 0.000 2.512 481 Y HA 0.355 5.201 4.550 0.492 0.000 0.348 481 Y C -1.820 173.800 175.900 -0.466 0.000 0.990 481 Y CA -2.268 55.470 58.100 -0.604 0.000 1.033 481 Y CB 1.412 39.216 38.460 -1.094 0.000 1.259 481 Y HN -0.238 nan 8.280 nan 0.000 0.461 482 P HA -0.084 nan 4.420 nan 0.000 0.271 482 P C -0.758 176.541 177.300 -0.001 0.000 1.233 482 P CA -0.133 62.933 63.100 -0.056 0.000 0.795 482 P CB 0.786 32.479 31.700 -0.011 0.000 0.936 483 Q N 0.781 120.596 119.800 0.025 0.000 2.842 483 Q HA 0.257 4.893 4.340 0.493 0.000 0.323 483 Q C -0.886 175.148 176.000 0.056 0.000 1.111 483 Q CA -0.670 55.169 55.803 0.061 0.000 1.047 483 Q CB -1.064 27.698 28.738 0.040 0.000 1.280 483 Q HN 0.136 nan 8.270 nan 0.000 0.475 484 V N 2.472 122.427 119.914 0.069 0.000 2.953 484 V HA -0.054 4.362 4.120 0.493 0.000 0.304 484 V C 0.679 176.799 176.094 0.042 0.000 1.138 484 V CA 0.447 62.776 62.300 0.049 0.000 1.266 484 V CB 0.266 32.122 31.823 0.056 0.000 0.923 484 V HN 0.555 nan 8.190 nan 0.000 0.505 485 E N 2.488 122.708 120.200 0.034 0.000 2.277 485 E HA 0.594 5.239 4.350 0.493 0.000 0.274 485 E C 0.089 176.722 176.600 0.055 0.000 1.022 485 E CA -0.539 55.884 56.400 0.039 0.000 0.853 485 E CB 1.501 31.216 29.700 0.025 0.000 1.086 485 E HN 0.768 nan 8.360 nan 0.000 0.397 486 A N 1.937 124.811 122.820 0.090 0.000 2.388 486 A HA 0.403 5.019 4.320 0.493 0.000 0.257 486 A C -0.174 177.484 177.584 0.124 0.000 1.095 486 A CA -0.463 51.669 52.037 0.158 0.000 0.791 486 A CB 0.482 19.608 19.000 0.210 0.000 1.029 486 A HN 0.324 nan 8.150 nan 0.000 0.489 487 V N 2.122 122.098 119.914 0.104 0.000 2.588 487 V HA 0.344 4.760 4.120 0.493 0.000 0.304 487 V C 0.666 176.745 176.094 -0.024 0.000 1.042 487 V CA -0.568 61.709 62.300 -0.037 0.000 0.877 487 V CB 1.758 33.394 31.823 -0.312 0.000 0.996 487 V HN 1.040 nan 8.190 nan 0.000 0.425 488 S N 6.641 122.321 115.700 -0.033 0.000 2.575 488 S HA 0.101 4.867 4.470 0.493 0.000 0.295 488 S C -1.068 173.372 174.600 -0.268 0.000 1.267 488 S CA -0.537 57.536 58.200 -0.212 0.000 1.074 488 S CB 0.653 63.806 63.200 -0.079 0.000 0.829 488 S HN 0.706 nan 8.310 nan 0.000 0.497 489 P HA 0.098 nan 4.420 nan 0.000 0.252 489 P C 0.844 177.943 177.300 -0.334 0.000 1.265 489 P CA 0.335 63.176 63.100 -0.431 0.000 0.775 489 P CB -0.261 30.867 31.700 -0.954 0.000 1.128 490 A N 1.832 124.514 122.820 -0.230 0.000 1.972 490 A HA -0.172 4.444 4.320 0.493 0.000 0.219 490 A C 1.787 179.313 177.584 -0.097 0.000 1.169 490 A CA 1.811 53.758 52.037 -0.149 0.000 0.635 490 A CB -0.954 17.989 19.000 -0.095 0.000 0.810 490 A HN 0.277 nan 8.150 nan 0.000 0.446 491 D N -0.940 119.429 120.400 -0.051 0.000 2.340 491 D HA 0.082 5.018 4.640 0.493 0.000 0.220 491 D C 0.414 176.656 176.300 -0.097 0.000 1.039 491 D CA -0.315 53.668 54.000 -0.028 0.000 0.866 491 D CB -0.504 40.322 40.800 0.042 0.000 0.913 491 D HN 0.265 nan 8.370 nan 0.000 0.523 492 L N 3.189 124.276 121.223 -0.228 0.000 2.534 492 L HA 0.160 4.795 4.340 0.493 0.000 0.271 492 L C -1.951 174.864 176.870 -0.091 0.000 1.178 492 L CA -1.205 53.467 54.840 -0.280 0.000 0.907 492 L CB -0.004 41.801 42.059 -0.423 0.000 1.164 492 L HN -0.154 nan 8.230 nan 0.000 0.482 493 P HA -0.028 nan 4.420 nan 0.000 0.264 493 P C 0.217 177.587 177.300 0.116 0.000 1.183 493 P CA 0.253 63.379 63.100 0.043 0.000 0.763 493 P CB 0.712 32.434 31.700 0.037 0.000 0.807 494 A N 4.032 126.905 122.820 0.088 0.000 1.873 494 A HA -0.152 4.463 4.320 0.493 0.000 0.218 494 A C 1.076 178.777 177.584 0.194 0.000 1.193 494 A CA 1.302 53.415 52.037 0.126 0.000 0.629 494 A CB -0.874 18.194 19.000 0.112 0.000 0.826 494 A HN 0.564 nan 8.150 nan 0.000 0.447 495 L N -1.224 120.059 121.223 0.101 0.000 2.322 495 L HA 0.664 5.300 4.340 0.493 0.000 0.279 495 L C -0.263 176.514 176.870 -0.154 0.000 1.036 495 L CA 0.157 55.011 54.840 0.023 0.000 0.807 495 L CB 1.552 43.611 42.059 -0.001 0.000 1.226 495 L HN 0.316 nan 8.230 nan 0.000 0.433 496 A N 4.856 127.474 122.820 -0.337 0.000 2.414 496 A HA 0.693 5.309 4.320 0.493 0.000 0.286 496 A C -1.474 175.763 177.584 -0.577 0.000 1.073 496 A CA -0.534 51.094 52.037 -0.682 0.000 0.727 496 A CB 1.273 19.415 19.000 -1.429 0.000 1.215 496 A HN 0.448 nan 8.150 nan 0.000 0.430 497 V N 2.155 121.772 119.914 -0.494 0.000 2.427 497 V HA 0.459 4.875 4.120 0.493 0.000 0.286 497 V C -0.822 175.009 176.094 -0.438 0.000 1.034 497 V CA -0.133 61.999 62.300 -0.279 0.000 0.893 497 V CB 0.953 32.716 31.823 -0.099 0.000 0.982 497 V HN 0.709 nan 8.190 nan 0.000 0.452 498 F N 2.514 122.537 119.950 0.120 0.000 2.310 498 F HA 0.369 5.194 4.527 0.495 0.000 0.365 498 F C 1.306 177.179 175.800 0.122 0.000 1.080 498 F CA -0.459 57.607 58.000 0.111 0.000 1.187 498 F CB 0.732 39.826 39.000 0.156 0.000 1.465 498 F HN 0.528 nan 8.300 nan 0.000 0.496 499 D N 1.059 121.565 120.400 0.177 0.000 2.178 499 D HA -0.141 4.795 4.640 0.493 0.000 0.202 499 D C 1.303 177.693 176.300 0.149 0.000 0.974 499 D CA 1.267 55.354 54.000 0.145 0.000 0.841 499 D CB 0.227 41.076 40.800 0.080 0.000 0.953 499 D HN 0.480 nan 8.370 nan 0.000 0.478 500 D N 0.409 120.889 120.400 0.134 0.000 2.309 500 D HA -0.084 4.852 4.640 0.493 0.000 0.212 500 D C 2.030 178.421 176.300 0.152 0.000 0.968 500 D CA 0.566 54.628 54.000 0.104 0.000 0.882 500 D CB 0.153 40.984 40.800 0.051 0.000 0.918 500 D HN 0.509 nan 8.370 nan 0.000 0.503 501 I N -5.622 115.050 120.570 0.169 0.000 4.403 501 I HA 0.379 4.845 4.170 0.493 0.000 0.331 501 I C 0.954 177.299 176.117 0.380 0.000 1.327 501 I CA 0.094 61.511 61.300 0.195 0.000 1.175 501 I CB 0.656 38.555 38.000 -0.169 0.000 1.165 501 I HN -0.097 nan 8.210 nan 0.000 0.413 502 G N 1.446 110.463 108.800 0.362 0.000 2.291 502 G HA2 -0.251 4.005 3.960 0.493 0.000 0.271 502 G HA3 -0.251 4.005 3.960 0.493 0.000 0.271 502 G C -0.922 174.217 174.900 0.398 0.000 1.099 502 G CA -0.216 45.080 45.100 0.328 0.000 0.919 502 G HN 0.405 nan 8.290 nan 0.000 0.496 503 W N -0.243 121.174 121.300 0.195 0.000 2.538 503 W HA 0.735 5.692 4.660 0.494 0.000 0.322 503 W C 0.069 176.795 176.519 0.345 0.000 1.028 503 W CA -0.517 56.976 57.345 0.247 0.000 1.228 503 W CB 1.900 31.545 29.460 0.308 0.000 1.356 503 W HN 0.797 nan 8.180 nan 0.000 0.452 504 A N 2.509 125.592 122.820 0.438 0.000 2.331 504 A HA 0.864 5.480 4.320 0.493 0.000 0.320 504 A C -0.219 177.567 177.584 0.337 0.000 1.138 504 A CA -0.519 51.731 52.037 0.355 0.000 0.790 504 A CB 0.775 19.962 19.000 0.311 0.000 1.206 504 A HN 0.477 nan 8.150 nan 0.000 0.470 505 T N -0.382 114.348 114.554 0.293 0.000 2.893 505 T HA 0.777 5.423 4.350 0.493 0.000 0.291 505 T C -0.659 174.204 174.700 0.271 0.000 1.028 505 T CA -0.499 61.785 62.100 0.306 0.000 0.995 505 T CB 0.962 70.067 68.868 0.395 0.000 1.051 505 T HN 0.471 nan 8.240 nan 0.000 0.470 506 I N 1.876 122.625 120.570 0.299 0.000 2.499 506 I HA 0.406 4.871 4.170 0.493 0.000 0.288 506 I C -0.572 175.648 176.117 0.171 0.000 1.048 506 I CA -0.928 60.481 61.300 0.183 0.000 1.062 506 I CB 2.241 40.199 38.000 -0.070 0.000 1.238 506 I HN 0.440 nan 8.210 nan 0.000 0.426 507 Q N 5.614 125.520 119.800 0.176 0.000 2.331 507 Q HA 0.517 5.153 4.340 0.493 0.000 0.267 507 Q C -1.053 174.985 176.000 0.063 0.000 1.006 507 Q CA -0.873 54.980 55.803 0.082 0.000 0.818 507 Q CB 3.035 31.725 28.738 -0.080 0.000 1.276 507 Q HN 0.364 nan 8.270 nan 0.000 0.450 508 K N 2.064 122.517 120.400 0.087 0.000 2.324 508 K HA 0.239 4.854 4.320 0.493 0.000 0.253 508 K C -0.790 175.876 176.600 0.109 0.000 0.932 508 K CA -0.530 55.807 56.287 0.084 0.000 0.799 508 K CB 1.365 33.924 32.500 0.097 0.000 1.154 508 K HN 0.558 nan 8.250 nan 0.000 0.425 509 D N 2.641 123.066 120.400 0.042 0.000 2.802 509 D HA -0.249 4.686 4.640 0.493 0.000 0.229 509 D C 0.871 177.185 176.300 0.024 0.000 1.203 509 D CA 0.465 54.478 54.000 0.022 0.000 0.712 509 D CB -0.484 40.346 40.800 0.049 0.000 0.973 509 D HN 0.610 nan 8.370 nan 0.000 0.407 510 M N 0.335 119.873 119.600 -0.104 0.000 2.279 510 M HA -0.194 4.581 4.480 0.493 0.000 0.264 510 M C 2.131 178.231 176.300 -0.332 0.000 1.062 510 M CA 1.582 56.691 55.300 -0.318 0.000 1.099 510 M CB 0.163 32.523 32.600 -0.400 0.000 1.394 510 M HN 0.149 nan 8.290 nan 0.000 0.426 511 E N -0.667 119.393 120.200 -0.234 0.000 2.435 511 E HA -0.083 4.563 4.350 0.493 0.000 0.195 511 E C -0.248 176.373 176.600 0.036 0.000 1.029 511 E CA 0.502 56.860 56.400 -0.070 0.000 0.865 511 E CB -0.379 29.258 29.700 -0.107 0.000 0.833 511 E HN 0.366 nan 8.360 nan 0.000 0.510 512 D N 1.961 122.382 120.400 0.034 0.000 2.414 512 D HA 0.151 5.087 4.640 0.493 0.000 0.232 512 D C -1.810 174.576 176.300 0.144 0.000 1.070 512 D CA -2.553 51.500 54.000 0.088 0.000 0.839 512 D CB 1.910 42.758 40.800 0.079 0.000 1.079 512 D HN -0.175 nan 8.370 nan 0.000 0.521 513 P HA -0.017 nan 4.420 nan 0.000 0.234 513 P C 0.186 177.595 177.300 0.181 0.000 1.167 513 P CA 0.536 63.749 63.100 0.188 0.000 0.763 513 P CB 0.727 32.516 31.700 0.149 0.000 0.835 514 D N -0.445 120.047 120.400 0.153 0.000 2.338 514 D HA 0.065 5.000 4.640 0.493 0.000 0.208 514 D C 1.813 178.215 176.300 0.170 0.000 0.997 514 D CA 0.634 54.724 54.000 0.150 0.000 0.880 514 D CB 0.075 40.953 40.800 0.131 0.000 0.980 514 D HN 0.231 nan 8.370 nan 0.000 0.509 515 R N -0.506 120.080 120.500 0.143 0.000 2.476 515 R HA 0.116 4.751 4.340 0.493 0.000 0.276 515 R C 0.667 177.009 176.300 0.070 0.000 0.941 515 R CA -0.277 55.867 56.100 0.073 0.000 1.088 515 R CB 0.582 30.927 30.300 0.076 0.000 1.216 515 R HN 0.249 nan 8.270 nan 0.000 0.533 516 H N 1.873 120.982 119.070 0.065 0.000 2.975 516 H HA 0.126 4.978 4.556 0.492 0.000 0.303 516 H C -0.960 174.480 175.328 0.188 0.000 1.023 516 H CA 0.146 56.272 56.048 0.129 0.000 1.473 516 H CB 0.589 30.479 29.762 0.213 0.000 1.498 516 H HN 0.003 nan 8.280 nan 0.000 0.549 517 L N 5.592 126.807 121.223 -0.014 0.000 2.333 517 L HA 0.326 4.962 4.340 0.493 0.000 0.280 517 L C -1.127 175.697 176.870 -0.077 0.000 1.004 517 L CA -0.634 54.175 54.840 -0.052 0.000 0.820 517 L CB 1.721 43.777 42.059 -0.006 0.000 1.247 517 L HN 0.706 nan 8.230 nan 0.000 0.416 518 Q N 4.513 124.297 119.800 -0.027 0.000 2.325 518 Q HA 0.398 5.033 4.340 0.493 0.000 0.270 518 Q C -2.060 174.009 176.000 0.114 0.000 1.020 518 Q CA -0.652 55.153 55.803 0.003 0.000 0.785 518 Q CB 1.884 30.535 28.738 -0.143 0.000 1.259 518 Q HN 0.688 nan 8.270 nan 0.000 0.452 519 F N 4.293 124.225 119.950 -0.030 0.000 2.529 519 F HA 0.679 5.502 4.527 0.494 0.000 0.320 519 F C -1.841 173.982 175.800 0.039 0.000 1.118 519 F CA -0.749 57.232 58.000 -0.033 0.000 0.915 519 F CB 1.739 40.695 39.000 -0.074 0.000 1.161 519 F HN 0.324 nan 8.300 nan 0.000 0.445 520 V N 7.919 127.442 119.914 -0.651 0.000 2.733 520 V HA 0.605 5.020 4.120 0.493 0.000 0.306 520 V C -2.187 173.595 176.094 -0.519 0.000 1.084 520 V CA -0.648 61.418 62.300 -0.391 0.000 0.905 520 V CB 1.708 33.486 31.823 -0.075 0.000 1.010 520 V HN 0.748 nan 8.190 nan 0.000 0.424 521 F N 6.394 126.103 119.950 -0.402 0.000 2.508 521 F HA 0.765 5.588 4.527 0.494 0.000 0.325 521 F C -0.512 175.100 175.800 -0.314 0.000 1.090 521 F CA -0.473 57.379 58.000 -0.247 0.000 0.945 521 F CB 1.596 40.580 39.000 -0.026 0.000 1.156 521 F HN 0.610 nan 8.300 nan 0.000 0.463 522 K N 4.402 124.006 120.400 -1.326 0.000 2.507 522 K HA 0.486 5.102 4.320 0.493 0.000 0.252 522 K C -1.811 174.058 176.600 -1.219 0.000 0.943 522 K CA -0.493 55.000 56.287 -1.324 0.000 0.808 522 K CB 1.747 33.080 32.500 -1.946 0.000 1.142 522 K HN 0.637 nan 8.250 nan 0.000 0.426 523 S N 2.581 117.880 115.700 -0.667 0.000 2.746 523 S HA 0.266 5.032 4.470 0.493 0.000 0.273 523 S C -1.579 172.960 174.600 -0.102 0.000 1.172 523 S CA -0.446 57.546 58.200 -0.346 0.000 1.116 523 S CB 1.167 64.304 63.200 -0.105 0.000 1.057 523 S HN 0.550 nan 8.310 nan 0.000 0.483 524 S N 4.199 119.849 115.700 -0.084 0.000 2.472 524 S HA 0.600 5.366 4.470 0.493 0.000 0.303 524 S C -2.230 172.434 174.600 0.107 0.000 1.099 524 S CA -1.795 56.460 58.200 0.091 0.000 1.077 524 S CB 1.208 64.508 63.200 0.166 0.000 1.031 524 S HN 0.470 nan 8.310 nan 0.000 0.487 525 P HA 0.076 nan 4.420 nan 0.000 0.244 525 P C -0.348 176.915 177.300 -0.063 0.000 1.211 525 P CA 0.691 63.804 63.100 0.022 0.000 0.760 525 P CB -0.189 31.499 31.700 -0.020 0.000 0.961 526 Y N -1.234 119.063 120.300 -0.005 0.000 2.458 526 Y HA 0.277 5.118 4.550 0.486 0.000 0.256 526 Y C 2.017 177.903 175.900 -0.024 0.000 1.159 526 Y CA 0.230 58.324 58.100 -0.009 0.000 1.261 526 Y CB -0.296 38.193 38.460 0.049 0.000 1.119 526 Y HN 0.015 nan 8.280 nan 0.000 0.524 527 G N 1.085 109.932 108.800 0.079 0.000 2.627 527 G HA2 -0.406 3.850 3.960 0.493 0.000 0.312 527 G HA3 -0.406 3.850 3.960 0.493 0.000 0.312 527 G C 0.904 175.815 174.900 0.018 0.000 1.299 527 G CA 0.729 45.840 45.100 0.018 0.000 0.989 527 G HN 0.583 nan 8.290 nan 0.000 0.547 528 S N -0.459 115.249 115.700 0.014 0.000 2.573 528 S HA 0.529 5.295 4.470 0.493 0.000 0.244 528 S C 0.427 175.050 174.600 0.039 0.000 0.984 528 S CA 0.519 58.717 58.200 -0.004 0.000 1.001 528 S CB 0.498 63.668 63.200 -0.050 0.000 0.788 528 S HN 1.250 nan 8.310 nan 0.000 0.456 529 L N 1.853 123.127 121.223 0.085 0.000 2.426 529 L HA 0.471 5.107 4.340 0.493 0.000 0.271 529 L C 0.941 177.900 176.870 0.147 0.000 1.169 529 L CA 1.084 56.005 54.840 0.135 0.000 0.836 529 L CB 0.431 42.585 42.059 0.158 0.000 1.112 529 L HN 0.470 nan 8.230 nan 0.000 0.465 530 S N 3.053 118.854 115.700 0.169 0.000 4.150 530 S HA -0.382 4.384 4.470 0.493 0.000 0.551 530 S C 1.272 175.875 174.600 0.006 0.000 1.874 530 S CA 1.985 60.256 58.200 0.118 0.000 4.241 530 S CB -1.736 61.504 63.200 0.067 0.000 0.292 530 S HN 1.449 nan 8.310 nan 0.000 0.469 531 A N 0.842 123.511 122.820 -0.251 0.000 2.119 531 A HA 0.457 5.073 4.320 0.493 0.000 0.216 531 A C 1.077 178.452 177.584 -0.348 0.000 1.152 531 A CA 1.255 53.038 52.037 -0.423 0.000 0.708 531 A CB -0.355 17.911 19.000 -1.223 0.000 0.805 531 A HN 0.727 nan 8.150 nan 0.000 0.460 532 S N -0.067 115.484 115.700 -0.248 0.000 2.593 532 S HA 0.389 5.155 4.470 0.493 0.000 0.269 532 S C -0.055 174.415 174.600 -0.217 0.000 1.334 532 S CA -0.264 57.783 58.200 -0.254 0.000 1.015 532 S CB 0.225 63.374 63.200 -0.084 0.000 0.912 532 S HN 0.668 nan 8.310 nan 0.000 0.541 533 H N -0.930 118.070 119.070 -0.116 0.000 2.810 533 H HA 0.547 5.399 4.556 0.492 0.000 0.316 533 H C 0.881 176.082 175.328 -0.212 0.000 1.426 533 H CA -1.166 54.772 56.048 -0.182 0.000 1.413 533 H CB 0.592 30.231 29.762 -0.206 0.000 1.874 533 H HN 0.715 nan 8.280 nan 0.000 0.737 534 G N 0.896 109.634 108.800 -0.104 0.000 3.213 534 G HA2 0.094 4.350 3.960 0.493 0.000 0.263 534 G HA3 0.094 4.350 3.960 0.493 0.000 0.263 534 G C -0.662 174.088 174.900 -0.250 0.000 0.829 534 G CA -0.250 44.727 45.100 -0.206 0.000 1.983 534 G HN 0.688 nan 8.290 nan 0.000 0.616 535 D N -0.312 119.929 120.400 -0.264 0.000 2.837 535 D HA 0.066 5.001 4.640 0.493 0.000 0.340 535 D C 0.212 176.234 176.300 -0.464 0.000 1.451 535 D CA -0.513 53.285 54.000 -0.337 0.000 0.798 535 D CB 0.057 40.667 40.800 -0.317 0.000 1.169 535 D HN 0.089 nan 8.370 nan 0.000 0.449 536 Q N 0.773 120.366 119.800 -0.345 0.000 2.352 536 Q HA 0.278 4.913 4.340 0.493 0.000 0.260 536 Q C 0.396 176.246 176.000 -0.249 0.000 0.976 536 Q CA 0.035 55.641 55.803 -0.329 0.000 0.881 536 Q CB 0.371 29.007 28.738 -0.171 0.000 1.235 536 Q HN 0.138 nan 8.270 nan 0.000 0.419 537 N N -1.330 117.130 118.700 -0.401 0.000 2.741 537 N HA -0.189 4.847 4.740 0.493 0.000 0.250 537 N C -1.044 174.377 175.510 -0.148 0.000 1.115 537 N CA 1.110 54.041 53.050 -0.198 0.000 0.724 537 N CB -1.151 37.435 38.487 0.166 0.000 1.090 537 N HN 0.696 nan 8.380 nan 0.000 0.558 538 A N -0.145 122.408 122.820 -0.446 0.000 2.282 538 A HA 0.782 5.397 4.320 0.493 0.000 0.319 538 A C 0.087 177.641 177.584 -0.049 0.000 1.121 538 A CA -0.492 51.410 52.037 -0.224 0.000 0.836 538 A CB 0.673 19.483 19.000 -0.316 0.000 1.146 538 A HN 0.377 nan 8.150 nan 0.000 0.494 539 F N -0.206 119.753 119.950 0.015 0.000 2.613 539 F HA 0.777 5.599 4.527 0.493 0.000 0.314 539 F C -0.706 174.997 175.800 -0.162 0.000 1.075 539 F CA -1.210 56.761 58.000 -0.048 0.000 0.945 539 F CB 1.555 40.549 39.000 -0.010 0.000 1.310 539 F HN 0.601 nan 8.300 nan 0.000 0.467 540 V N 1.153 120.838 119.914 -0.381 0.000 2.789 540 V HA 0.842 5.257 4.120 0.493 0.000 0.311 540 V C -1.835 174.127 176.094 -0.222 0.000 1.073 540 V CA -0.917 61.098 62.300 -0.474 0.000 0.921 540 V CB 1.532 32.965 31.823 -0.650 0.000 1.009 540 V HN 1.067 nan 8.190 nan 0.000 0.426 541 L N 4.452 125.604 121.223 -0.119 0.000 2.406 541 L HA 0.601 5.237 4.340 0.493 0.000 0.270 541 L C -1.402 175.465 176.870 -0.005 0.000 0.982 541 L CA -0.505 54.339 54.840 0.006 0.000 0.843 541 L CB 1.610 43.661 42.059 -0.012 0.000 1.225 541 L HN 0.864 nan 8.230 nan 0.000 0.412 542 Y N 5.169 125.413 120.300 -0.094 0.000 2.356 542 Y HA 0.809 5.655 4.550 0.493 0.000 0.334 542 Y C -0.467 175.378 175.900 -0.092 0.000 0.958 542 Y CA -0.313 57.728 58.100 -0.098 0.000 1.196 542 Y CB 1.032 39.406 38.460 -0.145 0.000 1.137 542 Y HN 0.791 nan 8.280 nan 0.000 0.485 543 A N 3.494 126.169 122.820 -0.243 0.000 2.423 543 A HA 0.543 5.158 4.320 0.493 0.000 0.304 543 A C -0.580 176.892 177.584 -0.187 0.000 1.104 543 A CA -0.903 51.048 52.037 -0.144 0.000 0.757 543 A CB 0.437 19.473 19.000 0.059 0.000 1.313 543 A HN 1.024 nan 8.150 nan 0.000 0.423 544 H N -0.142 118.865 119.070 -0.106 0.000 2.731 544 H HA -0.179 4.673 4.556 0.493 0.000 0.305 544 H C 1.307 176.567 175.328 -0.114 0.000 1.132 544 H CA 1.952 57.966 56.048 -0.057 0.000 1.148 544 H CB -1.254 28.494 29.762 -0.023 0.000 1.379 544 H HN 2.327 nan 8.280 nan 0.000 0.398 545 G N -0.556 108.154 108.800 -0.149 0.000 2.147 545 G HA2 -0.320 3.936 3.960 0.493 0.000 0.244 545 G HA3 -0.320 3.936 3.960 0.493 0.000 0.244 545 G C -0.009 174.694 174.900 -0.327 0.000 1.005 545 G CA 0.514 45.572 45.100 -0.070 0.000 0.713 545 G HN 0.727 nan 8.290 nan 0.000 0.515 546 E N -0.467 119.239 120.200 -0.823 0.000 2.383 546 E HA 0.349 4.995 4.350 0.493 0.000 0.275 546 E C -1.428 174.790 176.600 -0.638 0.000 0.918 546 E CA -0.954 55.140 56.400 -0.510 0.000 0.764 546 E CB 1.217 30.825 29.700 -0.153 0.000 1.252 546 E HN 0.037 nan 8.360 nan 0.000 0.449 547 D N 3.069 123.416 120.400 -0.088 0.000 2.339 547 D HA 0.162 5.097 4.640 0.493 0.000 0.256 547 D C 0.538 176.888 176.300 0.084 0.000 1.214 547 D CA 0.382 54.431 54.000 0.082 0.000 0.877 547 D CB 1.093 41.987 40.800 0.155 0.000 1.111 547 D HN 0.384 nan 8.370 nan 0.000 0.478 548 L N 1.736 122.987 121.223 0.045 0.000 2.488 548 L HA 0.248 4.884 4.340 0.493 0.000 0.186 548 L C 1.089 177.987 176.870 0.045 0.000 1.124 548 L CA 0.044 54.982 54.840 0.163 0.000 0.838 548 L CB -0.108 42.002 42.059 0.085 0.000 1.107 548 L HN 0.257 nan 8.230 nan 0.000 0.494 549 A N 1.912 124.634 122.820 -0.162 0.000 2.478 549 A HA 0.552 5.168 4.320 0.493 0.000 0.327 549 A C -0.146 177.298 177.584 -0.235 0.000 1.431 549 A CA -0.442 51.481 52.037 -0.189 0.000 1.014 549 A CB -0.724 18.114 19.000 -0.269 0.000 1.143 549 A HN 0.340 nan 8.150 nan 0.000 0.532 550 I N -0.917 119.540 120.570 -0.188 0.000 2.783 550 I HA 0.613 5.078 4.170 0.493 0.000 0.312 550 I C 0.057 175.986 176.117 -0.314 0.000 0.988 550 I CA -1.079 60.083 61.300 -0.230 0.000 1.182 550 I CB 1.127 38.999 38.000 -0.213 0.000 1.368 550 I HN 0.451 nan 8.210 nan 0.000 0.511 551 Q N 2.870 122.465 119.800 -0.340 0.000 2.293 551 Q HA 0.269 4.904 4.340 0.493 0.000 0.263 551 Q C -0.437 175.398 176.000 -0.275 0.000 1.002 551 Q CA -0.135 55.465 55.803 -0.338 0.000 0.910 551 Q CB 0.845 29.399 28.738 -0.306 0.000 1.185 551 Q HN 0.840 nan 8.270 nan 0.000 0.401 552 S N 2.413 117.970 115.700 -0.239 0.000 2.646 552 S HA 0.917 5.682 4.470 0.493 0.000 0.276 552 S C 0.396 175.081 174.600 0.142 0.000 1.222 552 S CA -0.085 58.124 58.200 0.015 0.000 1.014 552 S CB 1.464 64.838 63.200 0.291 0.000 0.991 552 S HN 1.164 nan 8.310 nan 0.000 0.533 553 G N 0.516 109.429 108.800 0.190 0.000 2.627 553 G HA2 -0.025 4.231 3.960 0.493 0.000 0.214 553 G HA3 -0.025 4.231 3.960 0.493 0.000 0.214 553 G C -1.393 173.200 174.900 -0.512 0.000 1.331 553 G CA -0.432 44.421 45.100 -0.412 0.000 0.891 553 G HN 0.940 nan 8.290 nan 0.000 0.539 554 Y N -2.225 118.026 120.300 -0.082 0.000 2.605 554 Y HA 0.595 5.440 4.550 0.491 0.000 0.343 554 Y C 0.926 176.904 175.900 0.129 0.000 1.036 554 Y CA -0.360 57.779 58.100 0.065 0.000 1.065 554 Y CB 1.401 39.889 38.460 0.047 0.000 1.288 554 Y HN 0.673 nan 8.280 nan 0.000 0.481 555 Y N 0.918 121.367 120.300 0.248 0.000 2.133 555 Y HA -0.179 4.664 4.550 0.488 0.000 0.287 555 Y C 1.794 177.813 175.900 0.197 0.000 1.134 555 Y CA 2.087 60.318 58.100 0.219 0.000 1.133 555 Y CB -0.254 38.354 38.460 0.246 0.000 0.987 555 Y HN 0.559 nan 8.280 nan 0.000 0.502 556 V N -1.725 118.301 119.914 0.186 0.000 0.639 556 V HA -0.411 4.005 4.120 0.493 0.000 0.092 556 V C 0.279 176.317 176.094 -0.094 0.000 1.425 556 V CA 1.984 64.301 62.300 0.028 0.000 3.259 556 V CB -2.153 29.663 31.823 -0.012 0.000 0.513 556 V HN 1.002 nan 8.190 nan 0.000 0.516 557 A N -1.780 120.832 122.820 -0.348 0.000 2.590 557 A HA 0.670 5.285 4.320 0.493 0.000 0.294 557 A C -1.168 176.057 177.584 -0.598 0.000 1.046 557 A CA 0.011 51.819 52.037 -0.382 0.000 0.684 557 A CB 0.735 19.644 19.000 -0.152 0.000 1.279 557 A HN 1.341 nan 8.150 nan 0.000 0.415 558 F N 1.890 121.431 119.950 -0.682 0.000 2.578 558 F HA 0.325 5.159 4.527 0.511 0.000 0.376 558 F C 1.118 176.603 175.800 -0.526 0.000 1.085 558 F CA 1.755 59.303 58.000 -0.754 0.000 1.260 558 F CB 0.080 38.813 39.000 -0.445 0.000 1.095 558 F HN 0.805 nan 8.300 nan 0.000 0.573 559 N N 1.258 119.461 118.700 -0.827 0.000 2.776 559 N HA -0.223 4.813 4.740 0.493 0.000 0.250 559 N C -0.596 174.786 175.510 -0.213 0.000 1.112 559 N CA 0.944 53.783 53.050 -0.352 0.000 0.733 559 N CB -1.119 37.270 38.487 -0.164 0.000 1.097 559 N HN 0.634 nan 8.380 nan 0.000 0.558 560 S N -1.690 113.885 115.700 -0.209 0.000 2.686 560 S HA 0.309 5.075 4.470 0.493 0.000 0.270 560 S C 1.149 175.705 174.600 -0.074 0.000 1.194 560 S CA -0.616 57.510 58.200 -0.124 0.000 0.990 560 S CB 1.446 64.573 63.200 -0.122 0.000 1.029 560 S HN 0.238 nan 8.310 nan 0.000 0.560 561 Q N -0.764 119.005 119.800 -0.052 0.000 2.137 561 Q HA -0.053 4.583 4.340 0.493 0.000 0.198 561 Q C 1.948 177.941 176.000 -0.013 0.000 0.960 561 Q CA 1.097 56.883 55.803 -0.030 0.000 0.847 561 Q CB -0.326 28.404 28.738 -0.013 0.000 0.915 561 Q HN 0.794 nan 8.270 nan 0.000 0.448 562 M N -0.163 119.430 119.600 -0.011 0.000 2.149 562 M HA -0.203 4.573 4.480 0.493 0.000 0.261 562 M C 1.752 178.042 176.300 -0.017 0.000 1.064 562 M CA 1.808 57.096 55.300 -0.019 0.000 1.102 562 M CB -0.261 32.317 32.600 -0.036 0.000 1.369 562 M HN 0.207 nan 8.290 nan 0.000 0.408 563 H N -0.451 118.523 119.070 -0.160 0.000 2.268 563 H HA -0.000 4.851 4.556 0.492 0.000 0.304 563 H C 1.668 176.848 175.328 -0.247 0.000 1.064 563 H CA 2.519 58.425 56.048 -0.238 0.000 1.316 563 H CB -0.273 29.272 29.762 -0.363 0.000 1.386 563 H HN 0.407 nan 8.280 nan 0.000 0.496 564 L N -0.544 120.557 121.223 -0.204 0.000 2.072 564 L HA -0.038 4.597 4.340 0.493 0.000 0.205 564 L C 1.384 178.127 176.870 -0.212 0.000 1.079 564 L CA 1.577 56.270 54.840 -0.246 0.000 0.752 564 L CB -0.187 41.788 42.059 -0.140 0.000 0.906 564 L HN 0.341 nan 8.230 nan 0.000 0.436 565 N N -2.345 116.287 118.700 -0.113 0.000 2.254 565 N HA -0.054 4.981 4.740 0.493 0.000 0.190 565 N C 1.078 176.615 175.510 0.046 0.000 1.107 565 N CA -0.053 52.968 53.050 -0.049 0.000 0.869 565 N CB 0.432 38.921 38.487 0.002 0.000 0.983 565 N HN 0.369 nan 8.380 nan 0.000 0.487 566 W N 1.159 122.318 121.300 -0.235 0.000 3.905 566 W HA 0.215 5.170 4.660 0.492 0.000 0.209 566 W C 1.399 177.705 176.519 -0.356 0.000 1.208 566 W CA -0.005 57.187 57.345 -0.256 0.000 2.556 566 W CB -0.142 29.159 29.460 -0.265 0.000 1.262 566 W HN -0.216 nan 8.180 nan 0.000 0.652 567 R N 0.678 120.980 120.500 -0.330 0.000 2.127 567 R HA -0.143 4.493 4.340 0.493 0.000 0.238 567 R C 2.159 177.872 176.300 -0.979 0.000 1.134 567 R CA 1.434 57.168 56.100 -0.610 0.000 0.975 567 R CB -0.263 29.780 30.300 -0.428 0.000 0.865 567 R HN 0.197 nan 8.270 nan 0.000 0.447 568 R N 0.061 120.072 120.500 -0.815 0.000 2.115 568 R HA -0.008 4.628 4.340 0.493 0.000 0.226 568 R C 0.535 176.548 176.300 -0.479 0.000 1.100 568 R CA 0.623 56.306 56.100 -0.696 0.000 0.980 568 R CB 0.105 30.084 30.300 -0.535 0.000 0.875 568 R HN 0.168 nan 8.270 nan 0.000 0.445 569 Q N -0.020 119.493 119.800 -0.478 0.000 2.354 569 Q HA 0.073 4.709 4.340 0.493 0.000 0.244 569 Q C 1.138 176.868 176.000 -0.449 0.000 0.969 569 Q CA 0.265 55.823 55.803 -0.408 0.000 0.885 569 Q CB 1.034 29.561 28.738 -0.351 0.000 1.241 569 Q HN 0.028 nan 8.270 nan 0.000 0.461 570 T N 1.289 115.630 114.554 -0.354 0.000 2.788 570 T HA -0.189 4.457 4.350 0.493 0.000 0.268 570 T C 1.470 175.950 174.700 -0.367 0.000 1.044 570 T CA 1.708 63.616 62.100 -0.320 0.000 1.139 570 T CB -0.084 68.640 68.868 -0.239 0.000 0.867 570 T HN 0.637 nan 8.240 nan 0.000 0.454 571 R N 2.046 122.305 120.500 -0.401 0.000 2.355 571 R HA -0.011 4.624 4.340 0.493 0.000 0.219 571 R C 1.892 177.690 176.300 -0.836 0.000 1.107 571 R CA 1.501 57.336 56.100 -0.443 0.000 1.021 571 R CB -0.573 29.548 30.300 -0.298 0.000 0.852 571 R HN 0.482 nan 8.270 nan 0.000 0.475 572 S N -1.043 113.958 115.700 -1.164 0.000 2.540 572 S HA 0.238 5.003 4.470 0.493 0.000 0.218 572 S C 0.049 173.928 174.600 -1.201 0.000 0.977 572 S CA -0.680 56.561 58.200 -1.599 0.000 0.918 572 S CB 0.309 62.311 63.200 -1.996 0.000 0.806 572 S HN 0.053 nan 8.310 nan 0.000 0.496 573 K N 2.159 122.152 120.400 -0.677 0.000 2.211 573 K HA 0.368 4.984 4.320 0.493 0.000 0.237 573 K C -0.855 175.624 176.600 -0.201 0.000 1.002 573 K CA -0.641 55.378 56.287 -0.447 0.000 0.885 573 K CB 0.332 32.660 32.500 -0.287 0.000 1.136 573 K HN 0.216 nan 8.250 nan 0.000 0.448 574 N N 0.544 119.073 118.700 -0.286 0.000 2.807 574 N HA 0.338 5.373 4.740 0.493 0.000 0.259 574 N C -0.770 174.543 175.510 -0.327 0.000 1.149 574 N CA -0.265 52.519 53.050 -0.443 0.000 1.042 574 N CB 0.475 38.303 38.487 -1.097 0.000 1.367 574 N HN 0.497 nan 8.380 nan 0.000 0.516 575 A N 0.355 123.011 122.820 -0.274 0.000 2.581 575 A HA 0.580 5.196 4.320 0.493 0.000 0.290 575 A C -0.581 176.906 177.584 -0.161 0.000 1.119 575 A CA -0.789 51.158 52.037 -0.150 0.000 0.670 575 A CB 0.544 19.505 19.000 -0.065 0.000 1.280 575 A HN 0.177 nan 8.150 nan 0.000 0.425 576 V N -1.068 118.831 119.914 -0.025 0.000 2.743 576 V HA 0.801 5.217 4.120 0.493 0.000 0.301 576 V C -0.197 175.952 176.094 0.091 0.000 1.057 576 V CA -0.642 61.659 62.300 0.002 0.000 1.006 576 V CB 0.808 32.627 31.823 -0.007 0.000 1.024 576 V HN 0.735 nan 8.190 nan 0.000 0.473 577 L N 3.409 124.668 121.223 0.059 0.000 2.334 577 L HA 0.641 5.276 4.340 0.493 0.000 0.273 577 L C -0.672 176.220 176.870 0.037 0.000 1.013 577 L CA -0.578 54.325 54.840 0.106 0.000 0.816 577 L CB 2.044 44.142 42.059 0.066 0.000 1.278 577 L HN 0.572 nan 8.230 nan 0.000 0.431 578 I N 1.442 122.058 120.570 0.075 0.000 2.410 578 I HA 0.349 4.814 4.170 0.493 0.000 0.286 578 I C 0.760 176.915 176.117 0.062 0.000 1.009 578 I CA -0.290 61.024 61.300 0.022 0.000 1.111 578 I CB 1.750 39.736 38.000 -0.023 0.000 1.262 578 I HN 0.836 nan 8.210 nan 0.000 0.443 579 G N 4.351 113.179 108.800 0.047 0.000 2.305 579 G HA2 -0.157 4.099 3.960 0.493 0.000 0.287 579 G HA3 -0.157 4.099 3.960 0.493 0.000 0.287 579 G C 1.007 175.939 174.900 0.054 0.000 1.036 579 G CA 0.567 45.700 45.100 0.055 0.000 0.887 579 G HN 1.516 nan 8.290 nan 0.000 0.505 580 G N -1.546 107.284 108.800 0.050 0.000 2.187 580 G HA2 -0.310 3.945 3.960 0.493 0.000 0.261 580 G HA3 -0.310 3.945 3.960 0.493 0.000 0.261 580 G C 0.342 175.274 174.900 0.053 0.000 1.000 580 G CA 1.311 46.441 45.100 0.050 0.000 0.718 580 G HN 1.016 nan 8.290 nan 0.000 0.519 581 K N -0.101 120.344 120.400 0.074 0.000 2.259 581 K HA 0.636 5.251 4.320 0.493 0.000 0.249 581 K C 0.609 177.275 176.600 0.109 0.000 0.942 581 K CA -0.214 56.118 56.287 0.076 0.000 0.816 581 K CB 2.126 34.676 32.500 0.083 0.000 1.155 581 K HN 0.222 nan 8.250 nan 0.000 0.428 582 G N 0.661 109.475 108.800 0.023 0.000 2.887 582 G HA2 0.279 4.535 3.960 0.493 0.000 0.277 582 G HA3 0.279 4.535 3.960 0.493 0.000 0.277 582 G C -1.011 173.753 174.900 -0.228 0.000 1.346 582 G CA -0.668 44.385 45.100 -0.079 0.000 1.058 582 G HN 0.547 nan 8.290 nan 0.000 0.535 583 Q N -0.666 118.862 119.800 -0.454 0.000 2.293 583 Q HA 0.266 4.901 4.340 0.493 0.000 0.251 583 Q C -1.022 174.862 176.000 -0.193 0.000 0.930 583 Q CA -0.694 54.858 55.803 -0.418 0.000 0.893 583 Q CB 1.582 29.969 28.738 -0.585 0.000 1.215 583 Q HN 0.530 nan 8.270 nan 0.000 0.425 584 Y N 1.516 121.701 120.300 -0.191 0.000 2.802 584 Y HA 0.077 4.920 4.550 0.490 0.000 0.333 584 Y C 0.023 175.848 175.900 -0.125 0.000 1.244 584 Y CA 0.611 58.634 58.100 -0.128 0.000 1.558 584 Y CB 0.327 38.733 38.460 -0.090 0.000 1.233 584 Y HN 0.766 nan 8.280 nan 0.000 0.547 585 A N 5.516 127.895 122.820 -0.734 0.000 2.594 585 A HA 0.309 4.924 4.320 0.493 0.000 0.292 585 A C -0.173 177.023 177.584 -0.647 0.000 1.026 585 A CA -0.577 51.120 52.037 -0.568 0.000 0.983 585 A CB -0.120 18.666 19.000 -0.357 0.000 1.233 585 A HN 0.638 nan 8.150 nan 0.000 0.519 586 E N 0.749 120.271 120.200 -1.129 0.000 2.330 586 E HA 0.216 4.862 4.350 0.493 0.000 0.256 586 E C 0.648 177.110 176.600 -0.231 0.000 1.146 586 E CA -0.615 55.445 56.400 -0.566 0.000 0.945 586 E CB 0.432 29.904 29.700 -0.381 0.000 1.182 586 E HN 0.294 nan 8.360 nan 0.000 0.480 587 K N 0.275 120.649 120.400 -0.043 0.000 2.283 587 K HA -0.093 4.523 4.320 0.493 0.000 0.202 587 K C 0.259 176.932 176.600 0.121 0.000 1.048 587 K CA 0.448 56.762 56.287 0.046 0.000 0.948 587 K CB -0.252 32.275 32.500 0.044 0.000 0.742 587 K HN 0.279 nan 8.250 nan 0.000 0.458 588 D N 3.280 123.802 120.400 0.203 0.000 2.349 588 D HA -0.038 4.898 4.640 0.493 0.000 0.266 588 D C 0.862 177.273 176.300 0.185 0.000 1.293 588 D CA 0.073 54.180 54.000 0.178 0.000 0.926 588 D CB 0.936 41.825 40.800 0.148 0.000 1.090 588 D HN 0.332 nan 8.370 nan 0.000 0.502 589 K N 3.145 123.613 120.400 0.113 0.000 2.296 589 K HA 0.023 4.639 4.320 0.493 0.000 0.200 589 K C 1.605 178.226 176.600 0.035 0.000 1.048 589 K CA 0.642 56.986 56.287 0.094 0.000 0.966 589 K CB 0.098 32.654 32.500 0.092 0.000 0.754 589 K HN 0.230 nan 8.250 nan 0.000 0.466 590 A N 2.154 124.979 122.820 0.009 0.000 1.873 590 A HA -0.020 4.595 4.320 0.493 0.000 0.215 590 A C 2.192 179.735 177.584 -0.069 0.000 1.186 590 A CA 1.000 53.016 52.037 -0.035 0.000 0.616 590 A CB -0.647 18.334 19.000 -0.032 0.000 0.823 590 A HN 0.258 nan 8.150 nan 0.000 0.442 591 L N -0.718 120.439 121.223 -0.111 0.000 2.017 591 L HA -0.200 4.436 4.340 0.493 0.000 0.208 591 L C 3.157 179.971 176.870 -0.093 0.000 1.073 591 L CA 1.063 55.742 54.840 -0.269 0.000 0.745 591 L CB -0.618 40.990 42.059 -0.752 0.000 0.894 591 L HN 0.452 nan 8.230 nan 0.000 0.432 592 A N 0.442 123.355 122.820 0.155 0.000 1.873 592 A HA -0.312 4.304 4.320 0.493 0.000 0.218 592 A C 2.323 179.947 177.584 0.067 0.000 1.193 592 A CA 2.342 54.515 52.037 0.227 0.000 0.629 592 A CB -0.601 18.517 19.000 0.197 0.000 0.826 592 A HN 0.352 nan 8.150 nan 0.000 0.447 593 R N 0.021 120.516 120.500 -0.007 0.000 2.148 593 R HA -0.067 4.569 4.340 0.493 0.000 0.227 593 R C 2.181 178.429 176.300 -0.087 0.000 1.103 593 R CA 1.829 57.878 56.100 -0.086 0.000 0.983 593 R CB -0.529 29.654 30.300 -0.195 0.000 0.874 593 R HN 0.583 nan 8.270 nan 0.000 0.451 594 R N -0.118 120.338 120.500 -0.072 0.000 2.090 594 R HA 0.095 4.730 4.340 0.493 0.000 0.228 594 R C 0.584 176.857 176.300 -0.045 0.000 1.110 594 R CA 1.201 57.260 56.100 -0.069 0.000 0.973 594 R CB -0.345 29.904 30.300 -0.084 0.000 0.869 594 R HN 0.193 nan 8.270 nan 0.000 0.440 595 A N 0.989 123.794 122.820 -0.026 0.000 3.004 595 A HA 0.426 5.042 4.320 0.493 0.000 0.252 595 A C -0.077 177.493 177.584 -0.023 0.000 1.802 595 A CA 0.387 52.418 52.037 -0.010 0.000 1.424 595 A CB -0.792 18.236 19.000 0.047 0.000 1.005 595 A HN 0.494 nan 8.150 nan 0.000 0.631 596 A N -0.232 122.576 122.820 -0.021 0.000 2.288 596 A HA 0.903 5.519 4.320 0.493 0.000 0.328 596 A C 0.563 178.147 177.584 -0.001 0.000 1.123 596 A CA -0.028 51.998 52.037 -0.018 0.000 0.861 596 A CB 1.054 20.038 19.000 -0.026 0.000 1.272 596 A HN 1.068 nan 8.150 nan 0.000 0.490 597 G N -0.856 107.945 108.800 0.000 0.000 3.251 597 G HA2 0.780 5.036 3.960 0.493 0.000 0.248 597 G HA3 0.780 5.036 3.960 0.493 0.000 0.248 597 G C -0.792 174.135 174.900 0.044 0.000 1.320 597 G CA -0.552 44.563 45.100 0.025 0.000 0.982 597 G HN 1.296 nan 8.290 nan 0.000 0.575 598 R N -1.813 118.730 120.500 0.072 0.000 2.753 598 R HA 0.352 4.987 4.340 0.493 0.000 0.272 598 R C -1.484 174.902 176.300 0.143 0.000 1.034 598 R CA -0.959 55.200 56.100 0.098 0.000 0.869 598 R CB 0.612 30.961 30.300 0.082 0.000 1.264 598 R HN 0.312 nan 8.270 nan 0.000 0.481 599 I N 3.438 124.104 120.570 0.160 0.000 2.406 599 I HA 0.022 4.487 4.170 0.493 0.000 0.293 599 I C 1.509 177.694 176.117 0.114 0.000 1.101 599 I CA -0.189 61.216 61.300 0.175 0.000 1.334 599 I CB 0.793 38.900 38.000 0.179 0.000 1.421 599 I HN 0.629 nan 8.210 nan 0.000 0.513 600 V N 5.175 125.148 119.914 0.099 0.000 2.270 600 V HA -0.107 4.308 4.120 0.493 0.000 0.245 600 V C 1.020 177.146 176.094 0.053 0.000 1.043 600 V CA 1.578 63.922 62.300 0.072 0.000 1.014 600 V CB -0.403 31.461 31.823 0.068 0.000 0.645 600 V HN 0.919 nan 8.190 nan 0.000 0.447 601 S N -1.988 113.734 115.700 0.037 0.000 2.537 601 S HA 0.683 5.448 4.470 0.493 0.000 0.271 601 S C -1.329 173.269 174.600 -0.003 0.000 1.148 601 S CA -0.697 57.516 58.200 0.022 0.000 0.868 601 S CB 2.169 65.383 63.200 0.022 0.000 1.115 601 S HN -0.042 nan 8.310 nan 0.000 0.461 602 V N 1.580 121.492 119.914 -0.003 0.000 2.588 602 V HA 0.653 5.068 4.120 0.493 0.000 0.304 602 V C -0.725 175.355 176.094 -0.023 0.000 1.042 602 V CA -0.405 61.880 62.300 -0.025 0.000 0.877 602 V CB 1.600 33.415 31.823 -0.014 0.000 0.996 602 V HN 1.001 nan 8.190 nan 0.000 0.425 603 E N 2.863 123.037 120.200 -0.044 0.000 2.263 603 E HA 0.515 5.161 4.350 0.493 0.000 0.268 603 E C -1.127 175.434 176.600 -0.066 0.000 0.884 603 E CA -0.521 55.862 56.400 -0.028 0.000 0.766 603 E CB 2.804 32.511 29.700 0.011 0.000 1.196 603 E HN 0.733 nan 8.360 nan 0.000 0.416 604 E N 3.280 123.460 120.200 -0.034 0.000 2.234 604 E HA 0.321 4.966 4.350 0.493 0.000 0.266 604 E C -1.495 175.104 176.600 -0.002 0.000 0.877 604 E CA -0.481 55.894 56.400 -0.041 0.000 0.758 604 E CB 1.293 30.974 29.700 -0.032 0.000 1.170 604 E HN 0.485 nan 8.360 nan 0.000 0.415 605 Q N 2.297 122.102 119.800 0.008 0.000 2.482 605 Q HA 0.452 5.088 4.340 0.493 0.000 0.286 605 Q C -2.738 173.271 176.000 0.015 0.000 1.007 605 Q CA -2.372 53.450 55.803 0.032 0.000 0.801 605 Q CB 1.277 30.060 28.738 0.075 0.000 1.455 605 Q HN 0.308 nan 8.270 nan 0.000 0.398 606 P HA -0.013 nan 4.420 nan 0.000 0.257 606 P C 0.538 177.809 177.300 -0.048 0.000 1.162 606 P CA 2.004 65.090 63.100 -0.024 0.000 0.762 606 P CB 0.020 31.712 31.700 -0.014 0.000 0.753 607 G N 1.962 110.690 108.800 -0.120 0.000 2.225 607 G HA2 -0.261 3.995 3.960 0.493 0.000 0.267 607 G HA3 -0.261 3.995 3.960 0.493 0.000 0.267 607 G C -0.036 174.725 174.900 -0.231 0.000 1.024 607 G CA 0.520 45.480 45.100 -0.233 0.000 0.784 607 G HN 0.918 nan 8.290 nan 0.000 0.507 608 H N -1.843 117.064 119.070 -0.272 0.000 3.289 608 H HA 0.491 5.342 4.556 0.493 0.000 0.330 608 H C -0.757 174.505 175.328 -0.109 0.000 1.187 608 H CA -0.242 55.655 56.048 -0.252 0.000 1.601 608 H CB 0.757 30.447 29.762 -0.120 0.000 1.997 608 H HN 0.278 nan 8.280 nan 0.000 0.489 609 V N 5.236 124.904 119.914 -0.410 0.000 2.713 609 V HA 0.590 5.006 4.120 0.493 0.000 0.307 609 V C 0.056 175.877 176.094 -0.455 0.000 1.052 609 V CA -0.795 61.305 62.300 -0.334 0.000 0.967 609 V CB 1.763 33.548 31.823 -0.062 0.000 1.019 609 V HN 0.756 nan 8.190 nan 0.000 0.459 610 R N 3.111 123.405 120.500 -0.342 0.000 2.512 610 R HA 0.628 5.264 4.340 0.493 0.000 0.291 610 R C -2.141 174.019 176.300 -0.233 0.000 1.097 610 R CA -0.499 55.423 56.100 -0.297 0.000 0.940 610 R CB 1.289 31.503 30.300 -0.144 0.000 1.198 610 R HN 0.653 nan 8.270 nan 0.000 0.429 611 I N 4.002 124.388 120.570 -0.307 0.000 2.530 611 I HA 0.427 4.893 4.170 0.493 0.000 0.297 611 I C -0.616 175.276 176.117 -0.376 0.000 1.011 611 I CA -0.895 60.227 61.300 -0.297 0.000 1.107 611 I CB 2.290 40.080 38.000 -0.351 0.000 1.285 611 I HN 0.218 nan 8.210 nan 0.000 0.436 612 V N 4.127 123.904 119.914 -0.229 0.000 2.483 612 V HA 0.794 5.209 4.120 0.493 0.000 0.297 612 V C 0.235 176.318 176.094 -0.018 0.000 1.027 612 V CA -0.573 61.639 62.300 -0.146 0.000 0.855 612 V CB 1.517 33.309 31.823 -0.053 0.000 0.995 612 V HN 0.890 nan 8.190 nan 0.000 0.424 613 G N 1.731 110.581 108.800 0.083 0.000 2.452 613 G HA2 0.566 4.822 3.960 0.493 0.000 0.324 613 G HA3 0.566 4.822 3.960 0.493 0.000 0.324 613 G C -1.422 173.600 174.900 0.203 0.000 1.214 613 G CA -0.280 45.001 45.100 0.302 0.000 0.947 613 G HN 0.582 nan 8.290 nan 0.000 0.478 614 D N 1.588 122.085 120.400 0.161 0.000 2.427 614 D HA 0.452 5.388 4.640 0.493 0.000 0.226 614 D C 0.443 176.818 176.300 0.125 0.000 1.076 614 D CA -0.605 53.472 54.000 0.129 0.000 0.849 614 D CB 1.597 42.461 40.800 0.107 0.000 1.052 614 D HN 0.340 nan 8.370 nan 0.000 0.515 615 A N 3.264 126.172 122.820 0.148 0.000 2.610 615 A HA 0.183 4.798 4.320 0.493 0.000 0.286 615 A C 1.606 179.334 177.584 0.240 0.000 1.306 615 A CA -0.257 51.888 52.037 0.180 0.000 0.942 615 A CB 0.027 19.177 19.000 0.250 0.000 1.112 615 A HN 0.538 nan 8.150 nan 0.000 0.527 616 T N 0.579 115.231 114.554 0.165 0.000 2.635 616 T HA -0.199 4.446 4.350 0.493 0.000 0.267 616 T C 2.345 177.137 174.700 0.153 0.000 1.040 616 T CA 2.055 64.248 62.100 0.155 0.000 1.156 616 T CB -0.279 68.657 68.868 0.114 0.000 0.863 616 T HN 0.665 nan 8.240 nan 0.000 0.430 617 A N 1.559 124.440 122.820 0.102 0.000 1.908 617 A HA 0.051 4.667 4.320 0.493 0.000 0.218 617 A C 2.687 180.305 177.584 0.057 0.000 1.181 617 A CA 2.120 54.195 52.037 0.064 0.000 0.627 617 A CB -1.264 17.754 19.000 0.031 0.000 0.818 617 A HN 0.538 nan 8.150 nan 0.000 0.445 618 A N -1.524 121.327 122.820 0.052 0.000 1.917 618 A HA -0.162 4.453 4.320 0.493 0.000 0.219 618 A C 2.092 179.606 177.584 -0.117 0.000 1.182 618 A CA 1.814 53.820 52.037 -0.051 0.000 0.633 618 A CB -0.789 18.141 19.000 -0.117 0.000 0.819 618 A HN 0.652 nan 8.150 nan 0.000 0.448 619 Y N -1.055 119.254 120.300 0.016 0.000 2.420 619 Y HA -0.037 4.810 4.550 0.495 0.000 0.292 619 Y C 2.664 178.580 175.900 0.027 0.000 1.119 619 Y CA 1.239 59.351 58.100 0.021 0.000 1.229 619 Y CB -0.168 38.307 38.460 0.024 0.000 1.026 619 Y HN 0.359 nan 8.280 nan 0.000 0.554 620 Q N -0.297 119.600 119.800 0.162 0.000 2.124 620 Q HA -0.162 4.473 4.340 0.493 0.000 0.202 620 Q C 2.283 178.313 176.000 0.049 0.000 0.977 620 Q CA 1.580 57.441 55.803 0.097 0.000 0.850 620 Q CB -0.164 28.618 28.738 0.074 0.000 0.901 620 Q HN 0.312 nan 8.270 nan 0.000 0.429 621 V N 0.334 120.261 119.914 0.020 0.000 2.380 621 V HA -0.291 4.124 4.120 0.493 0.000 0.251 621 V C 1.873 177.960 176.094 -0.012 0.000 1.063 621 V CA 1.976 64.258 62.300 -0.031 0.000 1.055 621 V CB -0.575 31.203 31.823 -0.075 0.000 0.657 621 V HN 0.419 nan 8.190 nan 0.000 0.455 622 A N -1.066 121.778 122.820 0.040 0.000 2.348 622 A HA 0.239 4.855 4.320 0.493 0.000 0.224 622 A C 0.833 178.453 177.584 0.059 0.000 1.227 622 A CA 0.271 52.344 52.037 0.059 0.000 0.885 622 A CB -0.054 18.995 19.000 0.082 0.000 0.933 622 A HN 0.499 nan 8.150 nan 0.000 0.506 623 N N -0.461 118.279 118.700 0.067 0.000 2.664 623 N HA 0.291 5.327 4.740 0.493 0.000 0.268 623 N C -2.977 172.574 175.510 0.068 0.000 1.222 623 N CA -1.464 51.630 53.050 0.074 0.000 0.805 623 N CB 1.629 40.179 38.487 0.106 0.000 1.399 623 N HN -0.201 nan 8.380 nan 0.000 0.547 624 P HA 0.093 nan 4.420 nan 0.000 0.234 624 P C 1.086 178.414 177.300 0.046 0.000 1.167 624 P CA 0.554 63.679 63.100 0.041 0.000 0.763 624 P CB 0.409 32.126 31.700 0.029 0.000 0.835 625 L N -1.937 119.318 121.223 0.054 0.000 2.341 625 L HA 0.027 4.662 4.340 0.493 0.000 0.214 625 L C 0.866 177.774 176.870 0.064 0.000 1.115 625 L CA 0.193 55.066 54.840 0.054 0.000 0.820 625 L CB -0.353 41.739 42.059 0.055 0.000 0.944 625 L HN -0.209 nan 8.230 nan 0.000 0.452 626 V N 0.345 120.304 119.914 0.076 0.000 2.686 626 V HA -0.004 4.412 4.120 0.493 0.000 0.295 626 V C 0.688 176.830 176.094 0.080 0.000 1.055 626 V CA 0.364 62.715 62.300 0.085 0.000 1.050 626 V CB 1.457 33.344 31.823 0.108 0.000 0.984 626 V HN 0.356 nan 8.190 nan 0.000 0.482 627 Q N 2.207 122.058 119.800 0.085 0.000 2.384 627 Q HA 0.319 4.955 4.340 0.493 0.000 0.264 627 Q C 0.144 176.203 176.000 0.100 0.000 0.825 627 Q CA 0.017 55.868 55.803 0.080 0.000 0.984 627 Q CB 1.047 29.823 28.738 0.063 0.000 1.183 627 Q HN 0.438 nan 8.270 nan 0.000 0.537 628 K N 1.063 121.542 120.400 0.132 0.000 2.581 628 K HA 0.423 5.038 4.320 0.493 0.000 0.249 628 K C -1.829 174.867 176.600 0.159 0.000 0.966 628 K CA -0.340 56.052 56.287 0.176 0.000 0.811 628 K CB 2.527 35.186 32.500 0.265 0.000 1.223 628 K HN -0.146 nan 8.250 nan 0.000 0.438 629 V N 5.856 125.833 119.914 0.105 0.000 2.398 629 V HA 0.443 4.859 4.120 0.493 0.000 0.282 629 V C -0.480 175.641 176.094 0.044 0.000 1.014 629 V CA -0.730 61.582 62.300 0.020 0.000 0.838 629 V CB 1.375 33.151 31.823 -0.080 0.000 1.018 629 V HN 0.558 nan 8.190 nan 0.000 0.432 630 L N 4.718 125.942 121.223 0.002 0.000 2.346 630 L HA 0.721 5.357 4.340 0.493 0.000 0.276 630 L C -0.101 176.776 176.870 0.010 0.000 1.006 630 L CA -0.621 54.227 54.840 0.015 0.000 0.817 630 L CB 2.266 44.315 42.059 -0.017 0.000 1.272 630 L HN 0.544 nan 8.230 nan 0.000 0.421 631 R N 2.206 122.752 120.500 0.077 0.000 2.534 631 R HA 0.459 5.095 4.340 0.493 0.000 0.301 631 R C -1.117 175.172 176.300 -0.019 0.000 0.961 631 R CA -0.509 55.645 56.100 0.091 0.000 0.871 631 R CB 1.668 32.109 30.300 0.236 0.000 1.170 631 R HN 0.610 nan 8.270 nan 0.000 0.446 632 E N 1.985 122.146 120.200 -0.065 0.000 2.179 632 E HA 0.243 4.888 4.350 0.493 0.000 0.275 632 E C -0.919 175.519 176.600 -0.271 0.000 0.945 632 E CA -0.760 55.510 56.400 -0.216 0.000 0.792 632 E CB 2.166 31.764 29.700 -0.169 0.000 1.125 632 E HN 0.642 nan 8.360 nan 0.000 0.397 633 T N 0.078 114.367 114.554 -0.440 0.000 2.812 633 T HA 0.445 5.091 4.350 0.493 0.000 0.282 633 T C -0.745 173.716 174.700 -0.398 0.000 0.990 633 T CA -0.882 61.026 62.100 -0.320 0.000 0.960 633 T CB 0.696 69.432 68.868 -0.219 0.000 0.948 633 T HN 0.393 nan 8.240 nan 0.000 0.438 634 H N 1.824 120.864 119.070 -0.050 0.000 2.511 634 H HA 0.492 5.344 4.556 0.493 0.000 0.328 634 H C -1.251 173.945 175.328 -0.220 0.000 1.044 634 H CA -0.760 55.215 56.048 -0.122 0.000 1.212 634 H CB 1.096 30.825 29.762 -0.055 0.000 1.428 634 H HN 0.594 nan 8.280 nan 0.000 0.483 635 F N 5.139 124.829 119.950 -0.434 0.000 2.313 635 F HA 0.310 5.133 4.527 0.494 0.000 0.369 635 F C -0.909 174.446 175.800 -0.741 0.000 1.109 635 F CA -1.089 56.441 58.000 -0.784 0.000 1.132 635 F CB 0.135 38.757 39.000 -0.630 0.000 1.291 635 F HN 0.234 nan 8.300 nan 0.000 0.496 636 V N 6.183 125.361 119.914 -1.226 0.000 2.383 636 V HA 0.185 4.601 4.120 0.493 0.000 0.275 636 V C 0.451 175.773 176.094 -1.287 0.000 1.036 636 V CA -0.942 60.542 62.300 -1.360 0.000 0.889 636 V CB 0.898 31.581 31.823 -1.901 0.000 0.985 636 V HN 0.784 nan 8.190 nan 0.000 0.459 637 N N 3.992 122.172 118.700 -0.867 0.000 2.699 637 N HA -0.204 4.831 4.740 0.493 0.000 0.256 637 N C 0.030 175.129 175.510 -0.685 0.000 0.993 637 N CA 0.909 53.603 53.050 -0.593 0.000 0.759 637 N CB -1.074 37.207 38.487 -0.343 0.000 0.906 637 N HN 0.863 nan 8.380 nan 0.000 0.541 638 D N -1.414 118.336 120.400 -1.084 0.000 2.745 638 D HA -0.211 4.725 4.640 0.493 0.000 0.225 638 D C 0.747 176.725 176.300 -0.536 0.000 1.212 638 D CA 1.352 54.746 54.000 -1.010 0.000 0.632 638 D CB -1.169 39.436 40.800 -0.324 0.000 0.994 638 D HN 0.565 nan 8.370 nan 0.000 0.407 639 S N -1.588 113.722 115.700 -0.650 0.000 3.369 639 S HA 0.135 4.900 4.470 0.493 0.000 0.251 639 S C -0.245 174.324 174.600 -0.052 0.000 1.093 639 S CA 0.229 58.333 58.200 -0.160 0.000 0.952 639 S CB 0.340 63.531 63.200 -0.015 0.000 0.965 639 S HN 0.380 nan 8.310 nan 0.000 0.436 640 Y N -0.477 119.567 120.300 -0.425 0.000 2.677 640 Y HA 0.842 5.688 4.550 0.493 0.000 0.334 640 Y C -1.645 173.881 175.900 -0.624 0.000 1.154 640 Y CA -1.737 56.151 58.100 -0.354 0.000 1.070 640 Y CB 0.582 38.911 38.460 -0.218 0.000 1.294 640 Y HN 0.029 nan 8.280 nan 0.000 0.475 641 F N 0.633 120.594 119.950 0.019 0.000 2.540 641 F HA 0.682 5.505 4.527 0.493 0.000 0.317 641 F C -0.942 174.804 175.800 -0.091 0.000 1.104 641 F CA -1.182 56.746 58.000 -0.121 0.000 0.913 641 F CB 2.440 41.340 39.000 -0.167 0.000 1.170 641 F HN 0.353 nan 8.300 nan 0.000 0.450 642 V N 4.766 124.722 119.914 0.071 0.000 2.409 642 V HA 0.459 4.875 4.120 0.493 0.000 0.291 642 V C -0.298 175.911 176.094 0.191 0.000 1.020 642 V CA -0.662 61.686 62.300 0.080 0.000 0.848 642 V CB 1.673 33.501 31.823 0.008 0.000 0.990 642 V HN 0.545 nan 8.190 nan 0.000 0.430 643 I N 5.231 125.899 120.570 0.163 0.000 2.362 643 I HA 0.461 4.926 4.170 0.493 0.000 0.289 643 I C -0.525 175.717 176.117 0.208 0.000 0.994 643 I CA -0.710 60.687 61.300 0.162 0.000 1.158 643 I CB 1.973 40.086 38.000 0.188 0.000 1.315 643 I HN 0.305 nan 8.210 nan 0.000 0.451 644 V N 5.040 125.056 119.914 0.170 0.000 2.347 644 V HA 0.358 4.774 4.120 0.493 0.000 0.280 644 V C -0.547 175.617 176.094 0.117 0.000 1.021 644 V CA -0.704 61.689 62.300 0.155 0.000 0.847 644 V CB 1.318 33.226 31.823 0.141 0.000 0.990 644 V HN 0.563 nan 8.190 nan 0.000 0.444 645 D N 4.053 124.534 120.400 0.135 0.000 2.256 645 D HA 0.479 5.415 4.640 0.493 0.000 0.240 645 D C -0.313 175.960 176.300 -0.044 0.000 1.062 645 D CA -0.226 53.827 54.000 0.087 0.000 0.832 645 D CB 2.348 43.265 40.800 0.196 0.000 1.135 645 D HN 0.615 nan 8.370 nan 0.000 0.484 646 E N 1.116 121.195 120.200 -0.202 0.000 2.220 646 E HA 0.409 5.055 4.350 0.493 0.000 0.256 646 E C -1.068 175.328 176.600 -0.340 0.000 0.881 646 E CA -0.665 55.394 56.400 -0.568 0.000 0.766 646 E CB 2.210 31.152 29.700 -1.264 0.000 1.187 646 E HN 0.067 nan 8.360 nan 0.000 0.419 647 V N 3.098 122.992 119.914 -0.033 0.000 2.487 647 V HA 0.320 4.736 4.120 0.493 0.000 0.298 647 V C -0.391 175.931 176.094 0.380 0.000 1.028 647 V CA -0.711 61.688 62.300 0.164 0.000 0.860 647 V CB 1.800 33.688 31.823 0.108 0.000 0.991 647 V HN 0.636 nan 8.190 nan 0.000 0.427 648 E N 3.137 123.561 120.200 0.372 0.000 2.187 648 E HA 0.628 5.274 4.350 0.493 0.000 0.268 648 E C -1.218 175.472 176.600 0.150 0.000 0.896 648 E CA -0.315 56.238 56.400 0.255 0.000 0.766 648 E CB 1.622 31.426 29.700 0.174 0.000 1.142 648 E HN 0.790 nan 8.360 nan 0.000 0.408 649 C N 1.428 120.795 119.300 0.112 0.000 2.871 649 C HA 0.354 5.109 4.460 0.493 0.000 0.351 649 C C 1.486 176.508 174.990 0.053 0.000 1.338 649 C CA -0.428 58.639 59.018 0.082 0.000 1.686 649 C CB 1.469 29.262 27.740 0.089 0.000 2.135 649 C HN 0.922 nan 8.230 nan 0.000 0.476 650 S N -0.635 115.092 115.700 0.046 0.000 2.593 650 S HA 0.198 4.964 4.470 0.493 0.000 0.217 650 S C 0.004 174.621 174.600 0.028 0.000 0.966 650 S CA 0.301 58.520 58.200 0.031 0.000 0.914 650 S CB -0.222 62.996 63.200 0.029 0.000 0.776 650 S HN 0.825 nan 8.310 nan 0.000 0.523 651 E N 0.487 120.708 120.200 0.035 0.000 2.388 651 E HA 0.321 4.967 4.350 0.493 0.000 0.280 651 E C -3.232 173.391 176.600 0.038 0.000 1.019 651 E CA -2.472 53.947 56.400 0.031 0.000 0.806 651 E CB 1.724 31.444 29.700 0.033 0.000 1.246 651 E HN -0.042 nan 8.360 nan 0.000 0.443 652 P HA -0.103 nan 4.420 nan 0.000 0.258 652 P C -1.139 176.202 177.300 0.067 0.000 1.172 652 P CA 0.705 63.827 63.100 0.037 0.000 0.762 652 P CB 0.345 32.061 31.700 0.026 0.000 0.764 653 Q N 2.205 122.071 119.800 0.111 0.000 2.304 653 Q HA 0.214 4.849 4.340 0.493 0.000 0.270 653 Q C -0.272 175.847 176.000 0.198 0.000 1.035 653 Q CA -0.747 55.133 55.803 0.129 0.000 0.781 653 Q CB 2.235 31.044 28.738 0.118 0.000 1.261 653 Q HN 0.448 nan 8.270 nan 0.000 0.444 654 E N 1.621 121.894 120.200 0.122 0.000 2.481 654 E HA 0.078 4.724 4.350 0.493 0.000 0.263 654 E C -0.968 175.630 176.600 -0.002 0.000 0.992 654 E CA 0.031 56.484 56.400 0.089 0.000 0.938 654 E CB 0.518 30.249 29.700 0.051 0.000 0.933 654 E HN 0.317 nan 8.360 nan 0.000 0.453 655 L N 3.443 124.582 121.223 -0.139 0.000 2.346 655 L HA 0.351 4.987 4.340 0.493 0.000 0.274 655 L C -1.328 175.472 176.870 -0.116 0.000 1.007 655 L CA -0.140 54.532 54.840 -0.279 0.000 0.818 655 L CB 1.697 43.297 42.059 -0.765 0.000 1.284 655 L HN 0.555 nan 8.230 nan 0.000 0.424 656 Q N 4.059 123.833 119.800 -0.043 0.000 2.304 656 Q HA 0.261 4.896 4.340 0.493 0.000 0.270 656 Q C -1.982 174.087 176.000 0.114 0.000 1.035 656 Q CA -0.391 55.431 55.803 0.032 0.000 0.781 656 Q CB 2.319 31.078 28.738 0.036 0.000 1.261 656 Q HN 0.740 nan 8.270 nan 0.000 0.444 657 W N 5.106 126.380 121.300 -0.043 0.000 2.429 657 W HA 0.564 5.521 4.660 0.494 0.000 0.314 657 W C -1.626 174.934 176.519 0.068 0.000 1.062 657 W CA -0.400 56.971 57.345 0.044 0.000 1.211 657 W CB 0.774 30.278 29.460 0.073 0.000 1.305 657 W HN 0.493 nan 8.180 nan 0.000 0.476 658 L N 7.259 128.288 121.223 -0.323 0.000 2.365 658 L HA 0.655 5.291 4.340 0.493 0.000 0.273 658 L C -0.630 175.903 176.870 -0.560 0.000 1.000 658 L CA -0.937 53.731 54.840 -0.287 0.000 0.819 658 L CB 1.680 43.628 42.059 -0.184 0.000 1.284 658 L HN 0.382 nan 8.230 nan 0.000 0.418 659 C N 1.905 120.988 119.300 -0.361 0.000 2.783 659 C HA 0.570 5.325 4.460 0.493 0.000 0.312 659 C C -0.821 174.041 174.990 -0.214 0.000 1.182 659 C CA -0.331 58.559 59.018 -0.214 0.000 1.432 659 C CB 1.526 29.365 27.740 0.164 0.000 1.933 659 C HN 0.787 nan 8.230 nan 0.000 0.473 660 H N 2.748 121.796 119.070 -0.037 0.000 2.495 660 H HA 0.602 5.454 4.556 0.494 0.000 0.348 660 H C -0.155 175.141 175.328 -0.054 0.000 1.113 660 H CA -0.030 56.020 56.048 0.004 0.000 1.195 660 H CB 2.268 32.002 29.762 -0.046 0.000 1.521 660 H HN 0.819 nan 8.280 nan 0.000 0.509 661 T N -0.450 114.109 114.554 0.009 0.000 2.883 661 T HA 0.343 4.989 4.350 0.493 0.000 0.296 661 T C 1.139 175.755 174.700 -0.140 0.000 1.117 661 T CA -0.919 61.016 62.100 -0.275 0.000 1.006 661 T CB 1.448 69.854 68.868 -0.770 0.000 1.191 661 T HN 0.327 nan 8.240 nan 0.000 0.508 662 L N 0.778 121.910 121.223 -0.151 0.000 2.023 662 L HA 0.278 4.913 4.340 0.493 0.000 0.205 662 L C 1.883 178.943 176.870 0.316 0.000 1.073 662 L CA 1.428 56.353 54.840 0.143 0.000 0.745 662 L CB -0.723 41.461 42.059 0.209 0.000 0.900 662 L HN 0.930 nan 8.230 nan 0.000 0.435 663 G N -1.084 107.894 108.800 0.296 0.000 2.522 663 G HA2 0.537 4.792 3.960 0.493 0.000 0.304 663 G HA3 0.537 4.792 3.960 0.493 0.000 0.304 663 G C -0.633 174.223 174.900 -0.074 0.000 1.210 663 G CA -0.102 45.173 45.100 0.292 0.000 0.960 663 G HN 0.274 nan 8.290 nan 0.000 0.497 664 A N 1.003 123.545 122.820 -0.463 0.000 2.488 664 A HA 0.550 5.165 4.320 0.493 0.000 0.249 664 A C -2.002 175.545 177.584 -0.062 0.000 1.083 664 A CA -0.700 50.992 52.037 -0.576 0.000 0.768 664 A CB -0.008 18.708 19.000 -0.472 0.000 1.017 664 A HN 0.453 nan 8.150 nan 0.000 0.496 665 P HA 0.456 nan 4.420 nan 0.000 0.292 665 P C -1.086 176.265 177.300 0.085 0.000 1.283 665 P CA -0.545 62.627 63.100 0.120 0.000 0.835 665 P CB 1.121 32.894 31.700 0.122 0.000 1.017 666 Q N 0.587 120.453 119.800 0.110 0.000 2.235 666 Q HA 0.568 5.204 4.340 0.493 0.000 0.250 666 Q C 0.142 176.222 176.000 0.133 0.000 0.909 666 Q CA -0.073 55.780 55.803 0.083 0.000 0.910 666 Q CB 0.784 29.552 28.738 0.051 0.000 1.223 666 Q HN 0.477 nan 8.270 nan 0.000 0.432 667 T N -1.643 112.978 114.554 0.112 0.000 2.812 667 T HA 0.787 5.432 4.350 0.493 0.000 0.282 667 T C 0.220 174.990 174.700 0.117 0.000 0.990 667 T CA -0.717 61.477 62.100 0.156 0.000 0.960 667 T CB 1.442 70.390 68.868 0.133 0.000 0.948 667 T HN 0.558 nan 8.240 nan 0.000 0.438 668 G N 1.272 110.154 108.800 0.137 0.000 2.531 668 G HA2 0.365 4.621 3.960 0.493 0.000 0.281 668 G HA3 0.365 4.621 3.960 0.493 0.000 0.281 668 G C 0.646 175.613 174.900 0.111 0.000 1.382 668 G CA -0.877 44.279 45.100 0.094 0.000 1.045 668 G HN 0.833 nan 8.290 nan 0.000 0.533 669 R N -1.402 119.150 120.500 0.087 0.000 2.090 669 R HA 0.041 4.677 4.340 0.493 0.000 0.228 669 R C 1.025 177.402 176.300 0.128 0.000 1.110 669 R CA 1.512 57.664 56.100 0.087 0.000 0.973 669 R CB -0.100 30.236 30.300 0.060 0.000 0.869 669 R HN 0.349 nan 8.270 nan 0.000 0.440 670 S N -0.049 115.744 115.700 0.156 0.000 2.901 670 S HA 0.194 4.959 4.470 0.493 0.000 0.248 670 S C -1.285 173.475 174.600 0.267 0.000 1.021 670 S CA -0.274 58.074 58.200 0.247 0.000 1.090 670 S CB 0.416 63.728 63.200 0.186 0.000 1.039 670 S HN 0.469 nan 8.310 nan 0.000 0.514 671 S N 0.563 116.410 115.700 0.245 0.000 2.672 671 S HA 0.892 5.657 4.470 0.493 0.000 0.271 671 S C -1.139 173.640 174.600 0.298 0.000 1.171 671 S CA -0.912 57.372 58.200 0.139 0.000 0.817 671 S CB 1.540 64.748 63.200 0.013 0.000 1.150 671 S HN 0.527 nan 8.310 nan 0.000 0.478 672 F N -1.276 118.695 119.950 0.035 0.000 2.662 672 F HA 0.885 5.707 4.527 0.493 0.000 0.312 672 F C -0.859 174.949 175.800 0.014 0.000 1.113 672 F CA -1.106 56.921 58.000 0.045 0.000 0.951 672 F CB 1.656 40.709 39.000 0.089 0.000 1.344 672 F HN 0.903 nan 8.300 nan 0.000 0.462 673 R N 1.937 122.481 120.500 0.073 0.000 2.522 673 R HA 0.456 5.092 4.340 0.493 0.000 0.283 673 R C -2.560 173.770 176.300 0.050 0.000 1.074 673 R CA -0.767 55.310 56.100 -0.039 0.000 0.925 673 R CB 2.002 32.298 30.300 -0.006 0.000 1.205 673 R HN 0.904 nan 8.270 nan 0.000 0.436 674 Y N 3.977 124.138 120.300 -0.231 0.000 2.376 674 Y HA 0.510 5.356 4.550 0.493 0.000 0.340 674 Y C -1.466 174.399 175.900 -0.059 0.000 0.965 674 Y CA -0.965 57.059 58.100 -0.127 0.000 1.078 674 Y CB 1.794 40.181 38.460 -0.121 0.000 1.193 674 Y HN 0.535 nan 8.280 nan 0.000 0.452 675 N N 4.354 122.655 118.700 -0.664 0.000 2.483 675 N HA 0.357 5.393 4.740 0.493 0.000 0.267 675 N C 0.034 175.027 175.510 -0.863 0.000 0.998 675 N CA -0.155 52.525 53.050 -0.616 0.000 0.918 675 N CB 1.989 40.352 38.487 -0.206 0.000 1.215 675 N HN 1.002 nan 8.380 nan 0.000 0.500 676 G N 0.917 109.224 108.800 -0.821 0.000 2.504 676 G HA2 0.097 4.353 3.960 0.493 0.000 0.257 676 G HA3 0.097 4.353 3.960 0.493 0.000 0.257 676 G C 1.031 175.842 174.900 -0.148 0.000 1.451 676 G CA -0.090 44.783 45.100 -0.378 0.000 1.059 676 G HN 0.462 nan 8.290 nan 0.000 0.550 677 R N -0.343 120.137 120.500 -0.033 0.000 2.073 677 R HA 0.031 4.666 4.340 0.493 0.000 0.229 677 R C 2.147 178.441 176.300 -0.009 0.000 1.120 677 R CA 1.714 57.813 56.100 -0.003 0.000 0.967 677 R CB -0.056 30.267 30.300 0.038 0.000 0.862 677 R HN 0.602 nan 8.270 nan 0.000 0.436 678 K N -1.690 118.703 120.400 -0.012 0.000 2.481 678 K HA 0.393 5.008 4.320 0.493 0.000 0.210 678 K C -0.233 176.353 176.600 -0.024 0.000 1.161 678 K CA -0.021 56.265 56.287 -0.002 0.000 1.023 678 K CB 1.473 33.988 32.500 0.024 0.000 0.971 678 K HN 0.030 nan 8.250 nan 0.000 0.577 679 A N 0.556 123.333 122.820 -0.070 0.000 2.556 679 A HA 0.815 5.431 4.320 0.493 0.000 0.294 679 A C -0.827 176.613 177.584 -0.241 0.000 1.091 679 A CA -0.383 51.575 52.037 -0.132 0.000 0.704 679 A CB 1.889 20.838 19.000 -0.084 0.000 1.300 679 A HN 0.257 nan 8.150 nan 0.000 0.406 680 G N -1.038 107.465 108.800 -0.495 0.000 2.682 680 G HA2 0.858 5.114 3.960 0.493 0.000 0.290 680 G HA3 0.858 5.114 3.960 0.493 0.000 0.290 680 G C -1.183 173.215 174.900 -0.836 0.000 1.425 680 G CA -0.043 44.702 45.100 -0.593 0.000 0.807 680 G HN 1.901 nan 8.290 nan 0.000 0.482 681 F N -1.135 118.528 119.950 -0.477 0.000 2.686 681 F HA 0.825 5.648 4.527 0.493 0.000 0.311 681 F C -1.529 174.363 175.800 0.152 0.000 1.128 681 F CA -1.776 56.111 58.000 -0.189 0.000 0.946 681 F CB 1.591 40.567 39.000 -0.040 0.000 1.336 681 F HN 0.839 nan 8.300 nan 0.000 0.457 682 Y N 0.282 120.592 120.300 0.018 0.000 2.545 682 Y HA 0.955 5.801 4.550 0.493 0.000 0.348 682 Y C -0.750 174.925 175.900 -0.375 0.000 1.002 682 Y CA -1.712 56.168 58.100 -0.368 0.000 1.039 682 Y CB 1.967 40.302 38.460 -0.208 0.000 1.271 682 Y HN 1.002 nan 8.280 nan 0.000 0.467 683 G N 2.111 110.377 108.800 -0.890 0.000 2.566 683 G HA2 0.499 4.755 3.960 0.493 0.000 0.311 683 G HA3 0.499 4.755 3.960 0.493 0.000 0.311 683 G C -2.159 172.361 174.900 -0.633 0.000 1.322 683 G CA -0.936 43.683 45.100 -0.801 0.000 0.969 683 G HN 0.776 nan 8.290 nan 0.000 0.490 684 Q N 1.653 121.198 119.800 -0.425 0.000 2.310 684 Q HA 0.418 5.054 4.340 0.493 0.000 0.270 684 Q C -1.282 174.519 176.000 -0.332 0.000 1.025 684 Q CA -0.766 54.874 55.803 -0.271 0.000 0.772 684 Q CB 1.460 30.218 28.738 0.033 0.000 1.253 684 Q HN 0.428 nan 8.270 nan 0.000 0.450 685 F N 4.288 124.259 119.950 0.034 0.000 2.464 685 F HA 0.080 4.902 4.527 0.492 0.000 0.353 685 F C 1.393 177.232 175.800 0.065 0.000 1.191 685 F CA -0.441 57.560 58.000 0.001 0.000 1.147 685 F CB 0.447 39.422 39.000 -0.041 0.000 1.294 685 F HN 0.466 nan 8.300 nan 0.000 0.583 686 V N 1.140 121.192 119.914 0.231 0.000 2.951 686 V HA 0.076 4.492 4.120 0.493 0.000 0.255 686 V C -0.295 175.949 176.094 0.251 0.000 1.088 686 V CA 0.722 63.147 62.300 0.209 0.000 1.109 686 V CB -0.824 31.117 31.823 0.198 0.000 0.724 686 V HN 0.602 nan 8.190 nan 0.000 0.471 687 Y N -0.111 120.255 120.300 0.111 0.000 2.390 687 Y HA 0.615 5.461 4.550 0.492 0.000 0.324 687 Y C -0.779 175.175 175.900 0.091 0.000 1.151 687 Y CA -0.200 57.946 58.100 0.076 0.000 1.053 687 Y CB 1.847 40.337 38.460 0.050 0.000 1.277 687 Y HN -0.022 nan 8.280 nan 0.000 0.432 688 S N 3.734 119.242 115.700 -0.320 0.000 2.673 688 S HA 0.225 4.990 4.470 0.493 0.000 0.256 688 S C 0.502 174.908 174.600 -0.324 0.000 1.141 688 S CA 0.026 58.118 58.200 -0.180 0.000 1.109 688 S CB 0.348 63.513 63.200 -0.059 0.000 1.101 688 S HN 0.995 nan 8.310 nan 0.000 0.471 689 S N 3.283 118.802 115.700 -0.302 0.000 2.419 689 S HA -0.029 4.737 4.470 0.493 0.000 0.235 689 S C 1.752 176.281 174.600 -0.119 0.000 1.019 689 S CA 1.364 59.432 58.200 -0.219 0.000 0.982 689 S CB -0.664 62.527 63.200 -0.015 0.000 0.789 689 S HN 0.942 nan 8.310 nan 0.000 0.490 690 G N 0.467 109.236 108.800 -0.052 0.000 2.920 690 G HA2 0.484 4.739 3.960 0.493 0.000 0.208 690 G HA3 0.484 4.739 3.960 0.493 0.000 0.208 690 G C 0.738 175.627 174.900 -0.017 0.000 1.159 690 G CA 0.038 45.110 45.100 -0.047 0.000 0.784 690 G HN 1.298 nan 8.290 nan 0.000 0.535 691 G N -0.766 108.003 108.800 -0.052 0.000 2.555 691 G HA2 0.241 4.497 3.960 0.493 0.000 0.686 691 G HA3 0.241 4.497 3.960 0.493 0.000 0.686 691 G C -0.118 174.757 174.900 -0.041 0.000 1.275 691 G CA -0.418 44.655 45.100 -0.045 0.000 0.871 691 G HN 0.981 nan 8.290 nan 0.000 0.603 692 T N 0.524 115.059 114.554 -0.032 0.000 2.834 692 T HA 0.553 5.199 4.350 0.493 0.000 0.298 692 T C -2.284 172.394 174.700 -0.038 0.000 0.966 692 T CA -0.811 61.275 62.100 -0.024 0.000 1.141 692 T CB 1.304 70.173 68.868 0.002 0.000 0.905 692 T HN 0.500 nan 8.240 nan 0.000 0.535 693 P HA 0.227 nan 4.420 nan 0.000 0.281 693 P C -0.367 176.883 177.300 -0.084 0.000 1.252 693 P CA -0.576 62.439 63.100 -0.141 0.000 0.778 693 P CB 0.519 31.997 31.700 -0.369 0.000 0.895 694 Q N 2.430 122.200 119.800 -0.051 0.000 2.304 694 Q HA 0.319 4.955 4.340 0.493 0.000 0.260 694 Q C -0.021 175.968 176.000 -0.017 0.000 0.965 694 Q CA 0.230 56.023 55.803 -0.015 0.000 0.898 694 Q CB 0.496 29.232 28.738 -0.004 0.000 1.196 694 Q HN 0.476 nan 8.270 nan 0.000 0.402 695 I N 1.507 122.091 120.570 0.024 0.000 2.362 695 I HA 0.258 4.724 4.170 0.493 0.000 0.289 695 I C -0.184 175.954 176.117 0.036 0.000 0.994 695 I CA -0.325 61.006 61.300 0.051 0.000 1.158 695 I CB 1.562 39.656 38.000 0.156 0.000 1.315 695 I HN 0.331 nan 8.210 nan 0.000 0.451 696 S N 4.352 120.054 115.700 0.002 0.000 2.532 696 S HA 0.774 5.539 4.470 0.493 0.000 0.301 696 S C -0.314 174.240 174.600 -0.076 0.000 1.083 696 S CA -0.738 57.447 58.200 -0.025 0.000 1.025 696 S CB 2.001 65.180 63.200 -0.035 0.000 1.056 696 S HN 0.672 nan 8.310 nan 0.000 0.494 697 A N 2.307 125.086 122.820 -0.069 0.000 2.249 697 A HA 0.673 5.289 4.320 0.493 0.000 0.314 697 A C -0.447 177.059 177.584 -0.130 0.000 1.290 697 A CA -0.588 51.383 52.037 -0.109 0.000 0.893 697 A CB 0.165 19.140 19.000 -0.041 0.000 1.165 697 A HN 0.622 nan 8.150 nan 0.000 0.530 698 V N 3.265 123.009 119.914 -0.284 0.000 2.472 698 V HA 0.274 4.690 4.120 0.493 0.000 0.290 698 V C 0.378 176.425 176.094 -0.080 0.000 1.037 698 V CA -0.592 61.576 62.300 -0.220 0.000 0.908 698 V CB 1.377 32.997 31.823 -0.338 0.000 0.985 698 V HN 0.944 nan 8.190 nan 0.000 0.454 699 E N 2.117 122.293 120.200 -0.039 0.000 2.283 699 E HA 0.560 5.205 4.350 0.493 0.000 0.271 699 E C 0.698 177.101 176.600 -0.328 0.000 1.031 699 E CA 0.593 56.905 56.400 -0.147 0.000 0.868 699 E CB 1.703 31.365 29.700 -0.063 0.000 1.094 699 E HN 1.011 nan 8.360 nan 0.000 0.401 700 G N 1.452 109.848 108.800 -0.673 0.000 2.562 700 G HA2 -0.285 3.971 3.960 0.493 0.000 0.250 700 G HA3 -0.285 3.971 3.960 0.493 0.000 0.250 700 G C -0.622 173.535 174.900 -1.238 0.000 1.269 700 G CA -0.218 44.331 45.100 -0.919 0.000 0.919 700 G HN 0.396 nan 8.290 nan 0.000 0.574 701 F N 1.078 120.678 119.950 -0.583 0.000 2.809 701 F HA 0.488 5.312 4.527 0.495 0.000 0.369 701 F C -2.148 173.397 175.800 -0.424 0.000 1.225 701 F CA -1.668 55.799 58.000 -0.889 0.000 1.201 701 F CB 1.688 39.947 39.000 -1.236 0.000 1.527 701 F HN 0.179 nan 8.300 nan 0.000 0.565 702 P HA 0.152 nan 4.420 nan 0.000 0.266 702 P C 0.075 177.420 177.300 0.076 0.000 1.195 702 P CA 0.664 63.783 63.100 0.031 0.000 0.768 702 P CB 0.650 32.400 31.700 0.083 0.000 0.838 703 D N -0.653 119.790 120.400 0.072 0.000 2.653 703 D HA -0.148 4.788 4.640 0.493 0.000 0.184 703 D C 0.128 176.473 176.300 0.074 0.000 0.993 703 D CA 1.123 55.165 54.000 0.070 0.000 1.027 703 D CB -1.286 39.560 40.800 0.076 0.000 1.089 703 D HN 0.246 nan 8.370 nan 0.000 0.447 704 I N 2.187 122.816 120.570 0.098 0.000 2.396 704 I HA 0.104 4.570 4.170 0.493 0.000 0.289 704 I C 0.908 177.124 176.117 0.165 0.000 1.056 704 I CA -0.809 60.568 61.300 0.128 0.000 1.365 704 I CB 0.398 38.465 38.000 0.111 0.000 1.407 704 I HN -0.077 nan 8.210 nan 0.000 0.509 705 D N 10.656 131.089 120.400 0.055 0.000 2.661 705 D HA -0.063 4.872 4.640 0.493 0.000 0.244 705 D C -1.290 174.892 176.300 -0.197 0.000 1.196 705 D CA -1.017 52.956 54.000 -0.045 0.000 0.881 705 D CB 0.934 41.695 40.800 -0.066 0.000 1.141 705 D HN 0.317 nan 8.370 nan 0.000 0.530 706 P HA -0.175 nan 4.420 nan 0.000 0.221 706 P C 0.891 177.684 177.300 -0.845 0.000 1.145 706 P CA 1.034 63.701 63.100 -0.722 0.000 0.795 706 P CB 0.290 31.801 31.700 -0.314 0.000 0.775 707 K N 0.276 120.399 120.400 -0.463 0.000 2.148 707 K HA -0.101 4.514 4.320 0.493 0.000 0.204 707 K C 2.071 178.466 176.600 -0.341 0.000 1.050 707 K CA 1.048 57.132 56.287 -0.339 0.000 0.942 707 K CB -0.174 32.206 32.500 -0.201 0.000 0.724 707 K HN 0.279 nan 8.250 nan 0.000 0.446 708 E N 0.144 120.147 120.200 -0.328 0.000 2.204 708 E HA -0.153 4.493 4.350 0.493 0.000 0.195 708 E C 0.891 177.422 176.600 -0.115 0.000 0.990 708 E CA 1.034 57.334 56.400 -0.167 0.000 0.821 708 E CB 0.010 29.677 29.700 -0.056 0.000 0.750 708 E HN 0.416 nan 8.360 nan 0.000 0.477 709 F N -0.302 119.566 119.950 -0.136 0.000 2.764 709 F HA 0.390 5.212 4.527 0.491 0.000 0.310 709 F C 0.149 175.845 175.800 -0.172 0.000 1.124 709 F CA -0.863 57.008 58.000 -0.216 0.000 1.252 709 F CB -0.369 38.536 39.000 -0.158 0.000 1.010 709 F HN -0.299 nan 8.300 nan 0.000 0.518 710 E N 1.640 121.659 120.200 -0.302 0.000 2.465 710 E HA 0.317 4.963 4.350 0.493 0.000 0.260 710 E C 1.436 177.977 176.600 -0.099 0.000 0.980 710 E CA 0.983 57.258 56.400 -0.209 0.000 0.927 710 E CB 0.356 29.931 29.700 -0.207 0.000 0.934 710 E HN 0.707 nan 8.360 nan 0.000 0.459 711 G N 3.803 112.574 108.800 -0.047 0.000 2.203 711 G HA2 -0.275 3.981 3.960 0.493 0.000 0.263 711 G HA3 -0.275 3.981 3.960 0.493 0.000 0.263 711 G C -0.065 174.824 174.900 -0.018 0.000 1.012 711 G CA 0.560 45.647 45.100 -0.022 0.000 0.749 711 G HN 0.411 nan 8.290 nan 0.000 0.512 712 L N -0.407 120.805 121.223 -0.019 0.000 2.322 712 L HA 0.494 5.130 4.340 0.493 0.000 0.269 712 L C -0.285 176.631 176.870 0.076 0.000 1.012 712 L CA -1.275 53.532 54.840 -0.055 0.000 0.815 712 L CB 1.224 43.032 42.059 -0.419 0.000 1.295 712 L HN -0.111 nan 8.230 nan 0.000 0.438 713 D N 2.184 122.673 120.400 0.148 0.000 2.371 713 D HA 0.221 5.157 4.640 0.493 0.000 0.256 713 D C -0.023 176.319 176.300 0.070 0.000 1.193 713 D CA 0.007 54.102 54.000 0.157 0.000 0.881 713 D CB 0.751 41.684 40.800 0.221 0.000 1.143 713 D HN 0.287 nan 8.370 nan 0.000 0.473 714 I N 0.153 120.692 120.570 -0.052 0.000 2.533 714 I HA 0.171 4.636 4.170 0.493 0.000 0.284 714 I C 0.298 176.144 176.117 -0.450 0.000 1.109 714 I CA -0.223 60.847 61.300 -0.383 0.000 1.412 714 I CB 0.391 38.111 38.000 -0.466 0.000 1.396 714 I HN 0.256 nan 8.210 nan 0.000 0.543 715 H N 3.853 122.642 119.070 -0.469 0.000 2.544 715 H HA 0.502 5.353 4.556 0.492 0.000 0.365 715 H C -0.721 174.242 175.328 -0.608 0.000 1.268 715 H CA -0.493 55.384 56.048 -0.285 0.000 1.400 715 H CB 0.692 30.481 29.762 0.045 0.000 1.538 715 H HN 0.676 nan 8.280 nan 0.000 0.597 716 H N -1.283 117.819 119.070 0.053 0.000 2.797 716 H HA 0.385 5.237 4.556 0.493 0.000 0.362 716 H C -0.786 174.614 175.328 0.120 0.000 1.183 716 H CA -0.841 55.215 56.048 0.013 0.000 1.197 716 H CB 1.606 31.350 29.762 -0.030 0.000 1.835 716 H HN 0.813 nan 8.280 nan 0.000 0.567 717 H N -1.973 117.124 119.070 0.045 0.000 3.079 717 H HA 0.558 5.410 4.556 0.494 0.000 0.356 717 H C -1.800 173.448 175.328 -0.134 0.000 1.221 717 H CA -1.111 54.847 56.048 -0.149 0.000 1.185 717 H CB 0.581 30.087 29.762 -0.427 0.000 1.882 717 H HN 0.520 nan 8.280 nan 0.000 0.543 718 V N 1.721 121.469 119.914 -0.277 0.000 2.743 718 V HA 0.456 4.872 4.120 0.493 0.000 0.301 718 V C -0.579 175.409 176.094 -0.175 0.000 1.057 718 V CA -0.355 61.769 62.300 -0.294 0.000 1.006 718 V CB 1.333 32.894 31.823 -0.436 0.000 1.024 718 V HN 1.024 nan 8.190 nan 0.000 0.473 719 C N 6.795 126.028 119.300 -0.112 0.000 2.801 719 C HA 0.781 5.537 4.460 0.493 0.000 0.296 719 C C 0.326 175.333 174.990 0.029 0.000 1.054 719 C CA -0.516 58.504 59.018 0.003 0.000 1.442 719 C CB -0.603 27.127 27.740 -0.016 0.000 1.860 719 C HN 1.132 nan 8.230 nan 0.000 0.459 720 A N 4.553 127.424 122.820 0.086 0.000 2.310 720 A HA 0.620 5.235 4.320 0.493 0.000 0.300 720 A C 0.399 177.931 177.584 -0.086 0.000 1.269 720 A CA 0.170 52.154 52.037 -0.088 0.000 0.909 720 A CB 0.148 18.888 19.000 -0.434 0.000 1.144 720 A HN 0.837 nan 8.150 nan 0.000 0.540 721 T N 2.929 117.428 114.554 -0.092 0.000 2.821 721 T HA 0.410 5.056 4.350 0.493 0.000 0.307 721 T C -0.082 174.576 174.700 -0.070 0.000 1.034 721 T CA -0.369 61.698 62.100 -0.055 0.000 0.953 721 T CB 0.886 69.745 68.868 -0.015 0.000 0.968 721 T HN 0.343 nan 8.240 nan 0.000 0.462 722 V N 6.483 126.354 119.914 -0.072 0.000 2.530 722 V HA 0.254 4.670 4.120 0.493 0.000 0.282 722 V C -1.941 174.187 176.094 0.057 0.000 1.048 722 V CA -1.984 60.308 62.300 -0.013 0.000 0.997 722 V CB 0.789 32.619 31.823 0.012 0.000 0.987 722 V HN 0.648 nan 8.190 nan 0.000 0.477 723 P HA 0.119 nan 4.420 nan 0.000 0.269 723 P C -0.266 177.108 177.300 0.124 0.000 1.217 723 P CA -0.083 63.059 63.100 0.069 0.000 0.783 723 P CB 0.390 32.113 31.700 0.038 0.000 0.898 724 A N 1.473 124.349 122.820 0.094 0.000 2.587 724 A HA 0.387 5.003 4.320 0.493 0.000 0.235 724 A C 0.353 177.972 177.584 0.059 0.000 1.044 724 A CA 1.179 53.281 52.037 0.108 0.000 0.754 724 A CB -1.065 17.974 19.000 0.065 0.000 0.968 724 A HN 0.624 nan 8.150 nan 0.000 0.509 725 A N 1.521 124.366 122.820 0.042 0.000 2.594 725 A HA 0.623 5.239 4.320 0.493 0.000 0.296 725 A C 0.531 178.037 177.584 -0.129 0.000 1.061 725 A CA 0.282 52.220 52.037 -0.165 0.000 0.689 725 A CB 0.363 19.069 19.000 -0.490 0.000 1.280 725 A HN 1.853 nan 8.150 nan 0.000 0.406 726 T N -1.512 112.987 114.554 -0.091 0.000 3.081 726 T HA 0.255 4.901 4.350 0.493 0.000 0.255 726 T C 0.620 175.313 174.700 -0.012 0.000 1.113 726 T CA 0.815 62.904 62.100 -0.020 0.000 1.082 726 T CB -0.193 68.671 68.868 -0.007 0.000 0.939 726 T HN 0.633 nan 8.240 nan 0.000 0.506 727 R N 1.153 121.592 120.500 -0.102 0.000 2.514 727 R HA 0.444 5.079 4.340 0.493 0.000 0.296 727 R C -1.795 174.421 176.300 -0.139 0.000 1.012 727 R CA -0.693 55.409 56.100 0.003 0.000 0.897 727 R CB 0.638 30.953 30.300 0.027 0.000 1.184 727 R HN 0.344 nan 8.270 nan 0.000 0.440 728 H N 3.482 122.672 119.070 0.200 0.000 2.529 728 H HA 0.462 5.313 4.556 0.493 0.000 0.348 728 H C -0.539 174.856 175.328 0.112 0.000 1.079 728 H CA -0.650 55.470 56.048 0.120 0.000 1.198 728 H CB 2.164 31.965 29.762 0.066 0.000 1.521 728 H HN 0.311 nan 8.280 nan 0.000 0.514 729 R N 3.230 123.871 120.500 0.235 0.000 2.487 729 R HA 0.187 4.823 4.340 0.493 0.000 0.288 729 R C -1.305 175.148 176.300 0.256 0.000 1.394 729 R CA -0.840 55.390 56.100 0.217 0.000 1.155 729 R CB 0.690 31.193 30.300 0.339 0.000 1.156 729 R HN 0.260 nan 8.270 nan 0.000 0.553 730 L N 3.717 125.058 121.223 0.197 0.000 2.295 730 L HA 0.522 5.158 4.340 0.493 0.000 0.285 730 L C -1.111 175.895 176.870 0.227 0.000 1.035 730 L CA -0.475 54.483 54.840 0.197 0.000 0.806 730 L CB 1.932 44.067 42.059 0.126 0.000 1.214 730 L HN 0.170 nan 8.230 nan 0.000 0.426 731 V N 3.815 123.893 119.914 0.273 0.000 2.531 731 V HA 0.585 5.001 4.120 0.493 0.000 0.301 731 V C -0.384 175.843 176.094 0.222 0.000 1.034 731 V CA -0.464 61.990 62.300 0.256 0.000 0.865 731 V CB 1.936 33.926 31.823 0.279 0.000 0.995 731 V HN 0.853 nan 8.190 nan 0.000 0.424 732 T N 5.868 120.508 114.554 0.143 0.000 2.809 732 T HA 0.526 5.172 4.350 0.493 0.000 0.284 732 T C -0.645 174.064 174.700 0.015 0.000 0.992 732 T CA -0.335 61.749 62.100 -0.027 0.000 0.957 732 T CB 1.476 70.203 68.868 -0.235 0.000 0.942 732 T HN 0.436 nan 8.240 nan 0.000 0.439 733 L N 4.752 125.964 121.223 -0.017 0.000 2.290 733 L HA 0.568 5.204 4.340 0.493 0.000 0.284 733 L C -1.122 175.672 176.870 -0.126 0.000 1.078 733 L CA -0.275 54.548 54.840 -0.029 0.000 0.815 733 L CB 0.251 42.346 42.059 0.061 0.000 1.162 733 L HN 0.599 nan 8.230 nan 0.000 0.435 734 L N 6.512 127.720 121.223 -0.026 0.000 2.319 734 L HA 0.512 5.147 4.340 0.493 0.000 0.281 734 L C -1.081 175.805 176.870 0.027 0.000 1.005 734 L CA -0.769 54.085 54.840 0.024 0.000 0.828 734 L CB 1.851 44.023 42.059 0.189 0.000 1.227 734 L HN 0.352 nan 8.230 nan 0.000 0.415 735 V N 5.137 124.910 119.914 -0.236 0.000 2.325 735 V HA 0.347 4.763 4.120 0.493 0.000 0.280 735 V C -2.105 174.093 176.094 0.174 0.000 1.016 735 V CA -1.486 60.738 62.300 -0.127 0.000 0.818 735 V CB 1.518 33.051 31.823 -0.483 0.000 1.019 735 V HN 0.550 nan 8.190 nan 0.000 0.434 736 P HA 0.514 nan 4.420 nan 0.000 0.279 736 P C -1.534 175.940 177.300 0.290 0.000 1.252 736 P CA -0.210 63.040 63.100 0.251 0.000 0.811 736 P CB 1.117 32.992 31.700 0.292 0.000 1.035 737 Y N -3.247 117.083 120.300 0.050 0.000 2.604 737 Y HA 0.465 5.311 4.550 0.493 0.000 0.331 737 Y C -0.450 175.075 175.900 -0.625 0.000 1.158 737 Y CA -1.405 56.472 58.100 -0.372 0.000 1.056 737 Y CB 0.153 38.543 38.460 -0.117 0.000 1.330 737 Y HN 0.331 nan 8.280 nan 0.000 0.457 738 S N 2.333 117.590 115.700 -0.738 0.000 2.516 738 S HA 0.176 4.942 4.470 0.493 0.000 0.282 738 S C 0.908 175.541 174.600 0.056 0.000 1.286 738 S CA -0.498 57.551 58.200 -0.253 0.000 1.066 738 S CB 0.220 63.343 63.200 -0.128 0.000 0.884 738 S HN 0.833 nan 8.310 nan 0.000 0.491 739 L N 4.587 125.858 121.223 0.080 0.000 2.043 739 L HA -0.197 4.438 4.340 0.493 0.000 0.212 739 L C 2.539 179.450 176.870 0.068 0.000 1.075 739 L CA 1.701 56.621 54.840 0.134 0.000 0.752 739 L CB -0.465 41.629 42.059 0.058 0.000 0.891 739 L HN 0.725 nan 8.230 nan 0.000 0.432 740 K N 0.020 120.443 120.400 0.038 0.000 2.089 740 K HA -0.170 4.446 4.320 0.493 0.000 0.210 740 K C 0.481 177.085 176.600 0.008 0.000 1.048 740 K CA 1.328 57.628 56.287 0.022 0.000 0.926 740 K CB -0.056 32.460 32.500 0.027 0.000 0.714 740 K HN 0.328 nan 8.250 nan 0.000 0.448 741 E N 0.615 120.820 120.200 0.009 0.000 2.916 741 E HA 0.187 4.832 4.350 0.493 0.000 0.217 741 E C -2.627 173.943 176.600 -0.051 0.000 1.100 741 E CA -1.952 54.441 56.400 -0.013 0.000 0.891 741 E CB 1.339 31.046 29.700 0.012 0.000 1.311 741 E HN 0.047 nan 8.360 nan 0.000 0.421 742 P HA 0.008 nan 4.420 nan 0.000 0.268 742 P C -0.468 176.634 177.300 -0.330 0.000 1.205 742 P CA 0.011 62.828 63.100 -0.471 0.000 0.771 742 P CB 0.734 32.128 31.700 -0.509 0.000 0.858 743 K N 2.706 122.902 120.400 -0.340 0.000 2.208 743 K HA 0.633 5.248 4.320 0.493 0.000 0.247 743 K C -0.232 176.352 176.600 -0.025 0.000 0.953 743 K CA -0.853 55.389 56.287 -0.075 0.000 0.837 743 K CB 2.394 34.945 32.500 0.084 0.000 1.131 743 K HN 0.326 nan 8.250 nan 0.000 0.431 744 R N 1.847 122.317 120.500 -0.049 0.000 2.533 744 R HA 0.413 5.049 4.340 0.493 0.000 0.288 744 R C -1.308 174.848 176.300 -0.241 0.000 1.039 744 R CA -0.414 55.601 56.100 -0.143 0.000 0.909 744 R CB 0.668 30.761 30.300 -0.344 0.000 1.195 744 R HN 0.455 nan 8.270 nan 0.000 0.438 745 I N 5.086 125.516 120.570 -0.234 0.000 2.493 745 I HA 0.435 4.900 4.170 0.493 0.000 0.298 745 I C -0.478 175.437 176.117 -0.338 0.000 0.998 745 I CA -0.865 60.274 61.300 -0.268 0.000 1.137 745 I CB 1.245 38.994 38.000 -0.419 0.000 1.310 745 I HN 0.567 nan 8.210 nan 0.000 0.445 746 F N 3.168 123.161 119.950 0.072 0.000 2.443 746 F HA 0.515 5.338 4.527 0.493 0.000 0.335 746 F C 0.707 176.566 175.800 0.098 0.000 1.104 746 F CA -0.474 57.574 58.000 0.079 0.000 1.013 746 F CB 1.885 40.911 39.000 0.043 0.000 1.136 746 F HN 0.463 nan 8.300 nan 0.000 0.470 747 S N 3.094 118.917 115.700 0.205 0.000 2.599 747 S HA 0.850 5.615 4.470 0.493 0.000 0.294 747 S C -1.422 173.230 174.600 0.086 0.000 1.094 747 S CA -0.621 57.550 58.200 -0.048 0.000 0.931 747 S CB 2.185 65.207 63.200 -0.298 0.000 1.093 747 S HN 0.590 nan 8.310 nan 0.000 0.488 748 F N 1.427 121.277 119.950 -0.166 0.000 2.588 748 F HA 0.686 5.508 4.527 0.493 0.000 0.314 748 F C -2.123 173.652 175.800 -0.042 0.000 1.134 748 F CA -1.115 56.854 58.000 -0.051 0.000 0.961 748 F CB 1.026 40.024 39.000 -0.003 0.000 1.239 748 F HN 0.632 nan 8.300 nan 0.000 0.448 749 I N 4.725 124.821 120.570 -0.790 0.000 2.339 749 I HA 0.271 4.737 4.170 0.493 0.000 0.290 749 I C -0.851 174.759 176.117 -0.845 0.000 0.994 749 I CA -0.387 60.514 61.300 -0.664 0.000 1.191 749 I CB 1.446 39.308 38.000 -0.231 0.000 1.343 749 I HN 0.537 nan 8.210 nan 0.000 0.458 750 D N 4.543 124.559 120.400 -0.640 0.000 2.622 750 D HA 0.076 5.012 4.640 0.493 0.000 0.262 750 D C 0.704 176.911 176.300 -0.154 0.000 1.189 750 D CA 0.020 53.835 54.000 -0.308 0.000 0.985 750 D CB 0.409 41.176 40.800 -0.055 0.000 0.994 750 D HN 0.437 nan 8.370 nan 0.000 0.513 751 D N 0.726 121.056 120.400 -0.117 0.000 2.085 751 D HA -0.142 4.794 4.640 0.493 0.000 0.199 751 D C 0.497 176.783 176.300 -0.024 0.000 0.981 751 D CA 0.561 54.531 54.000 -0.050 0.000 0.834 751 D CB -0.078 40.761 40.800 0.064 0.000 0.992 751 D HN 0.422 nan 8.370 nan 0.000 0.457 752 Q N 0.561 120.352 119.800 -0.016 0.000 2.618 752 Q HA 0.178 4.814 4.340 0.493 0.000 0.344 752 Q C -0.102 175.867 176.000 -0.052 0.000 1.073 752 Q CA 1.008 56.792 55.803 -0.031 0.000 1.105 752 Q CB -0.398 28.326 28.738 -0.023 0.000 1.028 752 Q HN 0.401 nan 8.270 nan 0.000 0.397 753 G N 2.827 111.565 108.800 -0.103 0.000 2.361 753 G HA2 -0.082 4.174 3.960 0.493 0.000 0.331 753 G HA3 -0.082 4.174 3.960 0.493 0.000 0.331 753 G C -0.411 174.399 174.900 -0.150 0.000 1.324 753 G CA -0.402 44.604 45.100 -0.157 0.000 0.984 753 G HN 0.481 nan 8.290 nan 0.000 0.586 754 F N 1.421 121.375 119.950 0.006 0.000 2.069 754 F HA 0.103 4.926 4.527 0.492 0.000 0.298 754 F C 2.261 178.065 175.800 0.007 0.000 1.113 754 F CA 1.678 59.683 58.000 0.008 0.000 1.214 754 F CB -0.402 38.602 39.000 0.006 0.000 0.978 754 F HN 0.573 nan 8.300 nan 0.000 0.474 755 S N -1.165 114.660 115.700 0.209 0.000 2.549 755 S HA 0.379 5.144 4.470 0.493 0.000 0.297 755 S C -0.170 174.432 174.600 0.003 0.000 1.115 755 S CA -0.795 57.457 58.200 0.087 0.000 1.059 755 S CB 1.571 64.806 63.200 0.058 0.000 1.046 755 S HN 0.108 nan 8.310 nan 0.000 0.506 756 T N 1.662 116.178 114.554 -0.062 0.000 2.739 756 T HA 0.282 4.928 4.350 0.493 0.000 0.298 756 T C -0.984 173.546 174.700 -0.284 0.000 0.929 756 T CA -0.507 61.478 62.100 -0.191 0.000 1.014 756 T CB -0.773 67.900 68.868 -0.325 0.000 0.914 756 T HN 0.587 nan 8.240 nan 0.000 0.509 757 D N 4.433 124.674 120.400 -0.265 0.000 2.210 757 D HA 0.471 5.407 4.640 0.493 0.000 0.249 757 D C -0.065 175.948 176.300 -0.478 0.000 1.078 757 D CA -0.056 53.728 54.000 -0.360 0.000 0.875 757 D CB 1.058 41.700 40.800 -0.262 0.000 1.175 757 D HN 0.581 nan 8.370 nan 0.000 0.440 758 I N 2.457 122.684 120.570 -0.572 0.000 2.447 758 I HA 0.245 4.710 4.170 0.493 0.000 0.287 758 I C -1.020 174.699 176.117 -0.663 0.000 1.023 758 I CA -0.928 60.033 61.300 -0.565 0.000 1.083 758 I CB 1.236 38.974 38.000 -0.436 0.000 1.245 758 I HN 0.194 nan 8.210 nan 0.000 0.434 759 Y N 5.623 125.703 120.300 -0.367 0.000 2.331 759 Y HA 0.534 5.379 4.550 0.493 0.000 0.338 759 Y C -0.415 175.367 175.900 -0.197 0.000 0.976 759 Y CA -0.412 57.612 58.100 -0.126 0.000 1.137 759 Y CB 1.150 39.712 38.460 0.171 0.000 1.172 759 Y HN 0.322 nan 8.280 nan 0.000 0.478 760 F N 1.572 121.688 119.950 0.276 0.000 2.507 760 F HA 0.721 5.543 4.527 0.493 0.000 0.327 760 F C 0.090 176.061 175.800 0.286 0.000 1.068 760 F CA -0.593 57.578 58.000 0.285 0.000 0.965 760 F CB 2.156 41.379 39.000 0.373 0.000 1.192 760 F HN 0.425 nan 8.300 nan 0.000 0.476 761 S N -0.244 115.702 115.700 0.409 0.000 2.565 761 S HA 0.581 5.346 4.470 0.493 0.000 0.269 761 S C -1.640 173.115 174.600 0.259 0.000 1.153 761 S CA -1.154 57.232 58.200 0.310 0.000 0.835 761 S CB 1.937 65.275 63.200 0.230 0.000 1.122 761 S HN 0.541 nan 8.310 nan 0.000 0.462 762 D N 0.086 120.610 120.400 0.207 0.000 2.539 762 D HA 0.402 5.337 4.640 0.493 0.000 0.276 762 D C 1.645 178.071 176.300 0.210 0.000 1.206 762 D CA -0.299 53.809 54.000 0.179 0.000 1.081 762 D CB -0.114 40.763 40.800 0.129 0.000 1.142 762 D HN 0.921 nan 8.370 nan 0.000 0.595 763 V N -3.251 116.774 119.914 0.186 0.000 3.444 763 V HA 0.042 4.457 4.120 0.493 0.000 0.271 763 V C 0.103 176.242 176.094 0.075 0.000 1.188 763 V CA 1.080 63.470 62.300 0.150 0.000 1.168 763 V CB -0.703 31.204 31.823 0.141 0.000 0.810 763 V HN 0.353 nan 8.190 nan 0.000 0.500 764 D N 0.512 120.957 120.400 0.075 0.000 2.424 764 D HA 0.146 5.081 4.640 0.493 0.000 0.220 764 D C 0.568 176.896 176.300 0.046 0.000 1.150 764 D CA 0.359 54.388 54.000 0.049 0.000 0.831 764 D CB -0.058 40.771 40.800 0.048 0.000 0.981 764 D HN 0.626 nan 8.370 nan 0.000 0.500 765 D N 1.915 122.347 120.400 0.054 0.000 2.704 765 D HA -0.200 4.736 4.640 0.493 0.000 0.232 765 D C -0.762 175.577 176.300 0.066 0.000 1.183 765 D CA 0.771 54.800 54.000 0.050 0.000 0.647 765 D CB -0.486 40.316 40.800 0.005 0.000 1.013 765 D HN 0.315 nan 8.370 nan 0.000 0.415 766 E N 1.142 121.400 120.200 0.098 0.000 2.133 766 E HA 0.471 5.116 4.350 0.493 0.000 0.274 766 E C 0.273 176.975 176.600 0.171 0.000 0.930 766 E CA -0.786 55.678 56.400 0.107 0.000 0.770 766 E CB 1.263 31.015 29.700 0.087 0.000 1.104 766 E HN 0.253 nan 8.360 nan 0.000 0.403 767 R N 1.565 122.171 120.500 0.177 0.000 2.643 767 R HA 0.601 5.236 4.340 0.493 0.000 0.272 767 R C -0.828 175.673 176.300 0.334 0.000 0.995 767 R CA -0.703 55.548 56.100 0.251 0.000 1.032 767 R CB 1.206 31.622 30.300 0.193 0.000 1.126 767 R HN 0.423 nan 8.270 nan 0.000 0.505 768 F N 0.727 120.812 119.950 0.225 0.000 2.574 768 F HA 0.384 5.207 4.527 0.493 0.000 0.313 768 F C -1.157 174.729 175.800 0.142 0.000 1.130 768 F CA -1.004 57.077 58.000 0.136 0.000 0.936 768 F CB 1.761 40.827 39.000 0.110 0.000 1.219 768 F HN 0.279 nan 8.300 nan 0.000 0.445 769 K N 7.030 126.926 120.400 -0.840 0.000 2.339 769 K HA 0.540 5.155 4.320 0.493 0.000 0.264 769 K C -1.945 173.939 176.600 -1.193 0.000 0.986 769 K CA -0.803 54.967 56.287 -0.862 0.000 0.866 769 K CB 1.248 33.478 32.500 -0.450 0.000 1.103 769 K HN 0.763 nan 8.250 nan 0.000 0.441 770 L N 3.550 124.214 121.223 -0.932 0.000 2.262 770 L HA 0.301 4.936 4.340 0.493 0.000 0.288 770 L C -0.751 175.846 176.870 -0.455 0.000 1.035 770 L CA 0.239 54.705 54.840 -0.623 0.000 0.820 770 L CB 1.571 43.462 42.059 -0.279 0.000 1.204 770 L HN 0.510 nan 8.230 nan 0.000 0.424 771 S N 6.110 121.614 115.700 -0.328 0.000 2.474 771 S HA 0.531 5.297 4.470 0.493 0.000 0.320 771 S C -0.556 173.976 174.600 -0.113 0.000 1.067 771 S CA -0.542 57.527 58.200 -0.218 0.000 1.127 771 S CB -0.076 63.025 63.200 -0.166 0.000 0.971 771 S HN 0.583 nan 8.310 nan 0.000 0.472 772 L N 6.882 128.039 121.223 -0.110 0.000 2.277 772 L HA 0.430 5.065 4.340 0.493 0.000 0.284 772 L C -2.203 174.674 176.870 0.012 0.000 1.028 772 L CA -2.321 52.496 54.840 -0.038 0.000 0.835 772 L CB 1.588 43.603 42.059 -0.073 0.000 1.215 772 L HN 0.390 nan 8.230 nan 0.000 0.425 773 P HA -0.018 nan 4.420 nan 0.000 0.269 773 P C 0.071 177.462 177.300 0.152 0.000 1.211 773 P CA 0.021 63.182 63.100 0.101 0.000 0.781 773 P CB 0.691 32.456 31.700 0.109 0.000 0.877 774 K N 0.322 120.811 120.400 0.148 0.000 2.444 774 K HA 0.029 4.645 4.320 0.493 0.000 0.193 774 K C 0.480 177.175 176.600 0.159 0.000 1.024 774 K CA 0.590 56.981 56.287 0.173 0.000 1.077 774 K CB 0.293 32.871 32.500 0.129 0.000 0.833 774 K HN 0.554 nan 8.250 nan 0.000 0.517 775 Q N -0.082 119.788 119.800 0.116 0.000 2.413 775 Q HA 0.443 5.079 4.340 0.493 0.000 0.276 775 Q C -0.901 175.138 176.000 0.066 0.000 1.099 775 Q CA -0.890 54.870 55.803 -0.071 0.000 0.814 775 Q CB 1.828 30.516 28.738 -0.083 0.000 1.379 775 Q HN -0.047 nan 8.270 nan 0.000 0.436 776 F N 0.000 119.982 119.950 0.053 0.000 2.286 776 F HA 0.000 4.822 4.527 0.492 0.000 0.279 776 F CA 0.000 58.032 58.000 0.054 0.000 1.383 776 F CB 0.000 39.039 39.000 0.065 0.000 1.145 776 F HN 0.000 nan 8.300 nan 0.000 0.574