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 1kcw_1_A DATA FIRST_RESID 1 DATA SEQUENCE KEKHYYIGII ETTWDYASDH GEKKLISVDT EHSNIYLQNG PDRIGRLYKK DATA SEQUENCE ALYLQYTDET FRTTIEKPVW LGFLGPIIKA ETGDKVYVHL KNLASRPYTF DATA SEQUENCE HSHGITYYKE HEGAIYPDNT TDFQRADDKV YPGEQYTYML LATEEQSPGE DATA SEQUENCE GDGNcVTRIY HSHIDAPKDI ASGLIGPLII cKKDSLDKEK EKHIDREFVV DATA SEQUENCE MFSVVDENFS WYLEDNIKTY CSEPEKVDKD NEDFQESNRM YSVNGYTFGS DATA SEQUENCE LPGLSMcAED RVKWYLFGMG NEVDVHAAFF HGQALTNKNY RIDTINLFPA DATA SEQUENCE TLFDAYMVAQ NPGEWMLSCQ NLNHLKAGLQ AFFQVQEcXX XXXXXXIRGK DATA SEQUENCE HVRHYYIAAE EIIWNYAPSG IDIFTKENLT APGSDSAVFF EQGTTRIGGS DATA SEQUENCE YKKLVYREYT DASFTNRKER GPEEEHLGIL GPVIWAEVGD TIRVTFHNKG DATA SEQUENCE AYPLSIEPIG VRFNKNNEGT YYSPXXXXXX XXVPPSASHV APTETFTYEW DATA SEQUENCE TVPKEVGPTN ADPVcLAKMY YSAVDPTKDI FTGLIGPMKI cKKGSLHANG DATA SEQUENCE RQKDVDKEFY LFPTVFDENE SLLLEDNIRM FTTAPDQVDK EDEDFQESNK DATA SEQUENCE MHSMNGFMYG NQPGLTMcKG DSVVWYLFSA GNEADVHGIY FSGNTYLWRG DATA SEQUENCE ERRDTANLFP QTSLTLHMWP DTEGTFNVEC LTTDHYTGGM KQKYTVNQcR DATA SEQUENCE RQSEDSTFYL GERTYYIAAV EVEWDYSPQR EWEKELHHLQ EQNVSNAFLD DATA SEQUENCE KGEFYIGSKY KKVVYRQYTD STFRVPVERK AEEEHLGILG PQLHADVGDK DATA SEQUENCE VKIIFKNMAT RPYSIHAHGV QTESSTVTPT LPGETLTYVW KIPERSGAGT DATA SEQUENCE EDSAcIPWAY YSTVDQVKDL YSGLIGPLIV cRRPXXXXXX XRRKLEFALL DATA SEQUENCE FLVFDENESW YLDDNIKTYS DHPEKVNKDD EEFIESNKMH AINGRMFGNL DATA SEQUENCE QGLTMHVGDE VNWYLMGMGN EIDLHTVHFH GHSFQYKHRG VYSSDVFDIF DATA SEQUENCE PGTYQTLEMF PRTPGIWLLH CHVTDHIHAG METTYTVLQN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.627 176.600 0.045 0.000 0.988 1 K CA 0.000 56.311 56.287 0.040 0.000 0.838 1 K CB 0.000 32.521 32.500 0.035 0.000 1.064 2 E N 1.844 122.083 120.200 0.065 0.000 2.518 2 E HA 0.304 4.654 4.350 -0.000 0.000 0.240 2 E C -1.178 175.447 176.600 0.043 0.000 0.996 2 E CA -0.948 55.493 56.400 0.069 0.000 0.768 2 E CB 1.170 30.966 29.700 0.160 0.000 1.329 2 E HN 0.239 nan 8.360 nan 0.000 0.408 3 K N 2.376 122.773 120.400 -0.006 0.000 2.258 3 K HA 0.248 4.568 4.320 -0.000 0.000 0.264 3 K C -0.314 176.188 176.600 -0.162 0.000 1.007 3 K CA -0.277 55.972 56.287 -0.064 0.000 0.941 3 K CB 0.606 33.098 32.500 -0.013 0.000 0.966 3 K HN 0.531 nan 8.250 nan 0.000 0.480 4 H N 1.424 120.387 119.070 -0.178 0.000 2.679 4 H HA 0.281 4.837 4.556 -0.000 0.000 0.360 4 H C -1.205 173.888 175.328 -0.392 0.000 1.105 4 H CA -0.548 55.419 56.048 -0.135 0.000 1.196 4 H CB 1.222 30.988 29.762 0.007 0.000 1.636 4 H HN 0.485 nan 8.280 nan 0.000 0.531 5 Y N 1.295 121.511 120.300 -0.140 0.000 2.477 5 Y HA 0.255 4.805 4.550 -0.000 0.000 0.347 5 Y C -0.855 174.878 175.900 -0.279 0.000 0.981 5 Y CA -0.851 57.178 58.100 -0.119 0.000 1.033 5 Y CB 1.687 40.081 38.460 -0.110 0.000 1.245 5 Y HN 0.470 nan 8.280 nan 0.000 0.455 6 Y N 3.400 123.883 120.300 0.305 0.000 2.478 6 Y HA 0.519 5.069 4.550 -0.000 0.000 0.329 6 Y C -0.879 175.270 175.900 0.415 0.000 0.967 6 Y CA -0.789 57.490 58.100 0.299 0.000 1.255 6 Y CB 0.525 38.946 38.460 -0.065 0.000 1.103 6 Y HN 0.356 nan 8.280 nan 0.000 0.497 7 I N 2.812 123.710 120.570 0.547 0.000 2.339 7 I HA 0.575 4.745 4.170 -0.000 0.000 0.290 7 I C 0.635 177.156 176.117 0.673 0.000 0.994 7 I CA -0.319 61.280 61.300 0.498 0.000 1.191 7 I CB 1.591 39.677 38.000 0.144 0.000 1.343 7 I HN 0.670 nan 8.210 nan 0.000 0.458 8 G N 6.386 115.665 108.800 0.799 0.000 2.420 8 G HA2 0.736 4.696 3.960 -0.000 0.000 0.331 8 G HA3 0.736 4.696 3.960 -0.000 0.000 0.331 8 G C -0.693 174.499 174.900 0.487 0.000 1.168 8 G CA -0.491 44.987 45.100 0.630 0.000 0.936 8 G HN 0.476 nan 8.290 nan 0.000 0.479 9 I N 2.395 123.147 120.570 0.302 0.000 2.337 9 I HA 0.238 4.408 4.170 -0.000 0.000 0.285 9 I C -0.427 175.788 176.117 0.163 0.000 1.041 9 I CA -0.549 60.849 61.300 0.163 0.000 1.199 9 I CB 0.943 39.008 38.000 0.108 0.000 1.370 9 I HN 0.377 nan 8.210 nan 0.000 0.470 10 I N 2.457 123.124 120.570 0.162 0.000 2.707 10 I HA 0.582 4.752 4.170 -0.000 0.000 0.309 10 I C -0.056 176.121 176.117 0.100 0.000 1.001 10 I CA -0.729 60.663 61.300 0.152 0.000 1.129 10 I CB 0.888 39.005 38.000 0.195 0.000 1.308 10 I HN 0.349 nan 8.210 nan 0.000 0.466 11 E N 0.937 121.186 120.200 0.081 0.000 2.283 11 E HA 0.687 5.036 4.350 -0.000 0.000 0.271 11 E C -0.603 176.008 176.600 0.018 0.000 1.031 11 E CA -0.324 56.086 56.400 0.016 0.000 0.868 11 E CB 1.103 30.773 29.700 -0.050 0.000 1.094 11 E HN 0.899 nan 8.360 nan 0.000 0.401 12 T N 0.408 114.964 114.554 0.002 0.000 2.676 12 T HA 0.250 4.600 4.350 -0.000 0.000 0.308 12 T C -1.558 173.190 174.700 0.081 0.000 1.740 12 T CA -0.551 61.581 62.100 0.053 0.000 0.982 12 T CB 0.733 69.661 68.868 0.099 0.000 1.724 12 T HN 0.472 nan 8.240 nan 0.000 0.497 13 T N 0.727 115.349 114.554 0.113 0.000 2.795 13 T HA 0.642 4.991 4.350 -0.000 0.000 0.282 13 T C -1.146 173.655 174.700 0.169 0.000 0.980 13 T CA -0.559 61.626 62.100 0.142 0.000 1.012 13 T CB 0.869 69.818 68.868 0.136 0.000 0.936 13 T HN 0.547 nan 8.240 nan 0.000 0.457 14 W N 2.315 123.589 121.300 -0.045 0.000 2.573 14 W HA 0.518 5.178 4.660 -0.000 0.000 0.326 14 W C -1.013 175.397 176.519 -0.181 0.000 1.049 14 W CA -0.632 56.639 57.345 -0.124 0.000 1.220 14 W CB 1.639 30.972 29.460 -0.211 0.000 1.373 14 W HN 0.800 nan 8.180 nan 0.000 0.507 15 D N 2.821 122.839 120.400 -0.636 0.000 2.414 15 D HA 0.148 4.788 4.640 -0.000 0.000 0.232 15 D C -0.042 175.869 176.300 -0.648 0.000 1.070 15 D CA -0.404 53.328 54.000 -0.448 0.000 0.839 15 D CB 0.748 41.363 40.800 -0.309 0.000 1.079 15 D HN 0.293 nan 8.370 nan 0.000 0.521 16 Y N 3.590 123.868 120.300 -0.037 0.000 2.619 16 Y HA 0.262 4.812 4.550 -0.000 0.000 0.308 16 Y C 1.580 177.562 175.900 0.136 0.000 1.192 16 Y CA 0.592 58.779 58.100 0.145 0.000 1.319 16 Y CB -1.055 37.606 38.460 0.336 0.000 1.030 16 Y HN 0.679 nan 8.280 nan 0.000 0.517 17 A N 0.144 123.024 122.820 0.099 0.000 6.923 17 A HA -0.150 4.170 4.320 -0.000 0.000 0.267 17 A C 1.056 178.711 177.584 0.119 0.000 2.116 17 A CA 1.080 53.162 52.037 0.076 0.000 0.821 17 A CB -1.611 17.424 19.000 0.058 0.000 1.086 17 A HN 0.729 nan 8.150 nan 0.000 0.409 18 S N -0.147 115.591 115.700 0.063 0.000 2.752 18 S HA 0.265 4.735 4.470 -0.000 0.000 0.242 18 S C 0.478 175.093 174.600 0.026 0.000 0.914 18 S CA 1.361 59.588 58.200 0.045 0.000 1.427 18 S CB -0.420 62.785 63.200 0.010 0.000 1.244 18 S HN 2.345 nan 8.310 nan 0.000 0.655 19 D N 0.565 120.975 120.400 0.018 0.000 2.901 19 D HA -0.315 4.325 4.640 -0.000 0.000 0.226 19 D C 0.379 176.677 176.300 -0.004 0.000 1.175 19 D CA 1.803 55.802 54.000 -0.001 0.000 0.720 19 D CB -3.009 37.787 40.800 -0.006 0.000 1.069 19 D HN 1.472 nan 8.370 nan 0.000 0.418 20 H N -1.700 117.368 119.070 -0.002 0.000 1.788 20 H HA 0.216 4.772 4.556 -0.000 0.000 0.331 20 H C 1.230 176.553 175.328 -0.009 0.000 0.844 20 H CA 1.618 57.662 56.048 -0.006 0.000 1.088 20 H CB -1.476 28.283 29.762 -0.005 0.000 1.552 20 H HN 1.528 nan 8.280 nan 0.000 0.299 21 G N -1.580 107.214 108.800 -0.010 0.000 2.349 21 G HA2 0.449 4.409 3.960 -0.000 0.000 0.294 21 G HA3 0.449 4.409 3.960 -0.000 0.000 0.294 21 G C -0.314 174.575 174.900 -0.017 0.000 1.380 21 G CA 0.225 45.316 45.100 -0.015 0.000 0.811 21 G HN 0.557 nan 8.290 nan 0.000 0.519 22 E N -0.943 119.242 120.200 -0.025 0.000 3.770 22 E HA 0.343 4.693 4.350 -0.000 0.000 0.331 22 E C 0.647 177.210 176.600 -0.061 0.000 0.714 22 E CA -0.333 56.048 56.400 -0.031 0.000 1.547 22 E CB 0.277 29.962 29.700 -0.025 0.000 2.420 22 E HN 0.297 nan 8.360 nan 0.000 0.501 23 K N 0.524 120.880 120.400 -0.073 0.000 3.274 23 K HA -0.177 4.143 4.320 -0.000 0.000 0.305 23 K C -0.913 175.575 176.600 -0.188 0.000 1.225 23 K CA 1.029 57.246 56.287 -0.116 0.000 0.904 23 K CB -1.113 31.316 32.500 -0.118 0.000 1.227 23 K HN 0.206 nan 8.250 nan 0.000 0.453 24 K N 1.027 121.346 120.400 -0.135 0.000 2.432 24 K HA 0.186 4.506 4.320 -0.000 0.000 0.226 24 K C -0.497 176.086 176.600 -0.029 0.000 1.057 24 K CA -0.583 55.622 56.287 -0.137 0.000 1.034 24 K CB 0.401 32.901 32.500 0.001 0.000 1.561 24 K HN -0.107 nan 8.250 nan 0.000 0.492 25 L N 4.258 125.429 121.223 -0.088 0.000 2.328 25 L HA 0.229 4.569 4.340 -0.000 0.000 0.280 25 L C 0.815 177.732 176.870 0.078 0.000 1.111 25 L CA 0.273 55.091 54.840 -0.036 0.000 0.909 25 L CB 0.082 42.054 42.059 -0.145 0.000 1.277 25 L HN 0.587 nan 8.230 nan 0.000 0.433 26 I N 0.818 121.506 120.570 0.196 0.000 2.493 26 I HA -0.187 3.983 4.170 -0.000 0.000 0.254 26 I C 1.474 177.674 176.117 0.138 0.000 1.160 26 I CA 0.287 61.731 61.300 0.240 0.000 1.445 26 I CB 0.052 38.182 38.000 0.217 0.000 1.086 26 I HN 0.625 nan 8.210 nan 0.000 0.433 27 S N 1.151 116.916 115.700 0.107 0.000 3.346 27 S HA -0.119 4.351 4.470 -0.000 0.000 0.148 27 S C 0.791 175.463 174.600 0.121 0.000 0.305 27 S CA -0.127 58.134 58.200 0.102 0.000 1.386 27 S CB -1.356 61.909 63.200 0.109 0.000 0.648 27 S HN 0.165 nan 8.310 nan 0.000 0.211 28 V N 0.437 120.418 119.914 0.112 0.000 3.906 28 V HA 0.102 4.222 4.120 -0.000 0.000 0.265 28 V C 1.166 177.320 176.094 0.100 0.000 0.910 28 V CA -0.728 61.645 62.300 0.122 0.000 0.858 28 V CB 0.129 32.015 31.823 0.106 0.000 1.199 28 V HN 0.434 nan 8.190 nan 0.000 0.390 29 D N 0.663 121.115 120.400 0.087 0.000 2.434 29 D HA 0.170 4.809 4.640 -0.000 0.000 0.252 29 D C -0.443 175.888 176.300 0.050 0.000 1.185 29 D CA 0.841 54.878 54.000 0.061 0.000 0.886 29 D CB 0.611 41.452 40.800 0.068 0.000 1.148 29 D HN 0.619 nan 8.370 nan 0.000 0.483 30 T N 2.872 117.435 114.554 0.015 0.000 3.486 30 T HA 0.253 4.603 4.350 -0.000 0.000 0.375 30 T C -0.365 174.328 174.700 -0.011 0.000 1.459 30 T CA -0.412 61.716 62.100 0.047 0.000 1.151 30 T CB 1.172 70.126 68.868 0.143 0.000 1.336 30 T HN 0.489 nan 8.240 nan 0.000 0.477 31 E N 1.280 121.454 120.200 -0.043 0.000 1.448 31 E HA -0.035 4.315 4.350 -0.000 0.000 0.223 31 E C -0.143 176.447 176.600 -0.017 0.000 1.059 31 E CA 0.312 56.681 56.400 -0.052 0.000 1.247 31 E CB -0.485 29.163 29.700 -0.087 0.000 4.496 31 E HN 0.860 nan 8.360 nan 0.000 0.768 32 H N 0.781 119.840 119.070 -0.019 0.000 3.563 32 H HA 0.423 4.979 4.556 -0.000 0.000 0.219 32 H C 0.201 175.424 175.328 -0.175 0.000 1.771 32 H CA 0.583 56.579 56.048 -0.087 0.000 1.458 32 H CB 0.185 29.895 29.762 -0.087 0.000 1.796 32 H HN -0.056 nan 8.280 nan 0.000 0.652 33 S N 1.523 117.190 115.700 -0.055 0.000 2.421 33 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 33 S C 0.755 175.193 174.600 -0.270 0.000 1.035 33 S CA -0.051 57.948 58.200 -0.335 0.000 0.953 33 S CB -0.045 62.799 63.200 -0.595 0.000 0.810 33 S HN 0.592 nan 8.310 nan 0.000 0.497 34 N N 1.414 120.026 118.700 -0.147 0.000 2.605 34 N HA 0.354 5.094 4.740 -0.000 0.000 0.282 34 N C 0.183 175.661 175.510 -0.053 0.000 1.206 34 N CA 0.212 53.216 53.050 -0.077 0.000 1.074 34 N CB 0.003 38.466 38.487 -0.041 0.000 1.434 34 N HN 0.378 nan 8.380 nan 0.000 0.506 35 I N -0.988 119.553 120.570 -0.049 0.000 3.913 35 I HA -0.079 4.091 4.170 -0.000 0.000 0.272 35 I C 0.585 176.844 176.117 0.237 0.000 1.075 35 I CA -0.099 61.221 61.300 0.033 0.000 1.359 35 I CB -0.178 37.744 38.000 -0.130 0.000 1.939 35 I HN 0.150 nan 8.210 nan 0.000 0.391 36 Y N 2.238 122.599 120.300 0.102 0.000 2.133 36 Y HA 0.008 4.557 4.550 -0.000 0.000 0.287 36 Y C 2.176 178.150 175.900 0.124 0.000 1.134 36 Y CA 1.205 59.390 58.100 0.141 0.000 1.133 36 Y CB -0.711 37.889 38.460 0.233 0.000 0.987 36 Y HN 0.130 nan 8.280 nan 0.000 0.502 37 L N -0.292 121.044 121.223 0.189 0.000 2.667 37 L HA 0.200 4.540 4.340 -0.000 0.000 0.232 37 L C 0.421 177.324 176.870 0.055 0.000 1.138 37 L CA 0.051 54.953 54.840 0.104 0.000 0.921 37 L CB -0.452 41.610 42.059 0.005 0.000 1.180 37 L HN -0.056 nan 8.230 nan 0.000 0.487 38 Q N 1.206 121.043 119.800 0.062 0.000 2.314 38 Q HA 0.188 4.527 4.340 -0.000 0.000 0.257 38 Q C 0.044 176.080 176.000 0.060 0.000 0.975 38 Q CA 0.105 55.935 55.803 0.046 0.000 0.933 38 Q CB 0.558 29.322 28.738 0.042 0.000 1.195 38 Q HN 0.178 nan 8.270 nan 0.000 0.426 39 N N 2.249 120.976 118.700 0.045 0.000 2.408 39 N HA 0.664 5.404 4.740 -0.000 0.000 0.260 39 N C -0.337 175.211 175.510 0.062 0.000 1.242 39 N CA 1.028 54.111 53.050 0.055 0.000 0.959 39 N CB 1.153 39.676 38.487 0.061 0.000 1.201 39 N HN 0.851 nan 8.380 nan 0.000 0.511 40 G N 0.281 109.124 108.800 0.071 0.000 2.356 40 G HA2 0.011 3.971 3.960 -0.000 0.000 0.288 40 G HA3 0.011 3.971 3.960 -0.000 0.000 0.288 40 G C -2.357 172.573 174.900 0.050 0.000 1.302 40 G CA -0.588 44.546 45.100 0.056 0.000 0.887 40 G HN 0.321 nan 8.290 nan 0.000 0.521 41 P HA -0.107 nan 4.420 nan 0.000 0.219 41 P C 0.731 178.032 177.300 0.003 0.000 1.161 41 P CA 2.561 65.670 63.100 0.016 0.000 0.909 41 P CB 0.046 31.753 31.700 0.012 0.000 0.793 42 D N -2.788 117.618 120.400 0.010 0.000 3.032 42 D HA 0.050 4.690 4.640 -0.000 0.000 0.280 42 D C 0.341 176.679 176.300 0.063 0.000 1.381 42 D CA -0.295 53.688 54.000 -0.029 0.000 1.068 42 D CB -0.596 40.177 40.800 -0.046 0.000 1.148 42 D HN -0.175 nan 8.370 nan 0.000 0.401 43 R N 1.057 121.638 120.500 0.136 0.000 2.655 43 R HA -0.018 4.322 4.340 -0.000 0.000 0.266 43 R C 0.868 177.265 176.300 0.161 0.000 0.981 43 R CA 0.423 56.647 56.100 0.207 0.000 1.098 43 R CB 0.453 30.855 30.300 0.170 0.000 0.928 43 R HN 0.378 nan 8.270 nan 0.000 0.425 44 I N 0.238 120.897 120.570 0.148 0.000 3.854 44 I HA 0.068 4.238 4.170 -0.000 0.000 0.312 44 I C 1.397 177.419 176.117 -0.158 0.000 1.273 44 I CA 0.798 62.089 61.300 -0.016 0.000 1.298 44 I CB -0.010 37.891 38.000 -0.164 0.000 1.071 44 I HN 0.951 nan 8.210 nan 0.000 0.428 45 G N 2.514 111.297 108.800 -0.030 0.000 2.568 45 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.222 45 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.222 45 G C -0.062 174.851 174.900 0.022 0.000 1.321 45 G CA -0.035 45.057 45.100 -0.013 0.000 0.893 45 G HN 0.367 nan 8.290 nan 0.000 0.569 46 R N -0.420 120.111 120.500 0.050 0.000 2.721 46 R HA 0.664 5.003 4.340 -0.000 0.000 0.296 46 R C 0.169 176.529 176.300 0.099 0.000 1.174 46 R CA -0.004 56.236 56.100 0.232 0.000 1.129 46 R CB -0.330 30.116 30.300 0.243 0.000 1.316 46 R HN 0.406 nan 8.270 nan 0.000 0.571 47 L N 1.102 122.177 121.223 -0.246 0.000 2.404 47 L HA 0.522 4.861 4.340 -0.000 0.000 0.272 47 L C -1.275 175.201 176.870 -0.657 0.000 0.980 47 L CA -0.910 53.690 54.840 -0.401 0.000 0.836 47 L CB 1.306 43.014 42.059 -0.586 0.000 1.238 47 L HN 0.074 nan 8.230 nan 0.000 0.408 48 Y N 1.573 121.808 120.300 -0.109 0.000 2.492 48 Y HA 0.371 4.921 4.550 -0.000 0.000 0.346 48 Y C -0.149 175.818 175.900 0.112 0.000 0.997 48 Y CA -0.922 57.201 58.100 0.037 0.000 1.025 48 Y CB 2.321 40.870 38.460 0.148 0.000 1.263 48 Y HN 0.376 nan 8.280 nan 0.000 0.454 49 K N 4.086 124.674 120.400 0.313 0.000 2.276 49 K HA 0.412 4.731 4.320 -0.000 0.000 0.283 49 K C -1.082 175.676 176.600 0.264 0.000 1.044 49 K CA -0.453 55.944 56.287 0.184 0.000 0.944 49 K CB 0.379 32.909 32.500 0.050 0.000 1.012 49 K HN 0.778 nan 8.250 nan 0.000 0.472 50 K N 2.334 122.835 120.400 0.169 0.000 2.571 50 K HA 0.423 4.743 4.320 -0.000 0.000 0.252 50 K C -1.298 175.375 176.600 0.121 0.000 0.956 50 K CA -0.946 55.495 56.287 0.257 0.000 0.822 50 K CB 1.541 34.059 32.500 0.028 0.000 1.286 50 K HN 0.476 nan 8.250 nan 0.000 0.439 51 A N 3.539 126.549 122.820 0.317 0.000 2.483 51 A HA 0.512 4.832 4.320 -0.000 0.000 0.238 51 A C -0.257 177.235 177.584 -0.153 0.000 1.070 51 A CA -0.135 51.954 52.037 0.087 0.000 0.770 51 A CB -0.321 18.735 19.000 0.093 0.000 1.008 51 A HN 0.765 nan 8.150 nan 0.000 0.497 52 L N -0.894 120.237 121.223 -0.155 0.000 2.591 52 L HA 0.467 4.806 4.340 -0.000 0.000 0.257 52 L C -1.228 175.616 176.870 -0.043 0.000 0.935 52 L CA -0.993 53.740 54.840 -0.179 0.000 0.873 52 L CB 0.824 42.783 42.059 -0.166 0.000 1.397 52 L HN 0.538 nan 8.230 nan 0.000 0.414 53 Y N 2.392 122.757 120.300 0.109 0.000 2.526 53 Y HA 0.549 5.099 4.550 -0.000 0.000 0.330 53 Y C 0.111 176.107 175.900 0.160 0.000 1.156 53 Y CA 0.378 58.591 58.100 0.189 0.000 1.419 53 Y CB 0.578 39.217 38.460 0.299 0.000 1.250 53 Y HN 0.451 nan 8.280 nan 0.000 0.540 54 L N 2.759 124.175 121.223 0.322 0.000 2.371 54 L HA 0.427 4.767 4.340 -0.000 0.000 0.262 54 L C -0.647 176.266 176.870 0.071 0.000 1.006 54 L CA -0.983 53.927 54.840 0.117 0.000 0.818 54 L CB 2.330 44.370 42.059 -0.032 0.000 1.354 54 L HN 0.516 nan 8.230 nan 0.000 0.415 55 Q N 1.771 121.546 119.800 -0.043 0.000 2.340 55 Q HA 0.361 4.701 4.340 -0.000 0.000 0.259 55 Q C -1.776 174.154 176.000 -0.118 0.000 0.964 55 Q CA -0.476 55.349 55.803 0.036 0.000 0.900 55 Q CB 0.852 29.657 28.738 0.111 0.000 1.228 55 Q HN 0.434 nan 8.270 nan 0.000 0.449 56 Y N 1.319 121.704 120.300 0.141 0.000 2.376 56 Y HA 0.187 4.737 4.550 -0.000 0.000 0.325 56 Y C 1.630 177.471 175.900 -0.098 0.000 1.199 56 Y CA -0.467 57.623 58.100 -0.016 0.000 1.206 56 Y CB 1.604 39.970 38.460 -0.156 0.000 1.229 56 Y HN 0.621 nan 8.280 nan 0.000 0.480 57 T N -0.827 113.716 114.554 -0.018 0.000 2.737 57 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 57 T C 0.112 174.507 174.700 -0.508 0.000 1.038 57 T CA 1.222 63.228 62.100 -0.156 0.000 1.144 57 T CB -0.065 68.729 68.868 -0.123 0.000 0.866 57 T HN 0.503 nan 8.240 nan 0.000 0.434 58 D N -0.105 119.902 120.400 -0.655 0.000 2.553 58 D HA 0.354 4.994 4.640 -0.000 0.000 0.249 58 D C 0.620 176.224 176.300 -1.161 0.000 1.062 58 D CA -0.527 52.914 54.000 -0.932 0.000 1.085 58 D CB 1.518 42.032 40.800 -0.477 0.000 1.350 58 D HN 0.005 nan 8.370 nan 0.000 0.575 59 E N -0.807 118.905 120.200 -0.812 0.000 2.472 59 E HA -0.030 4.320 4.350 -0.000 0.000 0.200 59 E C 0.203 176.729 176.600 -0.123 0.000 1.046 59 E CA 0.661 56.872 56.400 -0.315 0.000 0.871 59 E CB -0.063 29.589 29.700 -0.079 0.000 0.806 59 E HN 0.273 nan 8.360 nan 0.000 0.533 60 T N -0.329 114.063 114.554 -0.271 0.000 2.875 60 T HA 0.254 4.604 4.350 -0.000 0.000 0.307 60 T C -0.291 174.282 174.700 -0.213 0.000 1.013 60 T CA -0.645 61.392 62.100 -0.106 0.000 0.970 60 T CB -0.227 68.574 68.868 -0.111 0.000 0.986 60 T HN -0.139 nan 8.240 nan 0.000 0.536 61 F N 2.487 122.289 119.950 -0.248 0.000 2.679 61 F HA 0.495 5.022 4.527 -0.000 0.000 0.351 61 F C 1.636 177.140 175.800 -0.493 0.000 1.279 61 F CA -0.514 57.141 58.000 -0.574 0.000 1.227 61 F CB -0.585 38.044 39.000 -0.619 0.000 1.623 61 F HN 0.808 nan 8.300 nan 0.000 0.666 62 R N -0.395 120.025 120.500 -0.133 0.000 3.062 62 R HA 0.165 4.505 4.340 -0.000 0.000 0.161 62 R C 0.704 177.130 176.300 0.210 0.000 0.778 62 R CA 0.722 56.855 56.100 0.056 0.000 1.168 62 R CB -0.590 29.722 30.300 0.019 0.000 1.618 62 R HN 0.256 nan 8.270 nan 0.000 0.566 63 T N 2.305 116.961 114.554 0.169 0.000 2.723 63 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 63 T C 0.375 175.206 174.700 0.219 0.000 0.925 63 T CA 0.252 62.438 62.100 0.143 0.000 1.030 63 T CB 0.863 69.747 68.868 0.026 0.000 0.905 63 T HN 0.606 nan 8.240 nan 0.000 0.502 64 T N 1.456 116.076 114.554 0.111 0.000 2.918 64 T HA 0.687 5.036 4.350 -0.000 0.000 0.283 64 T C -0.051 174.604 174.700 -0.076 0.000 1.001 64 T CA -1.018 61.004 62.100 -0.129 0.000 1.041 64 T CB 0.597 69.326 68.868 -0.232 0.000 1.028 64 T HN 0.576 nan 8.240 nan 0.000 0.511 65 I N 1.391 121.901 120.570 -0.101 0.000 2.441 65 I HA 0.337 4.507 4.170 -0.000 0.000 0.295 65 I C 0.254 176.346 176.117 -0.042 0.000 0.994 65 I CA -0.897 60.380 61.300 -0.037 0.000 1.144 65 I CB 1.987 39.988 38.000 0.001 0.000 1.314 65 I HN 0.755 nan 8.210 nan 0.000 0.445 66 E N 6.263 126.449 120.200 -0.023 0.000 2.167 66 E HA 0.151 4.501 4.350 -0.000 0.000 0.284 66 E C -0.608 175.971 176.600 -0.036 0.000 1.016 66 E CA -0.737 55.649 56.400 -0.023 0.000 0.817 66 E CB 1.068 30.762 29.700 -0.010 0.000 1.080 66 E HN 0.342 nan 8.360 nan 0.000 0.397 67 K N 3.563 123.936 120.400 -0.046 0.000 2.218 67 K HA 0.324 4.643 4.320 -0.000 0.000 0.276 67 K C -2.473 174.018 176.600 -0.182 0.000 1.022 67 K CA -1.682 54.544 56.287 -0.101 0.000 0.946 67 K CB 0.352 32.812 32.500 -0.068 0.000 1.000 67 K HN 0.085 nan 8.250 nan 0.000 0.468 68 P HA -0.173 nan 4.420 nan 0.000 0.264 68 P C 1.158 178.185 177.300 -0.456 0.000 1.173 68 P CA -0.030 62.725 63.100 -0.575 0.000 0.761 68 P CB 0.422 31.339 31.700 -1.305 0.000 0.794 69 V N 2.362 122.153 119.914 -0.205 0.000 2.332 69 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 69 V C 1.718 177.948 176.094 0.228 0.000 1.055 69 V CA 1.678 64.013 62.300 0.057 0.000 1.038 69 V CB -1.712 30.189 31.823 0.130 0.000 0.651 69 V HN 0.746 nan 8.190 nan 0.000 0.450 70 W N -0.496 120.963 121.300 0.266 0.000 2.699 70 W HA 0.144 4.804 4.660 -0.000 0.000 0.249 70 W C 1.927 178.626 176.519 0.300 0.000 1.280 70 W CA 0.220 57.751 57.345 0.311 0.000 1.345 70 W CB -0.715 28.935 29.460 0.317 0.000 1.128 70 W HN 0.263 nan 8.180 nan 0.000 0.642 71 L N 1.406 122.699 121.223 0.117 0.000 2.275 71 L HA 0.043 4.382 4.340 -0.000 0.000 0.215 71 L C 1.865 178.801 176.870 0.111 0.000 1.119 71 L CA 1.477 56.368 54.840 0.085 0.000 0.790 71 L CB -0.857 41.023 42.059 -0.298 0.000 0.919 71 L HN 0.242 nan 8.230 nan 0.000 0.443 72 G N 0.471 109.377 108.800 0.177 0.000 2.566 72 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.280 72 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.280 72 G C 0.237 175.116 174.900 -0.035 0.000 1.225 72 G CA 0.399 45.487 45.100 -0.019 0.000 0.966 72 G HN 0.359 nan 8.290 nan 0.000 0.560 73 F N 1.740 121.373 119.950 -0.528 0.000 2.804 73 F HA 0.593 5.120 4.527 -0.000 0.000 0.303 73 F C 1.155 176.773 175.800 -0.303 0.000 1.154 73 F CA -0.716 56.911 58.000 -0.622 0.000 1.401 73 F CB -0.720 37.407 39.000 -1.455 0.000 1.106 73 F HN 0.380 nan 8.300 nan 0.000 0.568 74 L N 0.917 122.186 121.223 0.076 0.000 2.474 74 L HA 0.324 4.664 4.340 -0.000 0.000 0.259 74 L C 1.418 178.386 176.870 0.165 0.000 1.232 74 L CA -0.001 54.928 54.840 0.148 0.000 0.821 74 L CB -0.204 41.899 42.059 0.073 0.000 1.108 74 L HN 0.304 nan 8.230 nan 0.000 0.495 75 G N 0.414 109.319 108.800 0.176 0.000 2.599 75 G HA2 0.338 4.298 3.960 -0.000 0.000 0.264 75 G HA3 0.338 4.298 3.960 -0.000 0.000 0.264 75 G C -2.463 172.573 174.900 0.228 0.000 1.200 75 G CA -0.929 44.351 45.100 0.300 0.000 0.896 75 G HN 0.413 nan 8.290 nan 0.000 0.536 76 P HA 0.056 nan 4.420 nan 0.000 0.266 76 P C 0.079 177.481 177.300 0.169 0.000 1.195 76 P CA -0.155 63.043 63.100 0.164 0.000 0.768 76 P CB 0.828 32.620 31.700 0.153 0.000 0.838 77 I N 4.186 124.814 120.570 0.098 0.000 2.664 77 I HA 0.051 4.221 4.170 -0.000 0.000 0.284 77 I C 1.044 177.177 176.117 0.027 0.000 1.154 77 I CA 0.205 61.552 61.300 0.079 0.000 1.402 77 I CB -1.104 36.941 38.000 0.076 0.000 1.395 77 I HN 0.238 nan 8.210 nan 0.000 0.545 78 I N 7.435 127.986 120.570 -0.033 0.000 2.354 78 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 78 I C 0.396 176.427 176.117 -0.143 0.000 0.989 78 I CA -0.620 60.494 61.300 -0.309 0.000 1.188 78 I CB 1.218 38.944 38.000 -0.458 0.000 1.342 78 I HN 0.509 nan 8.210 nan 0.000 0.457 79 K N 4.484 124.860 120.400 -0.040 0.000 2.295 79 K HA 0.937 5.256 4.320 -0.000 0.000 0.239 79 K C -1.101 175.537 176.600 0.064 0.000 0.991 79 K CA -0.914 55.380 56.287 0.012 0.000 0.845 79 K CB 2.691 35.215 32.500 0.040 0.000 1.197 79 K HN 0.696 nan 8.250 nan 0.000 0.441 80 A N 1.699 124.538 122.820 0.031 0.000 2.560 80 A HA 0.275 4.595 4.320 -0.000 0.000 0.300 80 A C -1.514 176.079 177.584 0.016 0.000 1.062 80 A CA -0.819 51.242 52.037 0.039 0.000 0.767 80 A CB 0.785 19.803 19.000 0.030 0.000 1.288 80 A HN 0.701 nan 8.150 nan 0.000 0.396 81 E N 0.701 120.913 120.200 0.019 0.000 2.314 81 E HA 0.504 4.854 4.350 -0.000 0.000 0.262 81 E C -0.014 176.590 176.600 0.006 0.000 1.093 81 E CA -0.462 55.944 56.400 0.011 0.000 0.908 81 E CB 0.775 30.483 29.700 0.013 0.000 1.091 81 E HN 0.579 nan 8.360 nan 0.000 0.425 82 T N 1.166 115.721 114.554 0.002 0.000 2.934 82 T HA 0.268 4.618 4.350 -0.000 0.000 0.306 82 T C 1.096 175.795 174.700 -0.002 0.000 1.042 82 T CA 1.101 63.199 62.100 -0.003 0.000 1.145 82 T CB 0.349 69.214 68.868 -0.004 0.000 0.982 82 T HN 0.809 nan 8.240 nan 0.000 0.544 83 G N 3.063 111.860 108.800 -0.006 0.000 2.194 83 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 83 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 83 G C -0.058 174.841 174.900 -0.001 0.000 0.987 83 G CA -0.194 44.905 45.100 -0.002 0.000 0.635 83 G HN 0.670 nan 8.290 nan 0.000 0.520 84 D N -0.197 120.201 120.400 -0.004 0.000 2.371 84 D HA 0.480 5.120 4.640 -0.000 0.000 0.242 84 D C 0.988 177.266 176.300 -0.036 0.000 1.218 84 D CA 0.097 54.094 54.000 -0.006 0.000 0.945 84 D CB 0.808 41.612 40.800 0.008 0.000 1.137 84 D HN 0.246 nan 8.370 nan 0.000 0.464 85 K N 0.325 120.688 120.400 -0.062 0.000 2.758 85 K HA 0.193 4.513 4.320 -0.000 0.000 0.208 85 K C -0.829 175.565 176.600 -0.343 0.000 1.091 85 K CA -0.306 55.876 56.287 -0.175 0.000 1.059 85 K CB 0.289 32.714 32.500 -0.126 0.000 0.801 85 K HN 0.155 nan 8.250 nan 0.000 0.470 86 V N 2.578 122.383 119.914 -0.183 0.000 2.886 86 V HA -0.232 3.888 4.120 -0.000 0.000 0.294 86 V C -0.310 175.578 176.094 -0.343 0.000 1.219 86 V CA 1.126 63.339 62.300 -0.145 0.000 1.334 86 V CB -0.638 31.172 31.823 -0.021 0.000 0.828 86 V HN 0.197 nan 8.190 nan 0.000 0.480 87 Y N 3.120 123.263 120.300 -0.261 0.000 2.341 87 Y HA 0.594 5.143 4.550 -0.000 0.000 0.338 87 Y C 0.080 175.742 175.900 -0.397 0.000 0.965 87 Y CA -0.754 57.130 58.100 -0.360 0.000 1.108 87 Y CB 2.090 40.230 38.460 -0.532 0.000 1.180 87 Y HN 0.345 nan 8.280 nan 0.000 0.458 88 V N 4.483 124.247 119.914 -0.249 0.000 2.350 88 V HA 0.212 4.332 4.120 -0.000 0.000 0.285 88 V C -0.521 175.416 176.094 -0.261 0.000 1.014 88 V CA -0.930 61.158 62.300 -0.353 0.000 0.831 88 V CB 0.501 31.893 31.823 -0.718 0.000 1.000 88 V HN 0.693 nan 8.190 nan 0.000 0.433 89 H N 5.437 124.497 119.070 -0.016 0.000 2.969 89 H HA 0.309 4.865 4.556 -0.000 0.000 0.269 89 H C -0.223 175.276 175.328 0.285 0.000 1.223 89 H CA -0.285 55.851 56.048 0.146 0.000 1.400 89 H CB 1.360 31.186 29.762 0.106 0.000 1.500 89 H HN 0.416 nan 8.280 nan 0.000 0.486 90 L N 3.134 124.550 121.223 0.321 0.000 2.325 90 L HA 0.352 4.692 4.340 -0.000 0.000 0.279 90 L C -0.117 176.805 176.870 0.088 0.000 1.054 90 L CA -0.284 54.713 54.840 0.261 0.000 0.804 90 L CB 0.985 43.246 42.059 0.336 0.000 1.200 90 L HN 0.397 nan 8.230 nan 0.000 0.436 91 K N 3.990 124.332 120.400 -0.097 0.000 2.578 91 K HA 0.231 4.551 4.320 -0.000 0.000 0.250 91 K C -0.960 175.586 176.600 -0.089 0.000 0.955 91 K CA -0.377 55.708 56.287 -0.338 0.000 0.825 91 K CB 0.989 32.774 32.500 -1.192 0.000 1.151 91 K HN 0.761 nan 8.250 nan 0.000 0.432 92 N N 5.752 124.464 118.700 0.020 0.000 2.605 92 N HA 0.044 4.784 4.740 -0.000 0.000 0.258 92 N C -0.417 175.132 175.510 0.064 0.000 1.156 92 N CA -0.387 52.725 53.050 0.103 0.000 1.008 92 N CB 0.351 38.917 38.487 0.130 0.000 1.354 92 N HN 0.376 nan 8.380 nan 0.000 0.509 93 L N 2.751 124.014 121.223 0.066 0.000 2.922 93 L HA 0.299 4.639 4.340 -0.000 0.000 0.244 93 L C 0.607 177.534 176.870 0.094 0.000 1.324 93 L CA 0.004 54.878 54.840 0.056 0.000 1.172 93 L CB -0.740 41.351 42.059 0.053 0.000 1.545 93 L HN 0.418 nan 8.230 nan 0.000 0.438 94 A N -1.100 121.791 122.820 0.119 0.000 2.437 94 A HA 0.642 4.961 4.320 -0.000 0.000 0.288 94 A C 1.040 178.678 177.584 0.089 0.000 1.201 94 A CA 0.158 52.283 52.037 0.146 0.000 0.795 94 A CB 0.823 20.001 19.000 0.297 0.000 1.359 94 A HN 0.221 nan 8.150 nan 0.000 0.435 95 S N -0.695 115.063 115.700 0.097 0.000 2.603 95 S HA 0.090 4.560 4.470 -0.000 0.000 0.229 95 S C 0.645 175.220 174.600 -0.043 0.000 0.972 95 S CA 0.767 58.992 58.200 0.042 0.000 0.935 95 S CB -0.538 62.705 63.200 0.071 0.000 0.769 95 S HN 0.980 nan 8.310 nan 0.000 0.536 96 R N -0.340 120.065 120.500 -0.160 0.000 2.716 96 R HA 0.482 4.822 4.340 -0.000 0.000 0.271 96 R C -3.602 172.271 176.300 -0.712 0.000 1.028 96 R CA -1.995 53.860 56.100 -0.407 0.000 0.883 96 R CB 0.173 30.148 30.300 -0.541 0.000 1.250 96 R HN -0.088 nan 8.270 nan 0.000 0.465 97 P HA 0.105 nan 4.420 nan 0.000 0.267 97 P C -1.420 175.423 177.300 -0.763 0.000 1.205 97 P CA 0.313 63.038 63.100 -0.625 0.000 0.765 97 P CB 0.253 31.582 31.700 -0.618 0.000 0.828 98 Y N 0.263 120.537 120.300 -0.043 0.000 2.644 98 Y HA 0.583 5.133 4.550 -0.000 0.000 0.338 98 Y C 0.951 176.918 175.900 0.113 0.000 1.119 98 Y CA -0.503 57.625 58.100 0.048 0.000 1.060 98 Y CB 1.808 40.303 38.460 0.060 0.000 1.294 98 Y HN 0.447 nan 8.280 nan 0.000 0.472 99 T N -2.124 112.666 114.554 0.392 0.000 2.778 99 T HA 0.694 5.044 4.350 -0.000 0.000 0.293 99 T C -1.902 173.023 174.700 0.374 0.000 1.144 99 T CA -0.729 61.577 62.100 0.343 0.000 1.010 99 T CB 1.995 71.002 68.868 0.232 0.000 1.325 99 T HN 0.483 nan 8.240 nan 0.000 0.515 100 F N 2.153 122.045 119.950 -0.096 0.000 2.771 100 F HA 0.540 5.067 4.527 -0.000 0.000 0.365 100 F C -0.953 174.514 175.800 -0.554 0.000 1.169 100 F CA -0.663 57.108 58.000 -0.382 0.000 1.093 100 F CB 0.824 39.415 39.000 -0.682 0.000 1.363 100 F HN 0.965 nan 8.300 nan 0.000 0.496 101 H N 3.550 122.243 119.070 -0.629 0.000 2.488 101 H HA 0.606 5.162 4.556 -0.000 0.000 0.322 101 H C -0.685 174.197 175.328 -0.742 0.000 1.078 101 H CA -0.452 55.232 56.048 -0.607 0.000 1.260 101 H CB 1.382 30.904 29.762 -0.399 0.000 1.425 101 H HN 0.528 nan 8.280 nan 0.000 0.471 102 S N 3.451 118.560 115.700 -0.985 0.000 2.651 102 S HA 0.241 4.711 4.470 -0.000 0.000 0.291 102 S C 0.651 174.968 174.600 -0.471 0.000 1.141 102 S CA -0.684 57.111 58.200 -0.674 0.000 1.027 102 S CB 1.474 64.446 63.200 -0.380 0.000 1.043 102 S HN 0.868 nan 8.310 nan 0.000 0.530 103 H N 1.378 120.260 119.070 -0.312 0.000 2.361 103 H HA 0.207 4.763 4.556 -0.000 0.000 0.308 103 H C 1.231 176.571 175.328 0.021 0.000 1.053 103 H CA 0.624 56.614 56.048 -0.097 0.000 1.377 103 H CB 0.121 29.837 29.762 -0.076 0.000 1.434 103 H HN 0.788 nan 8.280 nan 0.000 0.548 104 G N 1.156 110.019 108.800 0.105 0.000 4.477 104 G HA2 0.468 4.428 3.960 -0.000 0.000 0.319 104 G HA3 0.468 4.428 3.960 -0.000 0.000 0.319 104 G C -0.661 174.242 174.900 0.005 0.000 1.391 104 G CA -0.012 45.113 45.100 0.042 0.000 1.261 104 G HN 0.212 nan 8.290 nan 0.000 0.556 105 I N 0.178 120.749 120.570 0.002 0.000 2.897 105 I HA 0.388 4.558 4.170 -0.000 0.000 0.299 105 I C -0.428 175.603 176.117 -0.144 0.000 1.527 105 I CA -0.829 60.459 61.300 -0.021 0.000 0.979 105 I CB 2.294 40.320 38.000 0.044 0.000 1.360 105 I HN 0.228 nan 8.210 nan 0.000 0.495 106 T N 2.561 116.989 114.554 -0.209 0.000 2.909 106 T HA 0.725 5.075 4.350 -0.000 0.000 0.286 106 T C -0.866 173.631 174.700 -0.338 0.000 1.002 106 T CA -0.237 61.591 62.100 -0.453 0.000 1.074 106 T CB 1.200 69.863 68.868 -0.342 0.000 0.984 106 T HN 0.578 nan 8.240 nan 0.000 0.495 107 Y N -1.708 118.470 120.300 -0.205 0.000 2.779 107 Y HA 0.634 5.184 4.550 -0.000 0.000 0.340 107 Y C -1.689 174.112 175.900 -0.166 0.000 1.252 107 Y CA -2.175 55.862 58.100 -0.104 0.000 1.072 107 Y CB 0.322 38.889 38.460 0.180 0.000 1.343 107 Y HN 0.598 nan 8.280 nan 0.000 0.450 108 Y N 0.523 121.133 120.300 0.517 0.000 2.480 108 Y HA 0.482 5.032 4.550 -0.000 0.000 0.323 108 Y C 1.296 177.381 175.900 0.308 0.000 1.267 108 Y CA -1.379 56.929 58.100 0.346 0.000 1.336 108 Y CB 0.696 39.265 38.460 0.182 0.000 1.361 108 Y HN 0.456 nan 8.280 nan 0.000 0.518 109 K N 0.480 120.990 120.400 0.183 0.000 2.360 109 K HA -0.162 4.158 4.320 -0.000 0.000 0.201 109 K C 0.598 177.114 176.600 -0.139 0.000 1.046 109 K CA 1.197 57.426 56.287 -0.096 0.000 0.940 109 K CB -0.262 32.026 32.500 -0.355 0.000 0.748 109 K HN 0.771 nan 8.250 nan 0.000 0.465 110 E N -0.828 119.280 120.200 -0.153 0.000 2.489 110 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 110 E C 0.272 176.620 176.600 -0.421 0.000 1.057 110 E CA 0.424 56.624 56.400 -0.333 0.000 0.866 110 E CB 0.089 29.536 29.700 -0.421 0.000 0.916 110 E HN 0.492 nan 8.360 nan 0.000 0.500 111 H N -1.269 117.912 119.070 0.186 0.000 3.124 111 H HA 0.192 4.748 4.556 -0.000 0.000 0.250 111 H C 0.926 176.232 175.328 -0.037 0.000 1.184 111 H CA -0.192 55.979 56.048 0.205 0.000 1.013 111 H CB 0.733 30.709 29.762 0.357 0.000 1.891 111 H HN 0.012 nan 8.280 nan 0.000 0.687 112 E N 1.142 121.368 120.200 0.044 0.000 2.112 112 E HA -0.004 4.345 4.350 -0.000 0.000 0.190 112 E C 1.235 177.772 176.600 -0.106 0.000 0.979 112 E CA 0.716 57.035 56.400 -0.134 0.000 0.814 112 E CB 0.098 29.896 29.700 0.163 0.000 0.762 112 E HN 0.571 nan 8.360 nan 0.000 0.460 113 G N 0.877 109.687 108.800 0.017 0.000 2.314 113 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.292 113 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.292 113 G C -0.244 174.606 174.900 -0.084 0.000 1.059 113 G CA 0.446 45.601 45.100 0.092 0.000 0.982 113 G HN 0.519 nan 8.290 nan 0.000 0.505 114 A N -0.453 122.235 122.820 -0.220 0.000 2.520 114 A HA 0.824 5.144 4.320 -0.000 0.000 0.298 114 A C -0.568 176.887 177.584 -0.215 0.000 1.051 114 A CA -0.371 51.449 52.037 -0.362 0.000 0.690 114 A CB 1.735 20.246 19.000 -0.815 0.000 1.281 114 A HN 1.373 nan 8.150 nan 0.000 0.402 115 I N 2.735 123.281 120.570 -0.041 0.000 2.406 115 I HA 0.791 4.961 4.170 -0.000 0.000 0.290 115 I C -1.498 174.681 176.117 0.104 0.000 0.999 115 I CA -0.703 60.557 61.300 -0.067 0.000 1.124 115 I CB 1.186 39.164 38.000 -0.037 0.000 1.289 115 I HN 0.818 nan 8.210 nan 0.000 0.441 116 Y N 4.085 124.285 120.300 -0.166 0.000 2.732 116 Y HA 0.472 5.021 4.550 -0.000 0.000 0.342 116 Y C -3.016 172.708 175.900 -0.294 0.000 1.203 116 Y CA -2.728 55.224 58.100 -0.246 0.000 1.092 116 Y CB 0.156 38.548 38.460 -0.113 0.000 1.345 116 Y HN 0.287 nan 8.280 nan 0.000 0.458 117 P HA 0.127 nan 4.420 nan 0.000 0.263 117 P C -0.469 176.800 177.300 -0.052 0.000 1.345 117 P CA 0.483 63.394 63.100 -0.314 0.000 1.119 117 P CB 0.032 31.374 31.700 -0.596 0.000 1.363 118 D N 0.911 121.203 120.400 -0.181 0.000 2.501 118 D HA 0.044 4.684 4.640 -0.000 0.000 0.226 118 D C 0.181 176.381 176.300 -0.167 0.000 1.198 118 D CA -0.714 53.193 54.000 -0.154 0.000 0.830 118 D CB -0.763 39.766 40.800 -0.451 0.000 1.014 118 D HN -0.073 nan 8.370 nan 0.000 0.496 119 N N 0.335 118.961 118.700 -0.123 0.000 2.693 119 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 119 N C -0.413 175.013 175.510 -0.142 0.000 1.119 119 N CA 1.491 54.478 53.050 -0.106 0.000 0.717 119 N CB -1.769 36.685 38.487 -0.055 0.000 1.071 119 N HN 0.670 nan 8.380 nan 0.000 0.555 120 T N -4.714 109.715 114.554 -0.209 0.000 2.881 120 T HA 0.581 4.931 4.350 -0.000 0.000 0.278 120 T C 0.655 175.244 174.700 -0.185 0.000 0.982 120 T CA -0.442 61.515 62.100 -0.238 0.000 0.989 120 T CB 2.527 71.186 68.868 -0.349 0.000 1.058 120 T HN 0.050 nan 8.240 nan 0.000 0.529 121 T N -1.083 113.358 114.554 -0.189 0.000 2.926 121 T HA 0.278 4.628 4.350 -0.000 0.000 0.289 121 T C 0.890 175.534 174.700 -0.093 0.000 1.054 121 T CA -0.652 61.405 62.100 -0.072 0.000 1.015 121 T CB 1.162 70.074 68.868 0.074 0.000 1.167 121 T HN 0.683 nan 8.240 nan 0.000 0.526 122 D N 1.008 121.431 120.400 0.039 0.000 2.248 122 D HA -0.199 4.441 4.640 -0.000 0.000 0.189 122 D C 1.772 178.125 176.300 0.088 0.000 1.011 122 D CA 2.172 56.212 54.000 0.066 0.000 0.868 122 D CB -0.313 40.551 40.800 0.106 0.000 0.931 122 D HN 0.697 nan 8.370 nan 0.000 0.449 123 F N 0.816 120.746 119.950 -0.033 0.000 2.333 123 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 123 F C 2.025 177.804 175.800 -0.036 0.000 1.083 123 F CA 0.756 58.739 58.000 -0.027 0.000 1.395 123 F CB -1.049 37.931 39.000 -0.034 0.000 1.056 123 F HN -0.061 nan 8.300 nan 0.000 0.529 124 Q N -0.172 119.208 119.800 -0.699 0.000 2.360 124 Q HA 0.188 4.527 4.340 -0.000 0.000 0.202 124 Q C 1.452 177.245 176.000 -0.345 0.000 0.915 124 Q CA 0.012 55.456 55.803 -0.598 0.000 0.943 124 Q CB 0.150 28.401 28.738 -0.810 0.000 1.064 124 Q HN 0.448 nan 8.270 nan 0.000 0.511 125 R N -0.606 119.752 120.500 -0.238 0.000 2.468 125 R HA 0.265 4.605 4.340 -0.000 0.000 0.280 125 R C 1.340 177.581 176.300 -0.098 0.000 0.963 125 R CA 0.167 56.161 56.100 -0.177 0.000 1.083 125 R CB 0.498 30.707 30.300 -0.151 0.000 1.200 125 R HN 0.095 nan 8.270 nan 0.000 0.541 126 A N 1.716 124.515 122.820 -0.034 0.000 1.929 126 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 126 A C 1.632 179.150 177.584 -0.109 0.000 1.176 126 A CA 1.669 53.759 52.037 0.089 0.000 0.628 126 A CB -0.099 19.093 19.000 0.320 0.000 0.816 126 A HN 0.355 nan 8.150 nan 0.000 0.444 127 D N 0.224 120.351 120.400 -0.456 0.000 2.137 127 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 127 D C 0.627 176.751 176.300 -0.292 0.000 0.970 127 D CA 1.192 54.665 54.000 -0.879 0.000 0.837 127 D CB -0.917 39.428 40.800 -0.758 0.000 0.981 127 D HN 0.321 nan 8.370 nan 0.000 0.475 128 D N 0.577 120.849 120.400 -0.214 0.000 2.384 128 D HA -0.089 4.551 4.640 -0.000 0.000 0.222 128 D C 0.594 176.830 176.300 -0.107 0.000 0.976 128 D CA 0.868 54.776 54.000 -0.154 0.000 0.915 128 D CB 0.124 40.791 40.800 -0.222 0.000 0.896 128 D HN 0.406 nan 8.370 nan 0.000 0.523 129 K N 0.471 120.803 120.400 -0.114 0.000 2.713 129 K HA 0.154 4.474 4.320 -0.000 0.000 0.304 129 K C -1.693 174.789 176.600 -0.197 0.000 1.240 129 K CA -0.269 55.925 56.287 -0.157 0.000 1.080 129 K CB 0.987 33.346 32.500 -0.235 0.000 1.387 129 K HN -0.297 nan 8.250 nan 0.000 0.527 130 V N 5.298 125.158 119.914 -0.091 0.000 2.427 130 V HA 0.210 4.330 4.120 -0.000 0.000 0.268 130 V C -0.186 175.841 176.094 -0.111 0.000 1.046 130 V CA -0.184 62.111 62.300 -0.008 0.000 0.970 130 V CB -0.117 31.782 31.823 0.127 0.000 1.001 130 V HN 0.489 nan 8.190 nan 0.000 0.476 131 Y N 6.056 126.348 120.300 -0.013 0.000 2.299 131 Y HA 0.284 4.834 4.550 -0.000 0.000 0.335 131 Y C -1.725 174.149 175.900 -0.044 0.000 1.287 131 Y CA -2.102 55.965 58.100 -0.055 0.000 1.424 131 Y CB 0.255 38.686 38.460 -0.048 0.000 1.326 131 Y HN 0.466 nan 8.280 nan 0.000 0.567 132 P HA 0.049 nan 4.420 nan 0.000 0.264 132 P C 0.556 177.891 177.300 0.057 0.000 1.193 132 P CA 1.857 64.990 63.100 0.055 0.000 0.763 132 P CB 0.430 32.149 31.700 0.031 0.000 0.810 133 G N 1.980 110.798 108.800 0.030 0.000 2.284 133 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.247 133 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.247 133 G C 0.147 175.051 174.900 0.006 0.000 1.012 133 G CA -0.215 44.888 45.100 0.006 0.000 0.618 133 G HN 0.552 nan 8.290 nan 0.000 0.521 134 E N 0.460 120.690 120.200 0.049 0.000 2.374 134 E HA 0.507 4.857 4.350 -0.000 0.000 0.260 134 E C 0.175 176.799 176.600 0.040 0.000 1.101 134 E CA -0.055 56.383 56.400 0.063 0.000 0.907 134 E CB 0.846 30.628 29.700 0.137 0.000 1.014 134 E HN 0.460 nan 8.360 nan 0.000 0.427 135 Q N 1.329 121.152 119.800 0.039 0.000 2.413 135 Q HA 0.420 4.760 4.340 -0.000 0.000 0.276 135 Q C -2.022 174.045 176.000 0.111 0.000 1.099 135 Q CA -0.815 55.004 55.803 0.026 0.000 0.814 135 Q CB 1.485 30.205 28.738 -0.030 0.000 1.379 135 Q HN 0.549 nan 8.270 nan 0.000 0.436 136 Y N 0.632 120.949 120.300 0.027 0.000 2.436 136 Y HA 0.328 4.878 4.550 -0.000 0.000 0.327 136 Y C -1.366 174.526 175.900 -0.013 0.000 1.138 136 Y CA -0.538 57.538 58.100 -0.039 0.000 1.042 136 Y CB 2.099 40.456 38.460 -0.172 0.000 1.302 136 Y HN 0.597 nan 8.280 nan 0.000 0.439 137 T N 4.402 118.927 114.554 -0.049 0.000 2.758 137 T HA 0.498 4.847 4.350 -0.000 0.000 0.285 137 T C -1.271 173.551 174.700 0.202 0.000 0.981 137 T CA -0.211 61.976 62.100 0.144 0.000 0.965 137 T CB -0.039 68.948 68.868 0.198 0.000 0.927 137 T HN 0.442 nan 8.240 nan 0.000 0.448 138 Y N 3.952 124.371 120.300 0.199 0.000 2.316 138 Y HA 0.420 4.970 4.550 -0.000 0.000 0.331 138 Y C 0.659 176.440 175.900 -0.198 0.000 1.083 138 Y CA -0.827 57.336 58.100 0.105 0.000 1.206 138 Y CB 1.272 39.753 38.460 0.035 0.000 1.195 138 Y HN 0.605 nan 8.280 nan 0.000 0.497 139 M N 5.839 125.146 119.600 -0.489 0.000 2.205 139 M HA 0.568 5.048 4.480 -0.000 0.000 0.344 139 M C -2.000 174.131 176.300 -0.282 0.000 1.085 139 M CA -0.346 54.654 55.300 -0.499 0.000 1.001 139 M CB 0.596 32.895 32.600 -0.501 0.000 1.626 139 M HN 0.613 nan 8.290 nan 0.000 0.442 140 L N 4.810 125.902 121.223 -0.220 0.000 2.341 140 L HA 0.641 4.981 4.340 -0.000 0.000 0.267 140 L C -1.237 175.582 176.870 -0.086 0.000 1.009 140 L CA -1.111 53.713 54.840 -0.028 0.000 0.819 140 L CB 2.117 44.194 42.059 0.030 0.000 1.323 140 L HN 0.570 nan 8.230 nan 0.000 0.425 141 L N 2.056 123.266 121.223 -0.021 0.000 2.349 141 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 141 L C 0.052 176.896 176.870 -0.043 0.000 0.996 141 L CA -0.343 54.470 54.840 -0.045 0.000 0.825 141 L CB 1.682 43.722 42.059 -0.032 0.000 1.243 141 L HN 0.766 nan 8.230 nan 0.000 0.412 142 A N 3.289 126.087 122.820 -0.037 0.000 2.805 142 A HA 0.455 4.775 4.320 -0.000 0.000 0.301 142 A C 0.798 178.365 177.584 -0.029 0.000 1.557 142 A CA -0.330 51.689 52.037 -0.029 0.000 1.254 142 A CB -0.642 18.347 19.000 -0.018 0.000 1.114 142 A HN 0.734 nan 8.150 nan 0.000 0.553 143 T N -0.552 113.978 114.554 -0.041 0.000 2.788 143 T HA 0.255 4.605 4.350 -0.000 0.000 0.287 143 T C 0.780 175.463 174.700 -0.029 0.000 1.007 143 T CA -0.296 61.782 62.100 -0.037 0.000 1.005 143 T CB 0.839 69.677 68.868 -0.051 0.000 1.012 143 T HN 0.605 nan 8.240 nan 0.000 0.530 144 E N 0.283 120.467 120.200 -0.028 0.000 2.274 144 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 144 E C 1.777 178.360 176.600 -0.029 0.000 0.996 144 E CA 0.695 57.078 56.400 -0.029 0.000 0.840 144 E CB -0.023 29.656 29.700 -0.036 0.000 0.772 144 E HN 0.702 nan 8.360 nan 0.000 0.491 145 E N 1.000 121.184 120.200 -0.027 0.000 2.106 145 E HA -0.117 4.232 4.350 -0.000 0.000 0.192 145 E C 1.723 178.324 176.600 0.003 0.000 0.984 145 E CA 0.827 57.224 56.400 -0.005 0.000 0.806 145 E CB 0.115 29.825 29.700 0.017 0.000 0.750 145 E HN 0.165 nan 8.360 nan 0.000 0.458 146 Q N 0.192 119.981 119.800 -0.019 0.000 2.360 146 Q HA 0.136 4.475 4.340 -0.000 0.000 0.202 146 Q C 0.426 176.419 176.000 -0.012 0.000 0.915 146 Q CA 0.023 55.811 55.803 -0.025 0.000 0.943 146 Q CB 0.584 29.293 28.738 -0.047 0.000 1.064 146 Q HN 0.053 nan 8.270 nan 0.000 0.511 147 S N 3.104 118.800 115.700 -0.007 0.000 2.560 147 S HA 0.111 4.581 4.470 -0.000 0.000 0.284 147 S C -2.144 172.464 174.600 0.013 0.000 1.327 147 S CA -1.108 57.092 58.200 -0.000 0.000 1.055 147 S CB 0.468 63.665 63.200 -0.005 0.000 0.868 147 S HN 0.029 nan 8.310 nan 0.000 0.506 148 P HA 0.124 nan 4.420 nan 0.000 0.265 148 P C 0.548 177.872 177.300 0.040 0.000 1.193 148 P CA -0.037 63.084 63.100 0.035 0.000 0.765 148 P CB -0.162 31.559 31.700 0.035 0.000 0.823 149 G N 2.166 111.006 108.800 0.066 0.000 2.670 149 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.233 149 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.233 149 G C 0.904 175.828 174.900 0.040 0.000 1.251 149 G CA -0.212 44.929 45.100 0.067 0.000 0.849 149 G HN 0.660 nan 8.290 nan 0.000 0.588 150 E N 0.343 120.543 120.200 0.001 0.000 2.267 150 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 150 E C 1.983 178.578 176.600 -0.008 0.000 0.998 150 E CA 1.058 57.447 56.400 -0.018 0.000 0.830 150 E CB -0.190 29.481 29.700 -0.050 0.000 0.751 150 E HN 0.525 nan 8.360 nan 0.000 0.491 151 G N -0.079 108.736 108.800 0.024 0.000 3.651 151 G HA2 0.042 4.002 3.960 -0.000 0.000 0.279 151 G HA3 0.042 4.002 3.960 -0.000 0.000 0.279 151 G C -0.114 174.889 174.900 0.171 0.000 1.024 151 G CA -0.411 44.733 45.100 0.074 0.000 0.813 151 G HN 0.041 nan 8.290 nan 0.000 0.518 152 D N 0.258 120.734 120.400 0.126 0.000 2.423 152 D HA 0.409 5.049 4.640 -0.000 0.000 0.255 152 D C 1.177 177.480 176.300 0.006 0.000 1.174 152 D CA -0.012 54.019 54.000 0.051 0.000 1.008 152 D CB 1.677 42.510 40.800 0.055 0.000 1.101 152 D HN 0.079 nan 8.370 nan 0.000 0.516 153 G N -0.053 108.737 108.800 -0.017 0.000 2.447 153 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.269 153 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.269 153 G C 0.908 175.816 174.900 0.013 0.000 1.455 153 G CA -0.051 45.039 45.100 -0.018 0.000 1.061 153 G HN 0.405 nan 8.290 nan 0.000 0.545 154 N N -1.769 116.947 118.700 0.026 0.000 2.395 154 N HA 0.002 4.741 4.740 -0.000 0.000 0.175 154 N C -0.328 175.219 175.510 0.061 0.000 1.029 154 N CA 0.429 53.500 53.050 0.036 0.000 0.897 154 N CB 0.142 38.647 38.487 0.031 0.000 0.991 154 N HN 0.185 nan 8.380 nan 0.000 0.441 155 c N 1.762 120.432 118.600 0.116 0.000 2.442 155 c HA 0.430 5.000 4.570 -0.000 0.000 0.335 155 c C 0.370 174.605 174.090 0.242 0.000 1.134 155 c CA -1.025 55.386 56.329 0.137 0.000 1.344 155 c CB -0.129 42.472 42.510 0.150 0.000 1.956 155 c HN 0.097 nan 8.230 nan 0.000 0.438 156 V N 2.612 122.609 119.914 0.138 0.000 3.295 156 V HA 0.795 4.915 4.120 -0.000 0.000 0.308 156 V C 0.410 176.591 176.094 0.145 0.000 1.068 156 V CA -0.274 62.126 62.300 0.166 0.000 1.062 156 V CB 1.323 33.194 31.823 0.080 0.000 1.162 156 V HN 0.791 nan 8.190 nan 0.000 0.456 157 T N 1.706 116.375 114.554 0.192 0.000 2.771 157 T HA 0.668 5.018 4.350 -0.000 0.000 0.281 157 T C -0.340 174.355 174.700 -0.008 0.000 0.982 157 T CA -0.735 61.439 62.100 0.123 0.000 0.978 157 T CB 0.825 69.914 68.868 0.368 0.000 0.930 157 T HN 0.831 nan 8.240 nan 0.000 0.447 158 R N 2.839 123.270 120.500 -0.115 0.000 2.905 158 R HA 0.719 5.059 4.340 -0.000 0.000 0.260 158 R C -0.326 175.757 176.300 -0.363 0.000 1.086 158 R CA -0.927 55.061 56.100 -0.187 0.000 0.978 158 R CB 1.374 31.617 30.300 -0.095 0.000 1.215 158 R HN 0.921 nan 8.270 nan 0.000 0.480 159 I N -1.873 118.418 120.570 -0.466 0.000 2.969 159 I HA 0.640 4.810 4.170 -0.000 0.000 0.307 159 I C -1.253 174.639 176.117 -0.375 0.000 1.149 159 I CA -1.288 59.641 61.300 -0.618 0.000 1.008 159 I CB 2.471 39.886 38.000 -0.976 0.000 1.232 159 I HN 0.526 nan 8.210 nan 0.000 0.435 160 Y N 1.533 121.615 120.300 -0.363 0.000 2.499 160 Y HA 0.902 5.452 4.550 -0.000 0.000 0.347 160 Y C -0.778 174.987 175.900 -0.224 0.000 0.987 160 Y CA -0.819 56.986 58.100 -0.491 0.000 1.044 160 Y CB 0.946 38.890 38.460 -0.860 0.000 1.245 160 Y HN 0.940 nan 8.280 nan 0.000 0.461 161 H N -1.252 117.779 119.070 -0.065 0.000 3.003 161 H HA 0.573 5.129 4.556 -0.000 0.000 0.327 161 H C -1.313 174.159 175.328 0.241 0.000 1.353 161 H CA -1.083 55.051 56.048 0.143 0.000 1.142 161 H CB 1.038 30.852 29.762 0.087 0.000 1.864 161 H HN 0.777 nan 8.280 nan 0.000 0.529 162 S N -0.473 115.480 115.700 0.422 0.000 2.603 162 S HA 0.120 4.590 4.470 -0.000 0.000 0.268 162 S C -0.234 174.563 174.600 0.330 0.000 1.317 162 S CA -0.327 58.084 58.200 0.352 0.000 1.012 162 S CB 0.143 63.531 63.200 0.312 0.000 0.926 162 S HN 0.811 nan 8.310 nan 0.000 0.539 163 H N 3.949 123.135 119.070 0.195 0.000 2.907 163 H HA 0.323 4.879 4.556 -0.000 0.000 0.233 163 H C 0.688 176.106 175.328 0.149 0.000 1.285 163 H CA -0.281 55.862 56.048 0.158 0.000 0.981 163 H CB -0.130 29.643 29.762 0.019 0.000 2.255 163 H HN 0.479 nan 8.280 nan 0.000 0.601 164 I N -0.247 120.513 120.570 0.316 0.000 2.206 164 I HA -0.073 4.096 4.170 -0.000 0.000 0.239 164 I C 0.754 177.039 176.117 0.279 0.000 1.078 164 I CA 1.167 62.614 61.300 0.246 0.000 1.367 164 I CB -0.068 38.034 38.000 0.171 0.000 1.078 164 I HN 0.258 nan 8.210 nan 0.000 0.413 165 D N 0.591 121.175 120.400 0.308 0.000 2.375 165 D HA 0.391 5.031 4.640 -0.000 0.000 0.259 165 D C 0.866 177.229 176.300 0.105 0.000 1.235 165 D CA -0.097 54.034 54.000 0.218 0.000 0.924 165 D CB 1.633 42.630 40.800 0.327 0.000 1.143 165 D HN 0.088 nan 8.370 nan 0.000 0.529 166 A N 4.903 127.677 122.820 -0.078 0.000 1.892 166 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 166 A C -0.657 176.871 177.584 -0.093 0.000 1.188 166 A CA 1.362 53.341 52.037 -0.098 0.000 0.631 166 A CB -1.180 17.632 19.000 -0.314 0.000 0.822 166 A HN 0.444 nan 8.150 nan 0.000 0.447 167 P HA -0.190 nan 4.420 nan 0.000 0.214 167 P C 1.400 178.580 177.300 -0.200 0.000 1.163 167 P CA 1.744 64.723 63.100 -0.200 0.000 0.889 167 P CB -0.069 31.510 31.700 -0.201 0.000 0.790 168 K N -0.780 119.495 120.400 -0.209 0.000 2.025 168 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 168 K C 1.760 178.162 176.600 -0.330 0.000 1.049 168 K CA 1.654 57.687 56.287 -0.424 0.000 0.933 168 K CB -0.716 31.241 32.500 -0.905 0.000 0.714 168 K HN 0.084 nan 8.250 nan 0.000 0.438 169 D N 0.885 121.274 120.400 -0.018 0.000 2.149 169 D HA -0.135 4.504 4.640 -0.000 0.000 0.198 169 D C 1.768 178.063 176.300 -0.009 0.000 0.990 169 D CA 1.039 55.131 54.000 0.154 0.000 0.839 169 D CB -0.098 40.876 40.800 0.289 0.000 0.948 169 D HN 0.218 nan 8.370 nan 0.000 0.460 170 I N 0.306 120.860 120.570 -0.026 0.000 2.406 170 I HA -0.101 4.069 4.170 -0.000 0.000 0.249 170 I C 2.369 178.437 176.117 -0.082 0.000 1.122 170 I CA 0.632 61.911 61.300 -0.035 0.000 1.431 170 I CB -0.200 37.772 38.000 -0.048 0.000 1.087 170 I HN -0.082 nan 8.210 nan 0.000 0.424 171 A N 0.392 123.143 122.820 -0.115 0.000 1.933 171 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 171 A C 2.452 179.944 177.584 -0.153 0.000 1.175 171 A CA 1.978 53.952 52.037 -0.105 0.000 0.628 171 A CB -0.696 18.264 19.000 -0.066 0.000 0.814 171 A HN 0.353 nan 8.150 nan 0.000 0.444 172 S N -1.795 113.793 115.700 -0.188 0.000 2.440 172 S HA 0.173 4.643 4.470 -0.000 0.000 0.238 172 S C 1.469 175.918 174.600 -0.252 0.000 1.010 172 S CA 1.415 59.504 58.200 -0.184 0.000 0.972 172 S CB -0.111 63.002 63.200 -0.146 0.000 0.774 172 S HN 1.615 nan 8.310 nan 0.000 0.501 173 G N -0.068 108.532 108.800 -0.333 0.000 2.198 173 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.156 173 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.156 173 G C -0.103 174.594 174.900 -0.337 0.000 1.012 173 G CA -0.612 44.136 45.100 -0.586 0.000 0.692 173 G HN 0.371 nan 8.290 nan 0.000 0.492 174 L N 1.542 122.644 121.223 -0.200 0.000 2.358 174 L HA 0.780 5.120 4.340 -0.000 0.000 0.274 174 L C 0.112 177.166 176.870 0.307 0.000 1.136 174 L CA -0.402 54.391 54.840 -0.078 0.000 0.970 174 L CB 0.764 42.620 42.059 -0.338 0.000 1.314 174 L HN 0.344 nan 8.230 nan 0.000 0.427 175 I N 1.174 121.950 120.570 0.343 0.000 2.753 175 I HA 0.741 4.911 4.170 -0.000 0.000 0.291 175 I C -0.810 175.262 176.117 -0.075 0.000 1.425 175 I CA -0.145 61.246 61.300 0.152 0.000 1.039 175 I CB 1.934 39.992 38.000 0.098 0.000 1.349 175 I HN 0.406 nan 8.210 nan 0.000 0.430 176 G N 5.329 113.687 108.800 -0.736 0.000 2.695 176 G HA2 0.733 4.693 3.960 -0.000 0.000 0.290 176 G HA3 0.733 4.693 3.960 -0.000 0.000 0.290 176 G C -3.445 170.844 174.900 -1.018 0.000 1.410 176 G CA -1.361 43.202 45.100 -0.894 0.000 0.844 176 G HN 0.319 nan 8.290 nan 0.000 0.478 177 P HA 0.466 nan 4.420 nan 0.000 0.284 177 P C -0.962 176.247 177.300 -0.152 0.000 1.253 177 P CA -0.527 62.414 63.100 -0.264 0.000 0.800 177 P CB 1.578 33.276 31.700 -0.002 0.000 0.961 178 L N 4.556 125.688 121.223 -0.151 0.000 2.415 178 L HA 0.492 4.832 4.340 -0.000 0.000 0.268 178 L C -1.528 175.267 176.870 -0.125 0.000 0.984 178 L CA -0.615 54.190 54.840 -0.059 0.000 0.853 178 L CB 0.585 42.633 42.059 -0.018 0.000 1.215 178 L HN 0.121 nan 8.230 nan 0.000 0.419 179 I N 6.167 126.649 120.570 -0.147 0.000 2.315 179 I HA 0.405 4.574 4.170 -0.000 0.000 0.291 179 I C -0.269 175.771 176.117 -0.129 0.000 1.006 179 I CA -0.161 61.004 61.300 -0.226 0.000 1.265 179 I CB 1.296 39.067 38.000 -0.383 0.000 1.387 179 I HN 0.370 nan 8.210 nan 0.000 0.475 180 I N 5.999 126.515 120.570 -0.090 0.000 2.339 180 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 180 I C -0.133 175.974 176.117 -0.016 0.000 0.994 180 I CA -0.238 61.039 61.300 -0.040 0.000 1.191 180 I CB 1.243 39.229 38.000 -0.023 0.000 1.343 180 I HN 0.497 nan 8.210 nan 0.000 0.458 181 c N 6.579 125.175 118.600 -0.007 0.000 2.358 181 c HA 0.445 5.015 4.570 -0.000 0.000 0.354 181 c C 0.989 175.086 174.090 0.010 0.000 1.183 181 c CA -0.628 55.708 56.329 0.011 0.000 2.150 181 c CB 1.770 44.288 42.510 0.013 0.000 2.361 181 c HN 0.784 nan 8.230 nan 0.000 0.535 182 K N 2.036 122.445 120.400 0.014 0.000 2.525 182 K HA 0.257 4.576 4.320 -0.000 0.000 0.262 182 K C 1.085 177.689 176.600 0.006 0.000 1.049 182 K CA -0.555 55.737 56.287 0.008 0.000 0.961 182 K CB 0.422 32.927 32.500 0.008 0.000 1.258 182 K HN 0.471 nan 8.250 nan 0.000 0.501 183 K N 0.745 121.147 120.400 0.003 0.000 1.986 183 K HA -0.227 4.093 4.320 -0.000 0.000 0.230 183 K C 0.289 176.892 176.600 0.005 0.000 1.048 183 K CA 2.586 58.875 56.287 0.003 0.000 1.008 183 K CB -0.543 31.958 32.500 0.001 0.000 0.737 183 K HN 0.829 nan 8.250 nan 0.000 0.447 184 D N -1.152 119.250 120.400 0.003 0.000 2.886 184 D HA 0.125 4.764 4.640 -0.000 0.000 0.355 184 D C 0.296 176.594 176.300 -0.003 0.000 1.274 184 D CA -0.255 53.746 54.000 0.001 0.000 0.836 184 D CB 0.957 41.757 40.800 0.001 0.000 1.109 184 D HN -0.037 nan 8.370 nan 0.000 0.488 185 S N -0.423 115.278 115.700 0.001 0.000 2.371 185 S HA -0.007 4.462 4.470 -0.000 0.000 0.224 185 S C 0.847 175.441 174.600 -0.009 0.000 1.029 185 S CA 0.028 58.228 58.200 0.000 0.000 0.978 185 S CB -0.017 63.192 63.200 0.014 0.000 0.833 185 S HN 0.247 nan 8.310 nan 0.000 0.466 186 L N 2.512 123.734 121.223 -0.001 0.000 2.453 186 L HA 0.518 4.858 4.340 -0.000 0.000 0.261 186 L C -0.358 176.504 176.870 -0.013 0.000 1.179 186 L CA 0.268 55.108 54.840 -0.000 0.000 0.813 186 L CB 0.503 42.571 42.059 0.014 0.000 1.110 186 L HN 0.224 nan 8.230 nan 0.000 0.466 187 D N 1.411 121.804 120.400 -0.013 0.000 2.312 187 D HA 0.239 4.879 4.640 -0.000 0.000 0.229 187 D C -0.670 175.627 176.300 -0.004 0.000 1.337 187 D CA -0.374 53.616 54.000 -0.017 0.000 0.964 187 D CB 0.161 40.934 40.800 -0.044 0.000 1.456 187 D HN 0.367 nan 8.370 nan 0.000 0.547 188 K N 2.667 123.072 120.400 0.007 0.000 3.263 188 K HA -0.143 4.177 4.320 -0.000 0.000 0.277 188 K C -0.216 176.398 176.600 0.023 0.000 1.207 188 K CA 0.889 57.185 56.287 0.014 0.000 0.818 188 K CB -1.540 30.968 32.500 0.012 0.000 1.313 188 K HN 0.627 nan 8.250 nan 0.000 0.512 189 E N -0.933 119.284 120.200 0.028 0.000 2.440 189 E HA -0.286 4.064 4.350 -0.000 0.000 0.246 189 E C -0.444 176.180 176.600 0.041 0.000 1.165 189 E CA 1.637 58.062 56.400 0.042 0.000 0.726 189 E CB -0.443 29.293 29.700 0.059 0.000 1.271 189 E HN 0.453 nan 8.360 nan 0.000 0.397 190 K N 0.738 121.156 120.400 0.030 0.000 2.546 190 K HA 0.238 4.557 4.320 -0.000 0.000 0.264 190 K C -0.797 175.817 176.600 0.024 0.000 0.937 190 K CA -0.569 55.738 56.287 0.034 0.000 0.833 190 K CB 1.776 34.294 32.500 0.030 0.000 1.378 190 K HN 0.068 nan 8.250 nan 0.000 0.432 191 E N 2.799 123.026 120.200 0.043 0.000 2.465 191 E HA -0.068 4.282 4.350 -0.000 0.000 0.260 191 E C 0.520 177.107 176.600 -0.021 0.000 0.980 191 E CA 0.422 56.840 56.400 0.031 0.000 0.927 191 E CB 0.737 30.484 29.700 0.078 0.000 0.934 191 E HN 0.482 nan 8.360 nan 0.000 0.459 192 K N 2.133 122.481 120.400 -0.088 0.000 2.207 192 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 192 K C 0.466 176.801 176.600 -0.442 0.000 1.046 192 K CA 1.688 57.816 56.287 -0.265 0.000 0.929 192 K CB -0.163 32.142 32.500 -0.325 0.000 0.720 192 K HN 0.581 nan 8.250 nan 0.000 0.463 193 H N -1.605 117.485 119.070 0.035 0.000 2.651 193 H HA 0.226 4.781 4.556 -0.000 0.000 0.241 193 H C -1.088 174.282 175.328 0.070 0.000 1.225 193 H CA -0.674 55.400 56.048 0.043 0.000 0.942 193 H CB 0.541 30.320 29.762 0.029 0.000 1.996 193 H HN -0.088 nan 8.280 nan 0.000 0.600 194 I N 0.028 120.687 120.570 0.148 0.000 2.750 194 I HA 0.136 4.306 4.170 -0.000 0.000 0.308 194 I C 0.592 176.772 176.117 0.105 0.000 1.016 194 I CA -0.319 61.071 61.300 0.149 0.000 1.098 194 I CB 1.777 39.854 38.000 0.128 0.000 1.279 194 I HN 0.113 nan 8.210 nan 0.000 0.454 195 D N 1.222 121.677 120.400 0.092 0.000 2.566 195 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 195 D C 0.302 176.611 176.300 0.015 0.000 0.992 195 D CA 0.829 54.866 54.000 0.062 0.000 0.940 195 D CB 0.277 41.121 40.800 0.074 0.000 1.095 195 D HN 0.153 nan 8.370 nan 0.000 0.480 196 R N 0.426 120.918 120.500 -0.012 0.000 2.670 196 R HA 0.496 4.835 4.340 -0.000 0.000 0.289 196 R C -0.933 175.236 176.300 -0.218 0.000 0.965 196 R CA -0.371 55.641 56.100 -0.148 0.000 0.899 196 R CB 1.830 32.118 30.300 -0.019 0.000 1.173 196 R HN -0.122 nan 8.270 nan 0.000 0.456 197 E N 2.995 122.963 120.200 -0.386 0.000 2.224 197 E HA 0.391 4.741 4.350 -0.000 0.000 0.265 197 E C -1.019 175.269 176.600 -0.520 0.000 0.878 197 E CA -0.429 55.847 56.400 -0.207 0.000 0.759 197 E CB 1.772 31.505 29.700 0.055 0.000 1.164 197 E HN 0.248 nan 8.360 nan 0.000 0.414 198 F N 0.734 120.447 119.950 -0.395 0.000 2.611 198 F HA 0.580 5.107 4.527 -0.000 0.000 0.324 198 F C -0.237 175.492 175.800 -0.118 0.000 1.061 198 F CA -0.991 56.597 58.000 -0.687 0.000 0.954 198 F CB 1.651 39.963 39.000 -1.147 0.000 1.301 198 F HN 0.102 nan 8.300 nan 0.000 0.482 199 V N 2.071 122.079 119.914 0.158 0.000 2.686 199 V HA 0.659 4.778 4.120 -0.000 0.000 0.306 199 V C -1.243 175.076 176.094 0.374 0.000 1.065 199 V CA -0.727 61.842 62.300 0.449 0.000 0.894 199 V CB 2.135 34.295 31.823 0.562 0.000 1.004 199 V HN 0.516 nan 8.190 nan 0.000 0.424 200 V N 5.741 125.825 119.914 0.283 0.000 2.686 200 V HA 0.544 4.664 4.120 -0.000 0.000 0.306 200 V C -0.446 175.553 176.094 -0.158 0.000 1.065 200 V CA -0.435 61.934 62.300 0.114 0.000 0.894 200 V CB 1.969 33.928 31.823 0.227 0.000 1.004 200 V HN 0.893 nan 8.190 nan 0.000 0.424 201 M N 5.598 124.946 119.600 -0.419 0.000 2.134 201 M HA 0.617 5.097 4.480 -0.000 0.000 0.310 201 M C -1.930 174.021 176.300 -0.581 0.000 0.966 201 M CA -0.339 54.450 55.300 -0.853 0.000 0.922 201 M CB 1.109 33.020 32.600 -1.149 0.000 1.537 201 M HN 0.488 nan 8.290 nan 0.000 0.424 202 F N 2.725 122.275 119.950 -0.667 0.000 2.396 202 F HA 0.629 5.156 4.527 -0.000 0.000 0.343 202 F C 0.504 175.841 175.800 -0.772 0.000 1.104 202 F CA 0.089 57.664 58.000 -0.709 0.000 1.161 202 F CB 1.642 40.132 39.000 -0.849 0.000 1.146 202 F HN 0.647 nan 8.300 nan 0.000 0.522 203 S N 1.582 116.948 115.700 -0.555 0.000 2.578 203 S HA 0.372 4.842 4.470 -0.000 0.000 0.285 203 S C -1.540 172.853 174.600 -0.345 0.000 1.126 203 S CA -0.844 57.132 58.200 -0.374 0.000 0.878 203 S CB 0.854 63.882 63.200 -0.288 0.000 1.091 203 S HN 0.259 nan 8.310 nan 0.000 0.450 204 V N 4.659 124.377 119.914 -0.327 0.000 2.071 204 V HA 0.189 4.309 4.120 -0.000 0.000 0.254 204 V C 0.315 176.161 176.094 -0.413 0.000 1.456 204 V CA -0.415 61.544 62.300 -0.568 0.000 1.383 204 V CB 0.160 31.525 31.823 -0.763 0.000 1.433 204 V HN 0.701 nan 8.190 nan 0.000 0.499 205 V N 2.691 122.410 119.914 -0.326 0.000 2.519 205 V HA -0.059 4.061 4.120 -0.000 0.000 0.258 205 V C 0.895 176.842 176.094 -0.244 0.000 0.989 205 V CA 0.344 62.532 62.300 -0.188 0.000 1.170 205 V CB -0.384 31.419 31.823 -0.034 0.000 1.066 205 V HN 0.769 nan 8.190 nan 0.000 0.469 206 D N 4.756 125.046 120.400 -0.184 0.000 2.383 206 D HA 0.043 4.682 4.640 -0.000 0.000 0.245 206 D C 1.313 177.516 176.300 -0.161 0.000 1.263 206 D CA -0.223 53.673 54.000 -0.173 0.000 0.936 206 D CB 0.825 41.620 40.800 -0.009 0.000 1.053 206 D HN 0.498 nan 8.370 nan 0.000 0.507 207 E N 2.622 122.643 120.200 -0.298 0.000 2.331 207 E HA -0.149 4.200 4.350 -0.000 0.000 0.199 207 E C 0.987 177.446 176.600 -0.236 0.000 1.008 207 E CA 0.387 56.598 56.400 -0.316 0.000 0.843 207 E CB 0.109 29.404 29.700 -0.675 0.000 0.761 207 E HN 0.606 nan 8.360 nan 0.000 0.507 208 N N -0.300 118.208 118.700 -0.321 0.000 2.520 208 N HA -0.092 4.647 4.740 -0.000 0.000 0.185 208 N C 1.116 176.314 175.510 -0.520 0.000 1.068 208 N CA 0.590 53.383 53.050 -0.428 0.000 0.911 208 N CB -0.033 38.103 38.487 -0.584 0.000 0.961 208 N HN 0.156 nan 8.380 nan 0.000 0.446 209 F N 0.734 120.557 119.950 -0.211 0.000 2.505 209 F HA 0.147 4.674 4.527 -0.000 0.000 0.289 209 F C 1.586 177.167 175.800 -0.366 0.000 1.101 209 F CA -0.160 57.679 58.000 -0.269 0.000 1.446 209 F CB -0.423 38.426 39.000 -0.252 0.000 1.123 209 F HN -0.272 nan 8.300 nan 0.000 0.564 210 S N -0.418 115.191 115.700 -0.151 0.000 2.561 210 S HA -0.182 4.288 4.470 -0.000 0.000 0.294 210 S C 1.008 175.469 174.600 -0.231 0.000 1.294 210 S CA -0.233 57.828 58.200 -0.232 0.000 1.055 210 S CB 0.237 63.386 63.200 -0.085 0.000 0.819 210 S HN 0.370 nan 8.310 nan 0.000 0.503 211 W N 2.854 123.985 121.300 -0.282 0.000 2.350 211 W HA -0.104 4.556 4.660 -0.000 0.000 0.289 211 W C 0.783 177.193 176.519 -0.183 0.000 1.215 211 W CA 0.084 57.252 57.345 -0.296 0.000 1.236 211 W CB -0.322 28.856 29.460 -0.471 0.000 1.130 211 W HN 0.775 nan 8.180 nan 0.000 0.541 212 Y N 0.184 120.679 120.300 0.324 0.000 2.547 212 Y HA 0.099 4.649 4.550 -0.000 0.000 0.325 212 Y C 1.696 177.732 175.900 0.227 0.000 1.165 212 Y CA -0.699 57.552 58.100 0.251 0.000 1.300 212 Y CB -1.423 37.177 38.460 0.233 0.000 1.126 212 Y HN -0.068 nan 8.280 nan 0.000 0.513 213 L N 0.383 121.773 121.223 0.279 0.000 1.994 213 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 213 L C 2.132 179.164 176.870 0.270 0.000 1.071 213 L CA 1.882 56.871 54.840 0.248 0.000 0.745 213 L CB -0.326 41.819 42.059 0.142 0.000 0.892 213 L HN 0.141 nan 8.230 nan 0.000 0.431 214 E N 0.052 120.393 120.200 0.235 0.000 2.033 214 E HA -0.264 4.086 4.350 -0.000 0.000 0.199 214 E C 1.883 178.605 176.600 0.203 0.000 1.011 214 E CA 1.823 58.342 56.400 0.198 0.000 0.815 214 E CB -0.722 29.080 29.700 0.170 0.000 0.755 214 E HN 0.566 nan 8.360 nan 0.000 0.451 215 D N 0.615 121.155 120.400 0.233 0.000 2.228 215 D HA -0.131 4.509 4.640 -0.000 0.000 0.203 215 D C 1.520 177.948 176.300 0.213 0.000 0.988 215 D CA 0.749 54.867 54.000 0.196 0.000 0.864 215 D CB -0.255 40.667 40.800 0.203 0.000 0.928 215 D HN 0.118 nan 8.370 nan 0.000 0.469 216 N N -0.245 118.628 118.700 0.288 0.000 2.336 216 N HA 0.064 4.804 4.740 -0.000 0.000 0.177 216 N C 1.921 177.614 175.510 0.306 0.000 1.018 216 N CA 0.182 53.435 53.050 0.338 0.000 0.878 216 N CB 0.180 38.878 38.487 0.351 0.000 0.997 216 N HN 0.244 nan 8.380 nan 0.000 0.433 217 I N 1.053 121.777 120.570 0.257 0.000 2.110 217 I HA -0.221 3.949 4.170 -0.000 0.000 0.236 217 I C 2.109 178.306 176.117 0.132 0.000 1.068 217 I CA 1.050 62.476 61.300 0.209 0.000 1.333 217 I CB -0.173 37.938 38.000 0.185 0.000 1.054 217 I HN -0.048 nan 8.210 nan 0.000 0.402 218 K N 0.539 121.001 120.400 0.102 0.000 2.218 218 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 218 K C 1.912 178.518 176.600 0.010 0.000 1.046 218 K CA 1.622 57.938 56.287 0.050 0.000 0.933 218 K CB -0.332 32.197 32.500 0.048 0.000 0.728 218 K HN 0.323 nan 8.250 nan 0.000 0.454 219 T N -1.295 113.262 114.554 0.004 0.000 2.818 219 T HA 0.002 4.351 4.350 -0.000 0.000 0.246 219 T C 1.312 175.878 174.700 -0.224 0.000 1.036 219 T CA 1.180 63.180 62.100 -0.166 0.000 1.160 219 T CB -0.290 68.394 68.868 -0.306 0.000 0.869 219 T HN 0.130 nan 8.240 nan 0.000 0.419 220 Y N 0.860 121.160 120.300 -0.000 0.000 2.397 220 Y HA 0.231 4.781 4.550 -0.000 0.000 0.292 220 Y C 1.522 177.421 175.900 -0.002 0.000 1.115 220 Y CA -0.871 57.221 58.100 -0.013 0.000 1.208 220 Y CB -0.460 37.971 38.460 -0.049 0.000 1.046 220 Y HN 0.131 nan 8.280 nan 0.000 0.552 221 C N 1.358 120.752 119.300 0.157 0.000 2.634 221 C HA 0.003 4.462 4.460 -0.000 0.000 0.418 221 C C 2.024 177.044 174.990 0.049 0.000 1.373 221 C CA 0.061 59.132 59.018 0.089 0.000 1.756 221 C CB 0.042 27.812 27.740 0.050 0.000 2.589 221 C HN 0.471 nan 8.230 nan 0.000 0.602 222 S N 1.520 117.243 115.700 0.039 0.000 2.383 222 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 222 S C 0.966 175.570 174.600 0.006 0.000 1.026 222 S CA 1.381 59.592 58.200 0.019 0.000 0.981 222 S CB -0.102 63.110 63.200 0.020 0.000 0.818 222 S HN 0.850 nan 8.310 nan 0.000 0.472 223 E N 0.251 120.452 120.200 0.002 0.000 2.947 223 E HA 0.249 4.599 4.350 -0.000 0.000 0.229 223 E C -2.056 174.532 176.600 -0.021 0.000 1.158 223 E CA -1.905 54.489 56.400 -0.010 0.000 1.441 223 E CB 0.583 30.275 29.700 -0.013 0.000 1.414 223 E HN 0.158 nan 8.360 nan 0.000 0.432 224 P HA -0.256 nan 4.420 nan 0.000 0.219 224 P C 0.495 177.776 177.300 -0.032 0.000 1.145 224 P CA 1.188 64.277 63.100 -0.018 0.000 0.813 224 P CB 0.297 31.999 31.700 0.002 0.000 0.771 225 E N 0.057 120.242 120.200 -0.024 0.000 2.065 225 E HA -0.187 4.163 4.350 -0.000 0.000 0.201 225 E C 1.581 178.158 176.600 -0.038 0.000 1.016 225 E CA 2.057 58.442 56.400 -0.024 0.000 0.818 225 E CB -0.782 28.908 29.700 -0.017 0.000 0.749 225 E HN 0.223 nan 8.360 nan 0.000 0.453 226 K N 0.933 121.302 120.400 -0.052 0.000 3.082 226 K HA 0.432 4.752 4.320 -0.000 0.000 0.203 226 K C -0.345 176.187 176.600 -0.114 0.000 1.177 226 K CA 0.041 56.289 56.287 -0.065 0.000 1.041 226 K CB 0.083 32.556 32.500 -0.044 0.000 1.312 226 K HN 0.167 nan 8.250 nan 0.000 0.526 227 V N -1.793 118.016 119.914 -0.174 0.000 2.513 227 V HA 0.638 4.758 4.120 -0.000 0.000 0.299 227 V C -1.047 174.868 176.094 -0.298 0.000 1.035 227 V CA -1.004 61.091 62.300 -0.342 0.000 0.889 227 V CB 1.901 33.363 31.823 -0.602 0.000 0.988 227 V HN 0.371 nan 8.190 nan 0.000 0.440 228 D N 3.698 123.937 120.400 -0.268 0.000 2.329 228 D HA 0.360 5.000 4.640 -0.000 0.000 0.232 228 D C 0.830 177.123 176.300 -0.012 0.000 1.088 228 D CA -0.307 53.635 54.000 -0.096 0.000 0.835 228 D CB 1.950 42.740 40.800 -0.017 0.000 1.078 228 D HN 0.705 nan 8.370 nan 0.000 0.495 229 K N 1.856 122.321 120.400 0.107 0.000 2.217 229 K HA -0.063 4.256 4.320 -0.000 0.000 0.202 229 K C 0.354 177.131 176.600 0.295 0.000 1.051 229 K CA 0.588 57.136 56.287 0.435 0.000 0.952 229 K CB 0.413 33.090 32.500 0.294 0.000 0.736 229 K HN 0.291 nan 8.250 nan 0.000 0.453 230 D N 1.210 121.700 120.400 0.150 0.000 2.323 230 D HA -0.027 4.613 4.640 -0.000 0.000 0.239 230 D C -0.404 175.957 176.300 0.102 0.000 1.129 230 D CA 0.353 54.407 54.000 0.091 0.000 0.865 230 D CB -0.451 40.383 40.800 0.057 0.000 0.913 230 D HN 0.097 nan 8.370 nan 0.000 0.517 231 N N -0.154 118.646 118.700 0.166 0.000 2.425 231 N HA 0.229 4.969 4.740 -0.000 0.000 0.268 231 N C 1.212 176.813 175.510 0.151 0.000 0.991 231 N CA 0.038 53.178 53.050 0.151 0.000 0.931 231 N CB 0.917 39.500 38.487 0.161 0.000 1.130 231 N HN -0.052 nan 8.380 nan 0.000 0.493 232 E N 2.578 122.838 120.200 0.099 0.000 2.086 232 E HA -0.298 4.052 4.350 -0.000 0.000 0.205 232 E C 0.963 177.617 176.600 0.091 0.000 1.027 232 E CA 2.282 58.729 56.400 0.078 0.000 0.830 232 E CB -0.988 28.753 29.700 0.069 0.000 0.751 232 E HN 0.840 nan 8.360 nan 0.000 0.456 233 D N -1.232 119.241 120.400 0.121 0.000 2.178 233 D HA -0.044 4.595 4.640 -0.000 0.000 0.202 233 D C 1.847 178.261 176.300 0.191 0.000 0.974 233 D CA 1.146 55.230 54.000 0.140 0.000 0.841 233 D CB -0.215 40.662 40.800 0.128 0.000 0.953 233 D HN 0.449 nan 8.370 nan 0.000 0.478 234 F N 2.396 122.381 119.950 0.059 0.000 2.113 234 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 234 F C 2.352 178.187 175.800 0.058 0.000 1.103 234 F CA 1.388 59.426 58.000 0.063 0.000 1.248 234 F CB -0.507 38.520 39.000 0.045 0.000 0.999 234 F HN -0.133 nan 8.300 nan 0.000 0.475 235 Q N -0.128 119.564 119.800 -0.180 0.000 2.030 235 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 235 Q C 2.150 178.042 176.000 -0.180 0.000 0.986 235 Q CA 1.731 57.360 55.803 -0.291 0.000 0.843 235 Q CB -0.529 28.113 28.738 -0.161 0.000 0.904 235 Q HN 0.388 nan 8.270 nan 0.000 0.420 236 E N 0.642 120.823 120.200 -0.031 0.000 2.160 236 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 236 E C 1.977 178.635 176.600 0.095 0.000 0.991 236 E CA 1.399 57.831 56.400 0.053 0.000 0.810 236 E CB -0.067 29.721 29.700 0.147 0.000 0.742 236 E HN 0.366 nan 8.360 nan 0.000 0.466 237 S N 0.201 115.967 115.700 0.111 0.000 2.603 237 S HA 0.033 4.503 4.470 -0.000 0.000 0.229 237 S C 1.099 175.764 174.600 0.107 0.000 0.972 237 S CA 0.274 58.600 58.200 0.211 0.000 0.935 237 S CB 0.001 63.348 63.200 0.245 0.000 0.769 237 S HN 0.121 nan 8.310 nan 0.000 0.536 238 N N 0.995 119.640 118.700 -0.091 0.000 2.171 238 N HA 0.159 4.898 4.740 -0.000 0.000 0.212 238 N C -0.539 174.780 175.510 -0.318 0.000 1.184 238 N CA -0.062 52.892 53.050 -0.160 0.000 0.888 238 N CB 0.538 38.863 38.487 -0.270 0.000 1.038 238 N HN 0.431 nan 8.380 nan 0.000 0.517 239 R N 1.191 121.491 120.500 -0.333 0.000 2.235 239 R HA 0.314 4.654 4.340 -0.000 0.000 0.338 239 R C -0.095 175.839 176.300 -0.610 0.000 1.087 239 R CA -0.163 55.656 56.100 -0.469 0.000 0.948 239 R CB 0.505 30.546 30.300 -0.431 0.000 1.099 239 R HN -0.136 nan 8.270 nan 0.000 0.483 240 M N 4.498 123.735 119.600 -0.604 0.000 2.664 240 M HA 0.147 4.627 4.480 -0.000 0.000 0.332 240 M C -0.813 175.202 176.300 -0.476 0.000 1.354 240 M CA -0.826 54.117 55.300 -0.595 0.000 1.399 240 M CB -0.553 31.434 32.600 -1.021 0.000 1.224 240 M HN 0.331 nan 8.290 nan 0.000 0.479 241 Y N 1.765 121.796 120.300 -0.448 0.000 2.770 241 Y HA 0.150 4.700 4.550 -0.000 0.000 0.342 241 Y C 0.921 176.625 175.900 -0.326 0.000 1.221 241 Y CA 0.274 58.148 58.100 -0.376 0.000 1.560 241 Y CB -0.275 37.974 38.460 -0.352 0.000 1.213 241 Y HN 0.632 nan 8.280 nan 0.000 0.525 242 S N 1.153 116.705 115.700 -0.247 0.000 2.535 242 S HA 0.461 4.931 4.470 -0.000 0.000 0.272 242 S C -0.320 174.035 174.600 -0.409 0.000 1.149 242 S CA -0.765 57.283 58.200 -0.252 0.000 0.888 242 S CB 1.165 64.274 63.200 -0.152 0.000 1.110 242 S HN 0.443 nan 8.310 nan 0.000 0.463 243 V N 1.630 121.272 119.914 -0.454 0.000 2.295 243 V HA 0.111 4.231 4.120 -0.000 0.000 0.212 243 V C 1.004 176.831 176.094 -0.446 0.000 1.025 243 V CA 1.181 63.091 62.300 -0.650 0.000 1.060 243 V CB -0.596 30.727 31.823 -0.834 0.000 0.674 243 V HN 0.968 nan 8.190 nan 0.000 0.470 244 N N 0.278 118.831 118.700 -0.245 0.000 2.509 244 N HA 0.243 4.983 4.740 -0.000 0.000 0.239 244 N C 0.738 175.904 175.510 -0.574 0.000 1.215 244 N CA 1.031 53.905 53.050 -0.293 0.000 0.882 244 N CB -0.044 38.441 38.487 -0.003 0.000 1.189 244 N HN 0.896 nan 8.380 nan 0.000 0.490 245 G N -0.788 107.651 108.800 -0.603 0.000 2.279 245 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.223 245 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.223 245 G C -0.236 174.777 174.900 0.189 0.000 1.015 245 G CA -0.400 44.276 45.100 -0.706 0.000 0.621 245 G HN 0.343 nan 8.290 nan 0.000 0.506 246 Y N 1.795 122.278 120.300 0.305 0.000 2.319 246 Y HA 0.472 5.022 4.550 -0.000 0.000 0.328 246 Y C 1.918 177.927 175.900 0.182 0.000 1.133 246 Y CA 0.669 58.988 58.100 0.364 0.000 1.265 246 Y CB 1.512 40.116 38.460 0.241 0.000 1.218 246 Y HN 0.175 nan 8.280 nan 0.000 0.508 247 T N -2.088 112.718 114.554 0.419 0.000 2.985 247 T HA 0.266 4.616 4.350 -0.000 0.000 0.254 247 T C -0.215 174.648 174.700 0.271 0.000 1.021 247 T CA 0.173 62.437 62.100 0.274 0.000 0.957 247 T CB 0.027 69.151 68.868 0.428 0.000 1.047 247 T HN 0.285 nan 8.240 nan 0.000 0.511 248 F N 1.452 121.479 119.950 0.127 0.000 2.971 248 F HA 0.598 5.125 4.527 -0.000 0.000 0.373 248 F C 1.124 176.985 175.800 0.102 0.000 1.288 248 F CA -0.854 57.205 58.000 0.099 0.000 1.204 248 F CB 1.190 40.264 39.000 0.124 0.000 1.852 248 F HN 0.215 nan 8.300 nan 0.000 0.624 249 G N 0.522 109.406 108.800 0.140 0.000 2.189 249 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.267 249 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.267 249 G C 1.546 176.587 174.900 0.236 0.000 0.975 249 G CA 0.953 46.163 45.100 0.183 0.000 0.644 249 G HN 0.606 nan 8.290 nan 0.000 0.537 250 S N -1.073 114.725 115.700 0.164 0.000 2.447 250 S HA 0.131 4.601 4.470 -0.000 0.000 0.233 250 S C 1.387 175.875 174.600 -0.186 0.000 1.006 250 S CA 0.901 59.131 58.200 0.050 0.000 0.957 250 S CB -0.177 63.109 63.200 0.144 0.000 0.773 250 S HN 1.073 nan 8.310 nan 0.000 0.507 251 L N 4.488 125.661 121.223 -0.083 0.000 2.562 251 L HA 0.289 4.629 4.340 -0.000 0.000 0.271 251 L C -1.967 174.874 176.870 -0.047 0.000 1.167 251 L CA -1.080 53.686 54.840 -0.124 0.000 0.917 251 L CB 0.324 42.446 42.059 0.106 0.000 1.187 251 L HN 0.143 nan 8.230 nan 0.000 0.482 252 P HA 0.415 nan 4.420 nan 0.000 0.287 252 P C 0.435 177.864 177.300 0.215 0.000 1.296 252 P CA 0.177 63.300 63.100 0.038 0.000 0.811 252 P CB 1.369 33.044 31.700 -0.042 0.000 1.211 253 G N -1.034 107.911 108.800 0.242 0.000 2.435 253 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.245 253 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.245 253 G C 0.039 175.183 174.900 0.406 0.000 1.073 253 G CA 0.255 45.585 45.100 0.383 0.000 0.638 253 G HN 0.489 nan 8.290 nan 0.000 0.521 254 L N 2.119 123.527 121.223 0.307 0.000 2.704 254 L HA 0.537 4.876 4.340 -0.000 0.000 0.279 254 L C 0.751 177.766 176.870 0.241 0.000 1.147 254 L CA 1.331 56.280 54.840 0.181 0.000 0.994 254 L CB 0.660 42.785 42.059 0.109 0.000 1.332 254 L HN 0.452 nan 8.230 nan 0.000 0.471 255 S N 4.691 120.564 115.700 0.288 0.000 2.614 255 S HA 0.877 5.347 4.470 -0.000 0.000 0.275 255 S C -0.673 174.096 174.600 0.282 0.000 1.161 255 S CA -0.757 57.601 58.200 0.263 0.000 0.969 255 S CB 0.765 64.096 63.200 0.218 0.000 1.059 255 S HN 0.380 nan 8.310 nan 0.000 0.482 256 M N 2.436 122.183 119.600 0.246 0.000 2.716 256 M HA 0.624 5.104 4.480 -0.000 0.000 0.278 256 M C -0.931 175.472 176.300 0.173 0.000 1.281 256 M CA -0.576 54.854 55.300 0.216 0.000 0.814 256 M CB 1.654 34.391 32.600 0.228 0.000 1.719 256 M HN 0.575 nan 8.290 nan 0.000 0.457 257 c N 1.033 119.718 118.600 0.143 0.000 2.401 257 c HA 0.892 5.462 4.570 -0.000 0.000 0.356 257 c C 0.514 174.674 174.090 0.118 0.000 1.192 257 c CA -0.753 55.647 56.329 0.119 0.000 2.028 257 c CB 1.325 43.892 42.510 0.096 0.000 2.344 257 c HN 0.885 nan 8.230 nan 0.000 0.525 258 A N 0.993 123.876 122.820 0.107 0.000 2.445 258 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 258 A C 0.508 178.139 177.584 0.078 0.000 1.075 258 A CA 0.297 52.394 52.037 0.099 0.000 0.777 258 A CB -0.158 18.898 19.000 0.093 0.000 1.013 258 A HN 1.052 nan 8.150 nan 0.000 0.493 259 E N -0.557 119.682 120.200 0.064 0.000 2.637 259 E HA -0.157 4.193 4.350 -0.000 0.000 0.265 259 E C -0.944 175.689 176.600 0.055 0.000 1.073 259 E CA 1.382 57.813 56.400 0.051 0.000 0.778 259 E CB -1.430 28.301 29.700 0.052 0.000 1.362 259 E HN 0.710 nan 8.360 nan 0.000 0.413 260 D N 0.136 120.572 120.400 0.059 0.000 2.274 260 D HA 0.192 4.832 4.640 -0.000 0.000 0.239 260 D C -0.100 176.219 176.300 0.033 0.000 1.104 260 D CA -0.411 53.628 54.000 0.065 0.000 0.840 260 D CB 0.636 41.491 40.800 0.093 0.000 1.100 260 D HN 0.053 nan 8.370 nan 0.000 0.477 261 R N 2.441 122.973 120.500 0.054 0.000 2.612 261 R HA 0.217 4.557 4.340 -0.000 0.000 0.273 261 R C -0.422 175.915 176.300 0.062 0.000 1.376 261 R CA -0.406 55.727 56.100 0.054 0.000 1.171 261 R CB 0.162 30.600 30.300 0.230 0.000 1.151 261 R HN 0.159 nan 8.270 nan 0.000 0.560 262 V N 2.720 122.609 119.914 -0.041 0.000 2.607 262 V HA 0.189 4.308 4.120 -0.000 0.000 0.289 262 V C 0.233 176.313 176.094 -0.023 0.000 1.053 262 V CA -0.502 61.763 62.300 -0.058 0.000 0.996 262 V CB 1.453 33.230 31.823 -0.075 0.000 0.995 262 V HN 0.443 nan 8.190 nan 0.000 0.476 263 K N 3.458 123.811 120.400 -0.078 0.000 2.413 263 K HA 0.485 4.805 4.320 -0.000 0.000 0.257 263 K C -1.873 174.570 176.600 -0.261 0.000 0.946 263 K CA -0.342 55.923 56.287 -0.037 0.000 0.823 263 K CB 1.031 33.520 32.500 -0.019 0.000 1.109 263 K HN 0.568 nan 8.250 nan 0.000 0.427 264 W N 4.615 125.749 121.300 -0.277 0.000 2.429 264 W HA 0.346 5.005 4.660 -0.000 0.000 0.314 264 W C -0.857 175.470 176.519 -0.319 0.000 1.062 264 W CA -0.380 56.837 57.345 -0.213 0.000 1.211 264 W CB 0.825 30.173 29.460 -0.186 0.000 1.305 264 W HN 0.413 nan 8.180 nan 0.000 0.476 265 Y N 4.456 124.961 120.300 0.342 0.000 2.434 265 Y HA 0.365 4.915 4.550 -0.000 0.000 0.341 265 Y C 0.351 176.454 175.900 0.338 0.000 0.965 265 Y CA -0.712 57.569 58.100 0.302 0.000 1.205 265 Y CB 0.326 38.930 38.460 0.240 0.000 1.121 265 Y HN 0.047 nan 8.280 nan 0.000 0.507 266 L N 4.135 125.606 121.223 0.415 0.000 2.397 266 L HA 0.610 4.950 4.340 -0.000 0.000 0.266 266 L C -0.465 176.640 176.870 0.392 0.000 1.040 266 L CA -1.079 53.939 54.840 0.296 0.000 0.800 266 L CB 1.457 43.588 42.059 0.120 0.000 1.324 266 L HN 0.693 nan 8.230 nan 0.000 0.469 267 F N -1.797 118.200 119.950 0.078 0.000 2.648 267 F HA 0.554 5.081 4.527 -0.000 0.000 0.312 267 F C -0.467 175.303 175.800 -0.050 0.000 1.028 267 F CA -0.929 57.073 58.000 0.003 0.000 1.035 267 F CB -0.061 38.917 39.000 -0.037 0.000 1.278 267 F HN 0.501 nan 8.300 nan 0.000 0.508 268 G N 2.097 110.918 108.800 0.036 0.000 2.525 268 G HA2 0.743 4.702 3.960 -0.000 0.000 0.287 268 G HA3 0.743 4.702 3.960 -0.000 0.000 0.287 268 G C -1.323 173.583 174.900 0.011 0.000 1.350 268 G CA -0.784 44.265 45.100 -0.085 0.000 1.039 268 G HN 1.081 nan 8.290 nan 0.000 0.513 269 M N -1.374 118.204 119.600 -0.037 0.000 2.447 269 M HA 0.534 5.014 4.480 -0.000 0.000 0.292 269 M C -0.332 175.941 176.300 -0.045 0.000 1.083 269 M CA 0.466 55.748 55.300 -0.031 0.000 0.907 269 M CB 1.088 33.690 32.600 0.003 0.000 1.829 269 M HN 1.903 nan 8.290 nan 0.000 0.518 270 G N 2.142 110.911 108.800 -0.052 0.000 2.356 270 G HA2 0.206 4.166 3.960 -0.000 0.000 0.266 270 G HA3 0.206 4.166 3.960 -0.000 0.000 0.266 270 G C -1.733 173.115 174.900 -0.087 0.000 1.312 270 G CA -0.324 44.736 45.100 -0.066 0.000 0.922 270 G HN 0.852 nan 8.290 nan 0.000 0.480 271 N N -0.063 118.581 118.700 -0.093 0.000 2.867 271 N HA 0.269 5.008 4.740 -0.000 0.000 0.326 271 N C 1.370 176.824 175.510 -0.093 0.000 1.355 271 N CA 0.260 53.243 53.050 -0.111 0.000 0.830 271 N CB 0.938 39.377 38.487 -0.080 0.000 1.152 271 N HN 0.715 nan 8.380 nan 0.000 0.569 272 E N -0.226 119.921 120.200 -0.089 0.000 2.463 272 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 272 E C 0.759 177.355 176.600 -0.008 0.000 1.083 272 E CA 0.224 56.585 56.400 -0.064 0.000 0.872 272 E CB -0.223 29.446 29.700 -0.051 0.000 0.966 272 E HN 0.295 nan 8.360 nan 0.000 0.491 273 V N -2.417 117.493 119.914 -0.006 0.000 3.214 273 V HA 0.258 4.378 4.120 -0.000 0.000 0.330 273 V C -0.313 175.792 176.094 0.019 0.000 1.403 273 V CA -0.408 61.912 62.300 0.033 0.000 1.143 273 V CB -0.172 31.686 31.823 0.058 0.000 1.098 273 V HN -0.073 nan 8.190 nan 0.000 0.463 274 D N 1.127 121.497 120.400 -0.050 0.000 3.139 274 D HA 0.357 4.997 4.640 -0.000 0.000 0.268 274 D C -0.261 175.792 176.300 -0.411 0.000 1.322 274 D CA 0.128 54.036 54.000 -0.154 0.000 0.940 274 D CB 1.020 41.851 40.800 0.051 0.000 1.050 274 D HN 0.317 nan 8.370 nan 0.000 0.503 275 V N 2.928 122.564 119.914 -0.465 0.000 2.304 275 V HA 0.150 4.270 4.120 -0.000 0.000 0.262 275 V C 0.186 175.781 176.094 -0.831 0.000 1.061 275 V CA -0.548 61.395 62.300 -0.594 0.000 0.872 275 V CB 0.037 31.677 31.823 -0.304 0.000 1.077 275 V HN 0.423 nan 8.190 nan 0.000 0.480 276 H N 2.998 121.738 119.070 -0.549 0.000 2.544 276 H HA 0.779 5.335 4.556 -0.000 0.000 0.342 276 H C 0.073 175.070 175.328 -0.551 0.000 1.185 276 H CA -0.638 55.158 56.048 -0.421 0.000 1.264 276 H CB 2.264 31.794 29.762 -0.386 0.000 1.607 276 H HN 0.565 nan 8.280 nan 0.000 0.550 277 A N 1.052 123.673 122.820 -0.332 0.000 3.156 277 A HA 0.513 4.833 4.320 -0.000 0.000 0.311 277 A C 0.026 177.396 177.584 -0.356 0.000 1.129 277 A CA -0.365 51.458 52.037 -0.356 0.000 0.809 277 A CB -0.129 18.709 19.000 -0.272 0.000 1.257 277 A HN 0.763 nan 8.150 nan 0.000 0.491 278 A N 1.281 123.733 122.820 -0.614 0.000 2.520 278 A HA 0.542 4.862 4.320 -0.000 0.000 0.245 278 A C -0.602 176.902 177.584 -0.134 0.000 1.072 278 A CA 0.487 52.145 52.037 -0.631 0.000 0.761 278 A CB -0.123 18.334 19.000 -0.906 0.000 1.004 278 A HN 1.417 nan 8.150 nan 0.000 0.499 279 F N 2.887 122.698 119.950 -0.231 0.000 2.585 279 F HA 0.576 5.103 4.527 -0.000 0.000 0.319 279 F C -1.653 174.058 175.800 -0.149 0.000 1.165 279 F CA -2.041 55.867 58.000 -0.154 0.000 0.949 279 F CB 1.356 40.222 39.000 -0.223 0.000 1.218 279 F HN 0.426 nan 8.300 nan 0.000 0.453 280 F N 6.805 126.537 119.950 -0.363 0.000 2.441 280 F HA 0.275 4.802 4.527 -0.000 0.000 0.337 280 F C 1.362 176.823 175.800 -0.565 0.000 1.182 280 F CA -0.454 57.264 58.000 -0.470 0.000 1.279 280 F CB -0.444 38.178 39.000 -0.630 0.000 1.614 280 F HN 0.596 nan 8.300 nan 0.000 0.574 281 H N 1.172 119.772 119.070 -0.783 0.000 2.322 281 H HA -0.304 4.252 4.556 -0.000 0.000 0.282 281 H C 2.350 177.310 175.328 -0.614 0.000 1.130 281 H CA 2.233 57.830 56.048 -0.752 0.000 1.160 281 H CB -0.542 29.053 29.762 -0.279 0.000 1.352 281 H HN 0.613 nan 8.280 nan 0.000 0.469 282 G N -0.100 108.377 108.800 -0.537 0.000 2.404 282 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 282 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 282 G C 0.729 175.001 174.900 -1.048 0.000 1.174 282 G CA 1.087 45.226 45.100 -1.602 0.000 0.780 282 G HN 0.451 nan 8.290 nan 0.000 0.537 283 Q N -1.368 118.097 119.800 -0.560 0.000 3.274 283 Q HA 0.651 4.990 4.340 -0.000 0.000 0.303 283 Q C -0.768 175.071 176.000 -0.268 0.000 1.005 283 Q CA -0.616 54.946 55.803 -0.402 0.000 0.831 283 Q CB 1.125 29.695 28.738 -0.281 0.000 1.538 283 Q HN 0.089 nan 8.270 nan 0.000 0.481 284 A N 1.525 124.218 122.820 -0.211 0.000 3.175 284 A HA 0.395 4.714 4.320 -0.000 0.000 0.289 284 A C 0.338 177.816 177.584 -0.177 0.000 1.429 284 A CA -0.575 51.369 52.037 -0.156 0.000 1.155 284 A CB -1.402 17.532 19.000 -0.110 0.000 1.169 284 A HN 0.500 nan 8.150 nan 0.000 0.574 285 L N 0.524 121.588 121.223 -0.266 0.000 2.617 285 L HA 0.409 4.749 4.340 -0.000 0.000 0.282 285 L C 0.074 176.831 176.870 -0.188 0.000 1.174 285 L CA 0.479 55.118 54.840 -0.336 0.000 1.016 285 L CB -0.561 41.055 42.059 -0.740 0.000 1.337 285 L HN 0.296 nan 8.230 nan 0.000 0.460 286 T N -0.996 113.507 114.554 -0.086 0.000 3.741 286 T HA 0.297 4.647 4.350 -0.000 0.000 0.242 286 T C 0.285 175.030 174.700 0.075 0.000 1.042 286 T CA -0.576 61.526 62.100 0.004 0.000 1.278 286 T CB -0.398 68.473 68.868 0.005 0.000 0.994 286 T HN 0.706 nan 8.240 nan 0.000 0.594 287 N N 1.067 119.833 118.700 0.111 0.000 2.433 287 N HA 0.158 4.898 4.740 -0.000 0.000 0.270 287 N C 1.222 176.781 175.510 0.083 0.000 1.354 287 N CA -0.376 52.766 53.050 0.153 0.000 0.889 287 N CB 0.685 39.382 38.487 0.351 0.000 1.285 287 N HN 0.206 nan 8.380 nan 0.000 0.503 288 K N 1.367 121.820 120.400 0.087 0.000 2.001 288 K HA -0.087 4.233 4.320 -0.000 0.000 0.214 288 K C 0.789 177.321 176.600 -0.113 0.000 1.050 288 K CA 1.622 57.897 56.287 -0.021 0.000 0.934 288 K CB 0.262 32.768 32.500 0.010 0.000 0.718 288 K HN 0.439 nan 8.250 nan 0.000 0.443 289 N N -3.207 115.420 118.700 -0.122 0.000 1.944 289 N HA 0.015 4.754 4.740 -0.000 0.000 0.255 289 N C -0.069 175.120 175.510 -0.535 0.000 1.272 289 N CA 0.086 52.898 53.050 -0.397 0.000 0.783 289 N CB 0.747 38.886 38.487 -0.580 0.000 1.379 289 N HN 0.012 nan 8.380 nan 0.000 0.517 290 Y N 1.070 121.396 120.300 0.043 0.000 2.790 290 Y HA 0.501 5.051 4.550 -0.000 0.000 0.323 290 Y C 0.208 176.151 175.900 0.073 0.000 1.230 290 Y CA -1.130 57.005 58.100 0.058 0.000 1.121 290 Y CB 0.741 39.237 38.460 0.061 0.000 1.328 290 Y HN -0.294 nan 8.280 nan 0.000 0.514 291 R N 1.833 122.482 120.500 0.249 0.000 2.248 291 R HA 0.465 4.805 4.340 -0.000 0.000 0.337 291 R C -1.688 174.699 176.300 0.146 0.000 1.085 291 R CA -0.148 56.044 56.100 0.154 0.000 0.934 291 R CB -0.692 29.677 30.300 0.115 0.000 1.034 291 R HN 0.538 nan 8.270 nan 0.000 0.465 292 I N 1.837 122.480 120.570 0.122 0.000 2.493 292 I HA 0.379 4.549 4.170 -0.000 0.000 0.298 292 I C 0.390 176.513 176.117 0.010 0.000 0.998 292 I CA -0.586 60.773 61.300 0.099 0.000 1.137 292 I CB 1.931 40.029 38.000 0.165 0.000 1.310 292 I HN 0.569 nan 8.210 nan 0.000 0.445 293 D N 1.643 122.026 120.400 -0.028 0.000 2.463 293 D HA 0.037 4.677 4.640 -0.000 0.000 0.237 293 D C 0.671 176.914 176.300 -0.096 0.000 1.013 293 D CA 0.619 54.583 54.000 -0.060 0.000 0.910 293 D CB 0.245 40.989 40.800 -0.093 0.000 1.080 293 D HN 0.601 nan 8.370 nan 0.000 0.498 294 T N -0.259 114.184 114.554 -0.185 0.000 2.876 294 T HA 0.601 4.951 4.350 -0.000 0.000 0.289 294 T C -1.125 173.428 174.700 -0.243 0.000 1.014 294 T CA -0.882 61.070 62.100 -0.247 0.000 0.986 294 T CB 1.341 69.946 68.868 -0.438 0.000 1.021 294 T HN 0.039 nan 8.240 nan 0.000 0.458 295 I N 4.858 125.222 120.570 -0.342 0.000 2.390 295 I HA 0.340 4.510 4.170 -0.000 0.000 0.283 295 I C 0.202 175.990 176.117 -0.548 0.000 1.016 295 I CA -0.995 59.971 61.300 -0.555 0.000 1.151 295 I CB 1.255 38.740 38.000 -0.858 0.000 1.293 295 I HN 0.602 nan 8.210 nan 0.000 0.458 296 N N 7.815 126.267 118.700 -0.413 0.000 2.520 296 N HA 0.502 5.242 4.740 -0.000 0.000 0.273 296 N C -0.801 174.414 175.510 -0.493 0.000 1.155 296 N CA 0.005 52.773 53.050 -0.470 0.000 0.967 296 N CB 1.902 40.192 38.487 -0.328 0.000 1.092 296 N HN 0.425 nan 8.380 nan 0.000 0.457 297 L N 2.350 123.150 121.223 -0.706 0.000 2.431 297 L HA 0.557 4.897 4.340 -0.000 0.000 0.266 297 L C -0.986 175.497 176.870 -0.645 0.000 0.978 297 L CA -0.679 53.893 54.840 -0.446 0.000 0.822 297 L CB 1.287 43.141 42.059 -0.342 0.000 1.310 297 L HN 0.353 nan 8.230 nan 0.000 0.409 298 F N 0.665 120.582 119.950 -0.056 0.000 2.691 298 F HA 0.555 5.082 4.527 -0.000 0.000 0.334 298 F C -2.234 173.540 175.800 -0.044 0.000 1.107 298 F CA -2.642 55.327 58.000 -0.050 0.000 0.991 298 F CB 0.534 39.483 39.000 -0.086 0.000 1.400 298 F HN 0.188 nan 8.300 nan 0.000 0.503 299 P HA 0.136 nan 4.420 nan 0.000 0.250 299 P C -0.119 177.124 177.300 -0.096 0.000 1.161 299 P CA 1.544 64.650 63.100 0.009 0.000 0.863 299 P CB -0.061 31.638 31.700 -0.002 0.000 0.827 300 A N 2.429 125.149 122.820 -0.165 0.000 3.031 300 A HA -0.156 4.164 4.320 -0.000 0.000 0.244 300 A C 0.716 178.222 177.584 -0.131 0.000 1.341 300 A CA 0.731 52.570 52.037 -0.330 0.000 0.943 300 A CB -2.699 15.770 19.000 -0.886 0.000 1.122 300 A HN 0.399 nan 8.150 nan 0.000 0.760 301 T N 1.599 116.168 114.554 0.024 0.000 2.769 301 T HA 0.466 4.816 4.350 -0.000 0.000 0.293 301 T C 0.348 175.135 174.700 0.144 0.000 0.931 301 T CA 0.346 62.504 62.100 0.097 0.000 1.139 301 T CB 0.158 69.139 68.868 0.189 0.000 0.881 301 T HN 0.445 nan 8.240 nan 0.000 0.532 302 L N 4.768 126.064 121.223 0.121 0.000 2.257 302 L HA 0.615 4.955 4.340 -0.000 0.000 0.290 302 L C -0.495 176.519 176.870 0.241 0.000 1.044 302 L CA -0.709 54.224 54.840 0.155 0.000 0.810 302 L CB 0.417 42.505 42.059 0.049 0.000 1.193 302 L HN 0.516 nan 8.230 nan 0.000 0.425 303 F N 3.510 123.534 119.950 0.122 0.000 2.578 303 F HA 0.440 4.967 4.527 -0.000 0.000 0.311 303 F C -0.942 174.925 175.800 0.113 0.000 1.094 303 F CA -0.902 57.153 58.000 0.092 0.000 0.923 303 F CB 1.891 40.920 39.000 0.049 0.000 1.230 303 F HN 0.541 nan 8.300 nan 0.000 0.450 304 D N 4.232 124.711 120.400 0.131 0.000 2.649 304 D HA 0.651 5.291 4.640 -0.000 0.000 0.249 304 D C -1.555 174.803 176.300 0.096 0.000 1.112 304 D CA -0.527 53.543 54.000 0.117 0.000 0.850 304 D CB 2.216 43.045 40.800 0.047 0.000 1.399 304 D HN 0.718 nan 8.370 nan 0.000 0.503 305 A N 1.714 124.616 122.820 0.137 0.000 2.423 305 A HA 0.613 4.932 4.320 -0.000 0.000 0.304 305 A C -1.966 175.708 177.584 0.149 0.000 1.104 305 A CA -0.920 51.208 52.037 0.151 0.000 0.757 305 A CB 1.873 20.936 19.000 0.104 0.000 1.313 305 A HN 0.615 nan 8.150 nan 0.000 0.423 306 Y N 1.298 121.596 120.300 -0.004 0.000 2.361 306 Y HA 0.687 5.237 4.550 -0.000 0.000 0.337 306 Y C -0.519 175.388 175.900 0.013 0.000 0.965 306 Y CA -0.796 57.312 58.100 0.014 0.000 1.091 306 Y CB 1.698 40.154 38.460 -0.007 0.000 1.182 306 Y HN 0.880 nan 8.280 nan 0.000 0.450 307 M N 5.747 125.116 119.600 -0.386 0.000 2.716 307 M HA 0.784 5.264 4.480 -0.000 0.000 0.307 307 M C -1.964 173.977 176.300 -0.598 0.000 1.223 307 M CA -0.967 54.102 55.300 -0.384 0.000 0.871 307 M CB 2.041 34.587 32.600 -0.091 0.000 1.739 307 M HN 0.479 nan 8.290 nan 0.000 0.475 308 V N 2.922 122.621 119.914 -0.358 0.000 2.398 308 V HA 0.455 4.575 4.120 -0.000 0.000 0.282 308 V C -0.063 175.979 176.094 -0.086 0.000 1.014 308 V CA -1.003 61.157 62.300 -0.233 0.000 0.838 308 V CB 0.966 32.675 31.823 -0.190 0.000 1.018 308 V HN 0.966 nan 8.190 nan 0.000 0.432 309 A N 5.246 128.063 122.820 -0.005 0.000 2.553 309 A HA 0.407 4.727 4.320 -0.000 0.000 0.258 309 A C 0.233 177.851 177.584 0.056 0.000 1.069 309 A CA 0.728 52.811 52.037 0.076 0.000 0.767 309 A CB 0.000 19.090 19.000 0.150 0.000 0.997 309 A HN 0.847 nan 8.150 nan 0.000 0.512 310 Q N 0.882 120.706 119.800 0.039 0.000 2.687 310 Q HA 0.407 4.747 4.340 -0.000 0.000 0.305 310 Q C -0.385 175.655 176.000 0.067 0.000 1.006 310 Q CA -1.187 54.641 55.803 0.041 0.000 0.763 310 Q CB 1.153 29.890 28.738 -0.002 0.000 1.506 310 Q HN 0.820 nan 8.270 nan 0.000 0.459 311 N N 0.801 119.560 118.700 0.098 0.000 2.648 311 N HA -0.108 4.631 4.740 -0.000 0.000 0.265 311 N C -2.794 172.960 175.510 0.407 0.000 1.100 311 N CA 0.037 53.203 53.050 0.193 0.000 0.715 311 N CB -0.553 37.968 38.487 0.058 0.000 0.881 311 N HN 0.209 nan 8.380 nan 0.000 0.548 312 P HA 0.286 nan 4.420 nan 0.000 0.266 312 P C 0.683 178.112 177.300 0.216 0.000 1.186 312 P CA 1.224 64.474 63.100 0.250 0.000 0.767 312 P CB 0.470 32.253 31.700 0.139 0.000 0.820 313 G N -0.256 108.568 108.800 0.041 0.000 2.361 313 G HA2 0.408 4.368 3.960 -0.000 0.000 0.305 313 G HA3 0.408 4.368 3.960 -0.000 0.000 0.305 313 G C -1.232 173.320 174.900 -0.580 0.000 1.367 313 G CA -0.313 44.577 45.100 -0.349 0.000 0.951 313 G HN 0.480 nan 8.290 nan 0.000 0.615 314 E N -0.551 119.287 120.200 -0.603 0.000 2.052 314 E HA 0.578 4.928 4.350 -0.000 0.000 0.283 314 E C -0.010 176.281 176.600 -0.516 0.000 1.071 314 E CA -0.377 55.775 56.400 -0.413 0.000 0.851 314 E CB 0.186 29.747 29.700 -0.232 0.000 1.066 314 E HN 0.608 nan 8.360 nan 0.000 0.396 315 W N 1.104 122.234 121.300 -0.282 0.000 2.342 315 W HA 0.729 5.389 4.660 -0.000 0.000 0.530 315 W C 0.428 176.660 176.519 -0.479 0.000 1.880 315 W CA -0.714 56.434 57.345 -0.328 0.000 2.052 315 W CB 1.006 30.055 29.460 -0.685 0.000 2.206 315 W HN 0.595 nan 8.180 nan 0.000 0.741 316 M N 1.358 120.833 119.600 -0.209 0.000 2.465 316 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 316 M C -2.410 173.812 176.300 -0.130 0.000 1.212 316 M CA -0.441 54.528 55.300 -0.552 0.000 0.910 316 M CB 1.879 33.474 32.600 -1.675 0.000 1.725 316 M HN 0.379 nan 8.290 nan 0.000 0.477 317 L N 3.969 125.035 121.223 -0.262 0.000 2.333 317 L HA 0.901 5.241 4.340 -0.000 0.000 0.280 317 L C -1.160 175.515 176.870 -0.324 0.000 1.004 317 L CA -0.056 54.521 54.840 -0.437 0.000 0.820 317 L CB 1.628 43.245 42.059 -0.736 0.000 1.247 317 L HN 1.102 nan 8.230 nan 0.000 0.416 318 S N 3.040 118.670 115.700 -0.116 0.000 2.720 318 S HA 0.410 4.880 4.470 -0.000 0.000 0.287 318 S C -1.026 173.681 174.600 0.178 0.000 1.168 318 S CA -0.768 57.435 58.200 0.005 0.000 0.832 318 S CB 1.748 64.968 63.200 0.033 0.000 1.166 318 S HN 0.722 nan 8.310 nan 0.000 0.493 319 C N 2.138 121.561 119.300 0.205 0.000 2.294 319 C HA 0.514 4.974 4.460 -0.000 0.000 0.319 319 C C 1.212 176.250 174.990 0.080 0.000 1.164 319 C CA -0.378 58.758 59.018 0.197 0.000 1.497 319 C CB -0.264 27.720 27.740 0.407 0.000 2.061 319 C HN 0.824 nan 8.230 nan 0.000 0.438 320 Q N 2.414 122.223 119.800 0.015 0.000 2.576 320 Q HA -0.084 4.256 4.340 -0.000 0.000 0.218 320 Q C 0.829 176.749 176.000 -0.132 0.000 0.983 320 Q CA 0.676 56.451 55.803 -0.047 0.000 0.920 320 Q CB -0.524 28.139 28.738 -0.125 0.000 0.973 320 Q HN 0.858 nan 8.270 nan 0.000 0.528 321 N N 1.057 119.660 118.700 -0.163 0.000 2.440 321 N HA -0.068 4.672 4.740 -0.000 0.000 0.265 321 N C 0.954 176.356 175.510 -0.181 0.000 1.239 321 N CA 0.187 53.075 53.050 -0.270 0.000 0.909 321 N CB 0.485 38.647 38.487 -0.541 0.000 1.066 321 N HN 0.108 nan 8.380 nan 0.000 0.474 322 L N 3.305 124.437 121.223 -0.152 0.000 1.990 322 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 322 L C 1.718 178.570 176.870 -0.030 0.000 1.072 322 L CA 1.308 56.105 54.840 -0.071 0.000 0.755 322 L CB -0.569 41.466 42.059 -0.039 0.000 0.889 322 L HN 0.523 nan 8.230 nan 0.000 0.432 323 N N -0.650 118.025 118.700 -0.041 0.000 2.192 323 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 323 N C 1.727 177.260 175.510 0.039 0.000 1.013 323 N CA 1.323 54.379 53.050 0.010 0.000 0.863 323 N CB -0.419 38.094 38.487 0.043 0.000 0.990 323 N HN 0.528 nan 8.380 nan 0.000 0.430 324 H N -0.764 118.267 119.070 -0.065 0.000 2.395 324 H HA 0.014 4.569 4.556 -0.000 0.000 0.299 324 H C 1.940 177.195 175.328 -0.122 0.000 1.070 324 H CA 0.413 56.422 56.048 -0.064 0.000 1.356 324 H CB 0.061 29.899 29.762 0.126 0.000 1.401 324 H HN 0.061 nan 8.280 nan 0.000 0.524 325 L N 2.141 123.394 121.223 0.049 0.000 2.042 325 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 325 L C 2.207 179.056 176.870 -0.034 0.000 1.076 325 L CA 1.759 56.600 54.840 0.002 0.000 0.749 325 L CB -0.202 41.871 42.059 0.023 0.000 0.893 325 L HN 0.218 nan 8.230 nan 0.000 0.432 326 K N -1.088 119.308 120.400 -0.008 0.000 2.459 326 K HA 0.176 4.496 4.320 -0.000 0.000 0.193 326 K C 1.235 177.856 176.600 0.035 0.000 1.030 326 K CA 0.807 57.126 56.287 0.054 0.000 1.026 326 K CB -0.109 32.471 32.500 0.132 0.000 0.809 326 K HN 0.249 nan 8.250 nan 0.000 0.504 327 A N 1.672 124.391 122.820 -0.168 0.000 2.415 327 A HA 0.368 4.688 4.320 -0.000 0.000 0.248 327 A C 0.819 178.155 177.584 -0.413 0.000 1.299 327 A CA 0.059 51.950 52.037 -0.244 0.000 0.899 327 A CB -0.489 17.920 19.000 -0.986 0.000 0.997 327 A HN 0.458 nan 8.150 nan 0.000 0.506 328 G N -0.326 108.177 108.800 -0.496 0.000 2.415 328 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.283 328 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.283 328 G C -0.132 174.381 174.900 -0.644 0.000 1.014 328 G CA 0.336 44.902 45.100 -0.891 0.000 1.323 328 G HN 0.935 nan 8.290 nan 0.000 0.502 329 L N 0.776 121.810 121.223 -0.315 0.000 2.784 329 L HA 0.516 4.855 4.340 -0.000 0.000 0.241 329 L C 0.379 177.115 176.870 -0.223 0.000 1.352 329 L CA -0.431 54.282 54.840 -0.213 0.000 0.911 329 L CB 0.411 42.443 42.059 -0.046 0.000 1.227 329 L HN 0.527 nan 8.230 nan 0.000 0.501 330 Q N 1.116 120.746 119.800 -0.283 0.000 2.359 330 Q HA 0.886 5.226 4.340 -0.000 0.000 0.275 330 Q C -0.963 174.785 176.000 -0.421 0.000 1.082 330 Q CA -0.522 55.060 55.803 -0.368 0.000 0.849 330 Q CB 2.671 31.154 28.738 -0.424 0.000 1.377 330 Q HN 0.405 nan 8.270 nan 0.000 0.452 331 A N 1.376 123.861 122.820 -0.557 0.000 2.509 331 A HA 0.549 4.868 4.320 -0.000 0.000 0.282 331 A C -1.534 175.784 177.584 -0.442 0.000 1.054 331 A CA -0.682 51.099 52.037 -0.426 0.000 0.820 331 A CB 0.240 19.091 19.000 -0.249 0.000 1.333 331 A HN 0.555 nan 8.150 nan 0.000 0.409 332 F N 1.657 121.570 119.950 -0.063 0.000 2.496 332 F HA 0.575 5.102 4.527 -0.000 0.000 0.344 332 F C 0.439 176.296 175.800 0.094 0.000 1.155 332 F CA 0.564 58.532 58.000 -0.053 0.000 1.302 332 F CB 0.468 39.422 39.000 -0.077 0.000 1.159 332 F HN 0.592 nan 8.300 nan 0.000 0.595 333 F N -0.079 119.936 119.950 0.108 0.000 2.668 333 F HA 0.701 5.228 4.527 -0.000 0.000 0.309 333 F C -1.722 174.182 175.800 0.174 0.000 1.117 333 F CA -1.335 56.727 58.000 0.103 0.000 0.951 333 F CB 1.628 40.661 39.000 0.055 0.000 1.323 333 F HN 0.540 nan 8.300 nan 0.000 0.451 334 Q N 1.087 120.966 119.800 0.131 0.000 2.340 334 Q HA 0.717 5.057 4.340 -0.000 0.000 0.276 334 Q C -2.294 173.816 176.000 0.184 0.000 1.048 334 Q CA -1.255 54.562 55.803 0.022 0.000 0.832 334 Q CB 2.586 31.314 28.738 -0.017 0.000 1.373 334 Q HN 0.649 nan 8.270 nan 0.000 0.409 335 V N 2.840 122.876 119.914 0.204 0.000 2.294 335 V HA 0.212 4.332 4.120 -0.000 0.000 0.272 335 V C -0.311 175.873 176.094 0.150 0.000 1.027 335 V CA -0.493 61.943 62.300 0.226 0.000 0.823 335 V CB 0.743 32.738 31.823 0.287 0.000 1.030 335 V HN 0.736 nan 8.190 nan 0.000 0.457 336 Q N 2.389 122.261 119.800 0.120 0.000 2.352 336 Q HA 0.215 4.555 4.340 -0.000 0.000 0.260 336 Q C 0.228 176.279 176.000 0.085 0.000 0.976 336 Q CA -0.246 55.606 55.803 0.083 0.000 0.881 336 Q CB 1.115 29.899 28.738 0.076 0.000 1.235 336 Q HN 0.708 nan 8.270 nan 0.000 0.419 337 E N 1.900 122.140 120.200 0.066 0.000 1.865 337 E HA 0.098 4.448 4.350 -0.000 0.000 0.269 337 E C -1.220 175.414 176.600 0.057 0.000 1.177 337 E CA -0.180 56.258 56.400 0.064 0.000 0.932 337 E CB -0.317 29.414 29.700 0.052 0.000 1.066 337 E HN 0.505 nan 8.360 nan 0.000 0.405 348 R N 4.142 124.670 120.500 0.046 0.000 4.102 348 R HA 0.219 4.559 4.340 -0.000 0.000 0.031 348 R C -0.204 176.131 176.300 0.058 0.000 0.815 348 R CA 0.663 56.794 56.100 0.052 0.000 2.664 348 R CB 0.220 30.548 30.300 0.047 0.000 1.047 348 R HN 1.436 nan 8.270 nan 0.000 0.497 349 G N 3.192 112.027 108.800 0.058 0.000 2.328 349 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.244 349 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.244 349 G C -0.071 174.874 174.900 0.074 0.000 1.317 349 G CA -0.054 45.090 45.100 0.073 0.000 1.261 349 G HN 0.143 nan 8.290 nan 0.000 0.648 350 K N 0.251 120.691 120.400 0.066 0.000 2.147 350 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 350 K C 0.904 177.527 176.600 0.039 0.000 1.049 350 K CA 0.559 56.867 56.287 0.037 0.000 0.936 350 K CB -0.106 32.400 32.500 0.010 0.000 0.722 350 K HN 0.743 nan 8.250 nan 0.000 0.446 351 H N 1.102 120.185 119.070 0.021 0.000 3.342 351 H HA 0.008 4.564 4.556 -0.000 0.000 0.237 351 H C -0.618 174.707 175.328 -0.005 0.000 1.044 351 H CA -0.257 55.802 56.048 0.019 0.000 1.436 351 H CB -0.164 29.623 29.762 0.041 0.000 1.569 351 H HN -0.226 nan 8.280 nan 0.000 0.507 352 V N 6.685 126.629 119.914 0.049 0.000 2.439 352 V HA 0.094 4.214 4.120 -0.000 0.000 0.271 352 V C 0.440 176.522 176.094 -0.020 0.000 1.040 352 V CA -0.303 61.995 62.300 -0.004 0.000 1.002 352 V CB 0.552 32.348 31.823 -0.046 0.000 1.000 352 V HN 0.677 nan 8.190 nan 0.000 0.477 353 R N 3.668 124.124 120.500 -0.074 0.000 2.229 353 R HA 0.394 4.734 4.340 -0.000 0.000 0.328 353 R C -0.517 175.615 176.300 -0.280 0.000 1.009 353 R CA -0.406 55.572 56.100 -0.202 0.000 0.864 353 R CB 0.815 31.017 30.300 -0.164 0.000 1.085 353 R HN 0.760 nan 8.270 nan 0.000 0.453 354 H N 2.178 120.954 119.070 -0.489 0.000 2.511 354 H HA 0.355 4.910 4.556 -0.000 0.000 0.328 354 H C -0.976 173.871 175.328 -0.801 0.000 1.044 354 H CA -0.462 55.276 56.048 -0.518 0.000 1.212 354 H CB 0.737 30.277 29.762 -0.370 0.000 1.428 354 H HN 0.427 nan 8.280 nan 0.000 0.483 355 Y N 3.138 123.225 120.300 -0.356 0.000 2.524 355 Y HA 0.320 4.870 4.550 -0.000 0.000 0.344 355 Y C -1.048 174.588 175.900 -0.440 0.000 1.012 355 Y CA -0.816 57.101 58.100 -0.304 0.000 1.068 355 Y CB 1.364 39.678 38.460 -0.244 0.000 1.249 355 Y HN 0.556 nan 8.280 nan 0.000 0.468 356 Y N 2.753 123.221 120.300 0.282 0.000 2.326 356 Y HA 0.662 5.212 4.550 -0.000 0.000 0.329 356 Y C -0.690 175.566 175.900 0.594 0.000 0.973 356 Y CA -0.853 57.471 58.100 0.373 0.000 1.162 356 Y CB 1.233 39.669 38.460 -0.040 0.000 1.147 356 Y HN 0.324 nan 8.280 nan 0.000 0.456 357 I N 2.575 123.625 120.570 0.801 0.000 2.647 357 I HA 0.840 5.010 4.170 -0.000 0.000 0.295 357 I C -0.671 175.879 176.117 0.722 0.000 1.078 357 I CA -1.154 60.575 61.300 0.714 0.000 1.048 357 I CB 2.261 40.476 38.000 0.357 0.000 1.239 357 I HN 0.644 nan 8.210 nan 0.000 0.421 358 A N 3.669 126.907 122.820 0.696 0.000 2.365 358 A HA 0.904 5.224 4.320 -0.000 0.000 0.318 358 A C -0.543 177.404 177.584 0.605 0.000 1.091 358 A CA -0.657 51.633 52.037 0.421 0.000 0.763 358 A CB 1.525 20.663 19.000 0.231 0.000 1.248 358 A HN 0.806 nan 8.150 nan 0.000 0.442 359 A N 2.141 125.315 122.820 0.590 0.000 2.320 359 A HA 0.646 4.966 4.320 -0.000 0.000 0.287 359 A C -0.047 177.672 177.584 0.225 0.000 1.181 359 A CA -0.226 52.042 52.037 0.386 0.000 0.831 359 A CB 0.080 19.317 19.000 0.396 0.000 1.102 359 A HN 0.823 nan 8.150 nan 0.000 0.513 360 E N 1.121 121.429 120.200 0.181 0.000 2.392 360 E HA 0.437 4.786 4.350 -0.000 0.000 0.269 360 E C -1.004 175.663 176.600 0.113 0.000 0.924 360 E CA -0.846 55.649 56.400 0.158 0.000 0.784 360 E CB 1.862 31.684 29.700 0.203 0.000 1.292 360 E HN 0.819 nan 8.360 nan 0.000 0.447 361 E N 2.331 122.597 120.200 0.109 0.000 2.222 361 E HA 0.633 4.983 4.350 -0.000 0.000 0.272 361 E C -0.161 176.504 176.600 0.108 0.000 0.982 361 E CA -0.834 55.627 56.400 0.101 0.000 0.842 361 E CB 1.789 31.553 29.700 0.107 0.000 1.144 361 E HN 0.427 nan 8.360 nan 0.000 0.397 362 I N -1.798 118.840 120.570 0.113 0.000 3.334 362 I HA 0.438 4.608 4.170 -0.000 0.000 0.316 362 I C -1.429 174.776 176.117 0.148 0.000 1.251 362 I CA -1.441 59.934 61.300 0.126 0.000 0.929 362 I CB 1.494 39.578 38.000 0.140 0.000 1.317 362 I HN 0.685 nan 8.210 nan 0.000 0.479 363 I N 3.314 123.969 120.570 0.141 0.000 2.361 363 I HA 0.190 4.360 4.170 -0.000 0.000 0.282 363 I C -0.548 175.620 176.117 0.085 0.000 1.075 363 I CA -0.364 61.030 61.300 0.156 0.000 1.205 363 I CB 0.727 38.832 38.000 0.174 0.000 1.406 363 I HN 0.492 nan 8.210 nan 0.000 0.481 364 W N 7.187 128.421 121.300 -0.110 0.000 2.238 364 W HA 0.161 4.821 4.660 -0.000 0.000 0.321 364 W C -0.506 175.855 176.519 -0.263 0.000 1.293 364 W CA -0.016 57.176 57.345 -0.255 0.000 1.204 364 W CB 1.110 30.291 29.460 -0.465 0.000 1.167 364 W HN 0.432 nan 8.180 nan 0.000 0.553 365 N N 4.764 122.903 118.700 -0.934 0.000 2.417 365 N HA 0.068 4.808 4.740 -0.000 0.000 0.274 365 N C 0.104 175.245 175.510 -0.615 0.000 0.987 365 N CA -0.303 52.442 53.050 -0.509 0.000 0.912 365 N CB 0.717 39.007 38.487 -0.329 0.000 1.177 365 N HN 0.360 nan 8.380 nan 0.000 0.490 366 Y N 1.925 122.252 120.300 0.045 0.000 2.509 366 Y HA 0.144 4.693 4.550 -0.000 0.000 0.293 366 Y C 1.032 177.165 175.900 0.388 0.000 1.133 366 Y CA 0.773 59.051 58.100 0.297 0.000 1.283 366 Y CB 0.442 39.085 38.460 0.305 0.000 1.001 366 Y HN 0.627 nan 8.280 nan 0.000 0.555 367 A N -1.412 121.684 122.820 0.460 0.000 3.124 367 A HA 0.392 4.712 4.320 -0.000 0.000 0.295 367 A C -2.176 175.518 177.584 0.183 0.000 1.199 367 A CA -0.939 51.318 52.037 0.368 0.000 0.845 367 A CB 0.178 19.369 19.000 0.318 0.000 1.381 367 A HN -0.020 nan 8.150 nan 0.000 0.537 368 P HA -0.280 nan 4.420 nan 0.000 0.216 368 P C 1.986 179.306 177.300 0.035 0.000 1.167 368 P CA 2.687 65.815 63.100 0.047 0.000 0.914 368 P CB 0.157 31.880 31.700 0.040 0.000 0.793 369 S N -1.434 114.287 115.700 0.034 0.000 2.488 369 S HA -0.072 4.398 4.470 -0.000 0.000 0.246 369 S C 1.766 176.359 174.600 -0.011 0.000 0.992 369 S CA 1.097 59.301 58.200 0.008 0.000 0.963 369 S CB -1.871 61.331 63.200 0.003 0.000 0.754 369 S HN 0.398 nan 8.310 nan 0.000 0.519 370 G N 0.890 109.680 108.800 -0.016 0.000 2.212 370 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 370 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 370 G C -0.103 174.723 174.900 -0.123 0.000 1.002 370 G CA 0.782 45.844 45.100 -0.063 0.000 0.729 370 G HN 0.887 nan 8.290 nan 0.000 0.517 371 I N -1.065 119.440 120.570 -0.108 0.000 2.865 371 I HA 0.487 4.657 4.170 -0.000 0.000 0.302 371 I C -1.275 174.794 176.117 -0.080 0.000 1.140 371 I CA -1.207 60.031 61.300 -0.104 0.000 1.021 371 I CB 1.947 39.917 38.000 -0.050 0.000 1.233 371 I HN -0.056 nan 8.210 nan 0.000 0.427 372 D N 6.815 127.173 120.400 -0.070 0.000 2.402 372 D HA 0.140 4.780 4.640 -0.000 0.000 0.235 372 D C 1.370 177.742 176.300 0.120 0.000 1.226 372 D CA -0.214 53.819 54.000 0.056 0.000 0.918 372 D CB 0.630 41.456 40.800 0.044 0.000 1.043 372 D HN 0.376 nan 8.370 nan 0.000 0.506 373 I N 3.445 124.101 120.570 0.143 0.000 2.236 373 I HA -0.299 3.871 4.170 -0.000 0.000 0.249 373 I C 1.859 178.001 176.117 0.043 0.000 1.102 373 I CA 0.984 62.321 61.300 0.062 0.000 1.365 373 I CB -0.921 37.086 38.000 0.013 0.000 1.051 373 I HN 0.377 nan 8.210 nan 0.000 0.420 374 F N 1.373 121.329 119.950 0.010 0.000 2.102 374 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 374 F C 2.616 178.425 175.800 0.014 0.000 1.105 374 F CA 1.957 59.963 58.000 0.009 0.000 1.239 374 F CB -0.859 38.145 39.000 0.007 0.000 0.991 374 F HN 0.168 nan 8.300 nan 0.000 0.474 375 T N -3.917 110.760 114.554 0.206 0.000 3.054 375 T HA 0.145 4.495 4.350 -0.000 0.000 0.255 375 T C 0.686 175.420 174.700 0.057 0.000 1.035 375 T CA -0.283 61.886 62.100 0.115 0.000 0.941 375 T CB -0.053 68.879 68.868 0.107 0.000 1.026 375 T HN 0.149 nan 8.240 nan 0.000 0.533 376 K N -0.027 120.398 120.400 0.041 0.000 3.020 376 K HA -0.172 4.148 4.320 -0.000 0.000 0.266 376 K C 0.244 176.845 176.600 0.002 0.000 1.067 376 K CA 1.289 57.581 56.287 0.010 0.000 0.780 376 K CB -2.646 29.854 32.500 0.000 0.000 1.220 376 K HN 0.882 nan 8.250 nan 0.000 0.483 377 E N 1.413 121.614 120.200 0.001 0.000 2.232 377 E HA 0.352 4.702 4.350 -0.000 0.000 0.265 377 E C -0.124 176.445 176.600 -0.051 0.000 1.001 377 E CA -0.749 55.642 56.400 -0.016 0.000 0.870 377 E CB 0.737 30.434 29.700 -0.005 0.000 1.175 377 E HN 0.221 nan 8.360 nan 0.000 0.407 378 N N 0.904 119.572 118.700 -0.052 0.000 2.475 378 N HA 0.010 4.750 4.740 -0.000 0.000 0.267 378 N C 0.441 175.874 175.510 -0.129 0.000 1.169 378 N CA -0.388 52.617 53.050 -0.074 0.000 0.947 378 N CB 1.076 39.538 38.487 -0.043 0.000 1.061 378 N HN 0.454 nan 8.380 nan 0.000 0.466 379 L N 3.195 124.290 121.223 -0.213 0.000 2.651 379 L HA -0.091 4.249 4.340 -0.000 0.000 0.236 379 L C 1.357 178.084 176.870 -0.237 0.000 1.173 379 L CA 1.467 56.073 54.840 -0.389 0.000 0.843 379 L CB -1.039 40.635 42.059 -0.642 0.000 0.964 379 L HN 0.789 nan 8.230 nan 0.000 0.454 380 T N -4.626 109.874 114.554 -0.091 0.000 3.460 380 T HA 0.531 4.881 4.350 -0.000 0.000 0.304 380 T C 0.510 175.212 174.700 0.004 0.000 0.991 380 T CA 0.013 62.116 62.100 0.004 0.000 0.975 380 T CB -0.205 68.691 68.868 0.047 0.000 1.196 380 T HN 0.161 nan 8.240 nan 0.000 0.490 381 A N 3.375 126.184 122.820 -0.018 0.000 2.520 381 A HA 0.520 4.840 4.320 -0.000 0.000 0.235 381 A C -1.923 175.671 177.584 0.017 0.000 1.065 381 A CA -1.081 50.955 52.037 -0.001 0.000 0.764 381 A CB -0.243 18.753 19.000 -0.006 0.000 1.002 381 A HN 0.448 nan 8.150 nan 0.000 0.502 382 P HA 0.171 nan 4.420 nan 0.000 0.263 382 P C 0.530 177.851 177.300 0.035 0.000 1.195 382 P CA 1.469 64.587 63.100 0.030 0.000 0.762 382 P CB 0.268 31.984 31.700 0.027 0.000 0.799 383 G N 2.450 111.275 108.800 0.042 0.000 2.387 383 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.270 383 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.270 383 G C -0.021 174.912 174.900 0.055 0.000 0.957 383 G CA 0.263 45.392 45.100 0.048 0.000 1.352 383 G HN 0.926 nan 8.290 nan 0.000 0.457 384 S N -0.618 115.121 115.700 0.066 0.000 2.638 384 S HA 0.707 5.177 4.470 -0.000 0.000 0.274 384 S C 0.691 175.357 174.600 0.110 0.000 1.157 384 S CA 0.116 58.358 58.200 0.070 0.000 0.826 384 S CB 1.687 64.908 63.200 0.036 0.000 1.139 384 S HN 0.043 nan 8.310 nan 0.000 0.474 385 D N 2.318 122.792 120.400 0.123 0.000 2.156 385 D HA -0.179 4.460 4.640 -0.000 0.000 0.190 385 D C 2.388 178.859 176.300 0.285 0.000 0.998 385 D CA 2.593 56.715 54.000 0.203 0.000 0.842 385 D CB -1.154 39.770 40.800 0.205 0.000 0.974 385 D HN 0.709 nan 8.370 nan 0.000 0.447 386 S N 1.350 117.092 115.700 0.069 0.000 2.368 386 S HA -0.253 4.217 4.470 -0.000 0.000 0.226 386 S C 2.185 176.962 174.600 0.295 0.000 1.044 386 S CA 2.148 60.305 58.200 -0.071 0.000 1.062 386 S CB -0.963 61.835 63.200 -0.670 0.000 0.931 386 S HN 0.406 nan 8.310 nan 0.000 0.440 387 A N 2.469 125.380 122.820 0.152 0.000 1.883 387 A HA -0.245 4.075 4.320 -0.000 0.000 0.226 387 A C 2.478 180.177 177.584 0.192 0.000 1.512 387 A CA 3.188 55.317 52.037 0.154 0.000 0.738 387 A CB -1.801 17.255 19.000 0.092 0.000 0.848 387 A HN 1.216 nan 8.150 nan 0.000 0.477 388 V N -1.045 118.951 119.914 0.136 0.000 2.277 388 V HA -0.315 3.805 4.120 -0.000 0.000 0.253 388 V C 2.244 178.243 176.094 -0.158 0.000 1.067 388 V CA 3.075 65.334 62.300 -0.069 0.000 1.047 388 V CB -0.783 30.887 31.823 -0.255 0.000 0.649 388 V HN 0.529 nan 8.190 nan 0.000 0.447 389 F N -0.787 119.212 119.950 0.083 0.000 2.367 389 F HA 0.193 4.720 4.527 -0.000 0.000 0.298 389 F C 1.788 177.444 175.800 -0.240 0.000 1.094 389 F CA 1.149 59.110 58.000 -0.065 0.000 1.409 389 F CB -0.536 38.444 39.000 -0.034 0.000 1.064 389 F HN 0.222 nan 8.300 nan 0.000 0.528 390 F N -0.520 119.534 119.950 0.173 0.000 2.724 390 F HA 0.199 4.725 4.527 -0.000 0.000 0.306 390 F C 0.896 176.719 175.800 0.039 0.000 1.100 390 F CA -0.664 57.392 58.000 0.094 0.000 1.255 390 F CB -0.299 38.735 39.000 0.055 0.000 1.072 390 F HN -0.275 nan 8.300 nan 0.000 0.589 391 E N 1.984 122.283 120.200 0.165 0.000 2.452 391 E HA 0.007 4.357 4.350 -0.000 0.000 0.261 391 E C -0.242 176.394 176.600 0.059 0.000 0.987 391 E CA 0.317 56.775 56.400 0.095 0.000 0.926 391 E CB 0.414 30.151 29.700 0.062 0.000 0.934 391 E HN 0.279 nan 8.360 nan 0.000 0.452 392 Q N 2.582 122.416 119.800 0.057 0.000 2.356 392 Q HA 0.630 4.970 4.340 -0.000 0.000 0.270 392 Q C -0.585 175.446 176.000 0.052 0.000 1.058 392 Q CA -0.261 55.568 55.803 0.044 0.000 0.802 392 Q CB 1.637 30.401 28.738 0.043 0.000 1.303 392 Q HN 0.721 nan 8.270 nan 0.000 0.444 393 G N 0.263 109.098 108.800 0.058 0.000 2.498 393 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.181 393 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.181 393 G C 0.289 175.226 174.900 0.061 0.000 1.169 393 G CA 0.228 45.362 45.100 0.056 0.000 0.992 393 G HN 0.555 nan 8.290 nan 0.000 0.490 394 T N -0.238 114.346 114.554 0.050 0.000 2.536 394 T HA -0.180 4.170 4.350 -0.000 0.000 0.263 394 T C 1.979 176.715 174.700 0.059 0.000 1.115 394 T CA 4.034 66.161 62.100 0.045 0.000 1.180 394 T CB -0.977 67.910 68.868 0.032 0.000 0.864 394 T HN 1.363 nan 8.240 nan 0.000 0.419 395 T N -1.280 113.321 114.554 0.078 0.000 3.174 395 T HA 0.492 4.842 4.350 -0.000 0.000 0.269 395 T C 0.398 175.260 174.700 0.269 0.000 1.017 395 T CA -0.543 61.629 62.100 0.120 0.000 0.899 395 T CB 0.136 69.043 68.868 0.065 0.000 1.077 395 T HN 0.234 nan 8.240 nan 0.000 0.552 396 R N 0.648 121.258 120.500 0.184 0.000 2.409 396 R HA 0.620 4.960 4.340 -0.000 0.000 0.313 396 R C 0.937 177.281 176.300 0.073 0.000 0.953 396 R CA -0.676 55.504 56.100 0.134 0.000 0.849 396 R CB 0.444 30.778 30.300 0.056 0.000 1.171 396 R HN 0.111 nan 8.270 nan 0.000 0.458 397 I N 1.882 122.465 120.570 0.021 0.000 2.163 397 I HA -0.109 4.061 4.170 -0.000 0.000 0.243 397 I C 1.386 177.340 176.117 -0.271 0.000 1.085 397 I CA 1.733 62.958 61.300 -0.126 0.000 1.347 397 I CB -0.363 37.411 38.000 -0.376 0.000 1.044 397 I HN 0.939 nan 8.210 nan 0.000 0.408 398 G N -0.259 108.390 108.800 -0.252 0.000 2.516 398 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 398 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 398 G C 0.586 175.349 174.900 -0.230 0.000 1.165 398 G CA -0.154 44.836 45.100 -0.183 0.000 1.013 398 G HN 0.342 nan 8.290 nan 0.000 0.590 399 G N 0.057 108.771 108.800 -0.144 0.000 2.425 399 G HA2 0.362 4.322 3.960 -0.000 0.000 0.213 399 G HA3 0.362 4.322 3.960 -0.000 0.000 0.213 399 G C 1.001 175.934 174.900 0.056 0.000 1.201 399 G CA 1.979 47.054 45.100 -0.041 0.000 0.799 399 G HN 1.764 nan 8.290 nan 0.000 0.534 400 S N -0.340 115.245 115.700 -0.193 0.000 2.541 400 S HA 0.677 5.146 4.470 -0.000 0.000 0.283 400 S C -1.474 172.790 174.600 -0.559 0.000 1.196 400 S CA -0.523 57.550 58.200 -0.211 0.000 1.062 400 S CB 1.451 64.516 63.200 -0.226 0.000 1.009 400 S HN 0.220 nan 8.310 nan 0.000 0.502 401 Y N 0.472 120.595 120.300 -0.294 0.000 2.406 401 Y HA 0.410 4.960 4.550 -0.000 0.000 0.340 401 Y C 0.141 176.078 175.900 0.063 0.000 0.975 401 Y CA -1.240 56.754 58.100 -0.178 0.000 1.056 401 Y CB 1.510 39.976 38.460 0.011 0.000 1.210 401 Y HN 0.639 nan 8.280 nan 0.000 0.448 402 K N 4.736 125.383 120.400 0.411 0.000 2.361 402 K HA 0.107 4.427 4.320 -0.000 0.000 0.283 402 K C -0.425 176.311 176.600 0.227 0.000 1.078 402 K CA 0.282 56.764 56.287 0.325 0.000 1.041 402 K CB 0.111 32.809 32.500 0.329 0.000 0.932 402 K HN 0.652 nan 8.250 nan 0.000 0.462 403 K N 3.195 123.684 120.400 0.149 0.000 2.583 403 K HA 0.557 4.877 4.320 -0.000 0.000 0.263 403 K C -0.730 175.895 176.600 0.041 0.000 1.038 403 K CA -1.071 55.245 56.287 0.049 0.000 1.031 403 K CB 0.791 33.240 32.500 -0.084 0.000 1.399 403 K HN 0.413 nan 8.250 nan 0.000 0.531 404 L N 0.989 122.196 121.223 -0.027 0.000 2.562 404 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 404 L C -1.762 175.047 176.870 -0.102 0.000 0.949 404 L CA -0.644 54.188 54.840 -0.014 0.000 0.879 404 L CB 1.898 43.968 42.059 0.020 0.000 1.278 404 L HN 0.397 nan 8.230 nan 0.000 0.404 405 V N 3.758 123.621 119.914 -0.084 0.000 3.178 405 V HA 0.517 4.637 4.120 -0.000 0.000 0.302 405 V C -1.337 174.740 176.094 -0.028 0.000 1.262 405 V CA -0.481 61.730 62.300 -0.149 0.000 1.030 405 V CB 2.394 34.132 31.823 -0.142 0.000 1.074 405 V HN 0.560 nan 8.190 nan 0.000 0.438 406 Y N 4.442 124.798 120.300 0.093 0.000 2.511 406 Y HA 0.655 5.205 4.550 -0.000 0.000 0.332 406 Y C 0.738 176.730 175.900 0.154 0.000 1.177 406 Y CA 0.022 58.221 58.100 0.166 0.000 1.422 406 Y CB 0.429 38.990 38.460 0.167 0.000 1.271 406 Y HN 0.364 nan 8.280 nan 0.000 0.550 407 R N 1.690 122.418 120.500 0.381 0.000 2.651 407 R HA 0.271 4.611 4.340 -0.000 0.000 0.278 407 R C -0.856 175.586 176.300 0.237 0.000 1.010 407 R CA -1.156 55.076 56.100 0.220 0.000 0.896 407 R CB 1.966 32.337 30.300 0.118 0.000 1.211 407 R HN 0.781 nan 8.270 nan 0.000 0.456 408 E N 1.231 121.508 120.200 0.129 0.000 2.349 408 E HA 0.336 4.686 4.350 -0.000 0.000 0.262 408 E C -0.880 175.704 176.600 -0.027 0.000 1.088 408 E CA -0.188 56.328 56.400 0.192 0.000 0.899 408 E CB 0.769 30.585 29.700 0.193 0.000 1.044 408 E HN 0.349 nan 8.360 nan 0.000 0.420 409 Y N -0.394 120.035 120.300 0.215 0.000 2.609 409 Y HA 0.152 4.701 4.550 -0.000 0.000 0.342 409 Y C 1.179 177.043 175.900 -0.061 0.000 1.058 409 Y CA -0.614 57.521 58.100 0.057 0.000 1.055 409 Y CB 2.134 40.586 38.460 -0.015 0.000 1.292 409 Y HN 0.513 nan 8.280 nan 0.000 0.476 410 T N -0.525 114.033 114.554 0.006 0.000 2.821 410 T HA -0.041 4.308 4.350 -0.000 0.000 0.267 410 T C -0.058 174.374 174.700 -0.447 0.000 1.046 410 T CA 1.729 63.746 62.100 -0.139 0.000 1.139 410 T CB -0.112 68.688 68.868 -0.113 0.000 0.871 410 T HN 0.668 nan 8.240 nan 0.000 0.454 411 D N -2.333 117.614 120.400 -0.755 0.000 2.713 411 D HA 0.575 5.215 4.640 -0.000 0.000 0.306 411 D C 0.735 176.232 176.300 -1.339 0.000 1.299 411 D CA -0.033 53.158 54.000 -1.349 0.000 0.823 411 D CB 0.333 40.673 40.800 -0.766 0.000 1.353 411 D HN -0.107 nan 8.370 nan 0.000 0.447 412 A N -0.149 122.023 122.820 -1.079 0.000 2.093 412 A HA -0.067 4.253 4.320 -0.000 0.000 0.222 412 A C 0.961 178.284 177.584 -0.436 0.000 1.162 412 A CA 1.743 53.502 52.037 -0.464 0.000 0.655 412 A CB -0.981 17.957 19.000 -0.103 0.000 0.805 412 A HN 0.585 nan 8.150 nan 0.000 0.461 413 S N 0.037 115.451 115.700 -0.476 0.000 3.024 413 S HA 0.365 4.835 4.470 -0.000 0.000 0.316 413 S C -0.301 174.042 174.600 -0.428 0.000 1.197 413 S CA -0.509 57.505 58.200 -0.310 0.000 1.097 413 S CB -0.960 62.088 63.200 -0.253 0.000 1.471 413 S HN 0.226 nan 8.310 nan 0.000 0.543 414 F N 2.974 122.706 119.950 -0.364 0.000 2.651 414 F HA 0.143 4.670 4.527 -0.000 0.000 0.367 414 F C 1.919 177.421 175.800 -0.497 0.000 1.225 414 F CA -0.169 57.442 58.000 -0.648 0.000 1.310 414 F CB -0.660 37.738 39.000 -1.004 0.000 1.724 414 F HN 0.719 nan 8.300 nan 0.000 0.662 415 T N -3.124 111.346 114.554 -0.140 0.000 3.056 415 T HA 0.109 4.459 4.350 -0.000 0.000 0.243 415 T C 0.499 175.299 174.700 0.166 0.000 0.995 415 T CA -0.196 61.907 62.100 0.005 0.000 1.091 415 T CB -0.152 68.698 68.868 -0.029 0.000 0.990 415 T HN 0.397 nan 8.240 nan 0.000 0.464 416 N N 1.567 120.395 118.700 0.215 0.000 2.296 416 N HA 0.467 5.207 4.740 -0.000 0.000 0.294 416 N C -0.401 175.226 175.510 0.195 0.000 1.033 416 N CA -1.170 51.997 53.050 0.196 0.000 0.839 416 N CB 2.061 40.586 38.487 0.064 0.000 1.395 416 N HN -0.032 nan 8.380 nan 0.000 0.479 417 R N 1.646 122.115 120.500 -0.052 0.000 2.954 417 R HA 0.272 4.612 4.340 -0.000 0.000 0.276 417 R C -0.126 176.094 176.300 -0.134 0.000 1.218 417 R CA -0.183 55.691 56.100 -0.377 0.000 1.149 417 R CB 0.045 30.134 30.300 -0.352 0.000 1.112 417 R HN 0.616 nan 8.270 nan 0.000 0.577 418 K N 1.087 121.418 120.400 -0.114 0.000 2.221 418 K HA 0.155 4.475 4.320 -0.000 0.000 0.258 418 K C -0.498 176.102 176.600 -0.001 0.000 0.944 418 K CA -0.833 55.443 56.287 -0.019 0.000 0.823 418 K CB 1.615 34.132 32.500 0.028 0.000 1.113 418 K HN 0.312 nan 8.250 nan 0.000 0.431 419 E N 2.335 122.546 120.200 0.018 0.000 2.324 419 E HA -0.005 4.344 4.350 -0.000 0.000 0.271 419 E C -0.654 175.977 176.600 0.052 0.000 1.028 419 E CA 0.243 56.661 56.400 0.031 0.000 0.890 419 E CB 0.422 30.141 29.700 0.030 0.000 1.004 419 E HN 0.217 nan 8.360 nan 0.000 0.431 420 R N 3.434 123.970 120.500 0.060 0.000 2.220 420 R HA 0.306 4.646 4.340 -0.000 0.000 0.340 420 R C 0.364 176.715 176.300 0.086 0.000 1.076 420 R CA -0.098 56.051 56.100 0.082 0.000 0.920 420 R CB 0.568 30.923 30.300 0.092 0.000 1.062 420 R HN 0.698 nan 8.270 nan 0.000 0.469 421 G N 3.389 112.242 108.800 0.088 0.000 2.716 421 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.251 421 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.251 421 G C -1.273 173.686 174.900 0.099 0.000 1.224 421 G CA -0.938 44.210 45.100 0.081 0.000 0.891 421 G HN 0.421 nan 8.290 nan 0.000 0.561 422 P HA -0.067 nan 4.420 nan 0.000 0.223 422 P C 1.141 178.520 177.300 0.131 0.000 1.151 422 P CA 1.033 64.193 63.100 0.099 0.000 0.787 422 P CB 0.282 32.024 31.700 0.069 0.000 0.788 423 E N 1.325 121.588 120.200 0.106 0.000 2.023 423 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 423 E C 1.578 178.322 176.600 0.240 0.000 1.003 423 E CA 1.206 57.665 56.400 0.098 0.000 0.809 423 E CB -0.431 29.299 29.700 0.050 0.000 0.755 423 E HN 0.590 nan 8.360 nan 0.000 0.449 424 E N 0.978 121.317 120.200 0.232 0.000 2.403 424 E HA -0.000 4.349 4.350 -0.000 0.000 0.187 424 E C 1.400 178.138 176.600 0.230 0.000 1.073 424 E CA 0.020 56.580 56.400 0.267 0.000 0.888 424 E CB 0.090 29.897 29.700 0.179 0.000 1.035 424 E HN 0.322 nan 8.360 nan 0.000 0.471 425 E N 1.952 122.315 120.200 0.272 0.000 2.077 425 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 425 E C 2.064 178.830 176.600 0.277 0.000 0.989 425 E CA 1.233 57.774 56.400 0.235 0.000 0.800 425 E CB -0.135 29.680 29.700 0.192 0.000 0.746 425 E HN 0.532 nan 8.360 nan 0.000 0.452 426 H N 0.187 119.403 119.070 0.243 0.000 2.457 426 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 426 H C 2.001 177.544 175.328 0.359 0.000 1.092 426 H CA 0.682 56.895 56.048 0.275 0.000 1.309 426 H CB -0.466 29.485 29.762 0.315 0.000 1.382 426 H HN 0.156 nan 8.280 nan 0.000 0.535 427 L N 1.289 122.252 121.223 -0.434 0.000 2.270 427 L HA -0.130 4.210 4.340 -0.000 0.000 0.217 427 L C 2.066 178.989 176.870 0.089 0.000 1.107 427 L CA 1.644 56.338 54.840 -0.244 0.000 0.772 427 L CB -1.193 40.778 42.059 -0.146 0.000 0.902 427 L HN 0.789 nan 8.230 nan 0.000 0.439 428 G N -0.327 108.673 108.800 0.334 0.000 2.651 428 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.315 428 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.315 428 G C 1.182 176.124 174.900 0.069 0.000 1.258 428 G CA 0.573 45.963 45.100 0.484 0.000 1.002 428 G HN 0.381 nan 8.290 nan 0.000 0.551 429 I N 1.361 121.608 120.570 -0.538 0.000 2.830 429 I HA 0.166 4.335 4.170 -0.000 0.000 0.263 429 I C 1.509 177.384 176.117 -0.402 0.000 1.230 429 I CA 0.079 60.831 61.300 -0.913 0.000 1.480 429 I CB -0.286 36.798 38.000 -1.526 0.000 1.095 429 I HN 0.352 nan 8.210 nan 0.000 0.455 430 L N 0.833 121.919 121.223 -0.229 0.000 2.483 430 L HA 0.069 4.409 4.340 -0.000 0.000 0.277 430 L C 1.177 177.996 176.870 -0.086 0.000 1.248 430 L CA 0.192 54.933 54.840 -0.165 0.000 0.825 430 L CB -0.393 41.614 42.059 -0.086 0.000 1.096 430 L HN 0.139 nan 8.230 nan 0.000 0.512 431 G N 0.812 109.569 108.800 -0.072 0.000 2.535 431 G HA2 0.369 4.329 3.960 -0.000 0.000 0.282 431 G HA3 0.369 4.329 3.960 -0.000 0.000 0.282 431 G C -2.471 172.460 174.900 0.051 0.000 1.350 431 G CA -0.837 44.305 45.100 0.070 0.000 1.039 431 G HN 0.481 nan 8.290 nan 0.000 0.509 432 P HA 0.166 nan 4.420 nan 0.000 0.282 432 P C 0.057 177.403 177.300 0.076 0.000 1.262 432 P CA -0.248 62.918 63.100 0.109 0.000 0.773 432 P CB 1.304 33.098 31.700 0.158 0.000 0.879 433 V N 5.884 125.812 119.914 0.023 0.000 2.539 433 V HA -0.096 4.024 4.120 -0.000 0.000 0.300 433 V C 1.083 177.219 176.094 0.070 0.000 1.019 433 V CA 0.886 63.175 62.300 -0.018 0.000 1.160 433 V CB -0.728 31.086 31.823 -0.015 0.000 0.901 433 V HN 0.395 nan 8.190 nan 0.000 0.481 434 I N 6.631 127.151 120.570 -0.083 0.000 2.412 434 I HA 0.563 4.732 4.170 -0.000 0.000 0.296 434 I C -0.126 175.914 176.117 -0.129 0.000 0.987 434 I CA -0.341 60.641 61.300 -0.530 0.000 1.180 434 I CB 1.351 38.968 38.000 -0.639 0.000 1.340 434 I HN 0.760 nan 8.210 nan 0.000 0.455 435 W N 4.504 125.746 121.300 -0.096 0.000 3.042 435 W HA 0.874 5.534 4.660 -0.000 0.000 0.342 435 W C -1.424 175.163 176.519 0.113 0.000 1.240 435 W CA -1.185 56.175 57.345 0.025 0.000 1.166 435 W CB 1.307 30.801 29.460 0.056 0.000 1.469 435 W HN 0.649 nan 8.180 nan 0.000 0.579 436 A N 0.377 123.479 122.820 0.469 0.000 2.490 436 A HA 0.558 4.877 4.320 -0.000 0.000 0.292 436 A C -1.752 175.988 177.584 0.260 0.000 1.047 436 A CA -0.889 51.335 52.037 0.313 0.000 0.632 436 A CB 1.726 20.803 19.000 0.129 0.000 1.323 436 A HN 0.620 nan 8.150 nan 0.000 0.448 437 E N -0.424 119.881 120.200 0.175 0.000 2.249 437 E HA 0.535 4.885 4.350 -0.000 0.000 0.263 437 E C -0.865 175.790 176.600 0.091 0.000 0.950 437 E CA -1.051 55.421 56.400 0.120 0.000 0.827 437 E CB 2.278 32.028 29.700 0.083 0.000 1.220 437 E HN 0.417 nan 8.360 nan 0.000 0.411 438 V N 1.665 121.625 119.914 0.078 0.000 2.540 438 V HA 0.192 4.312 4.120 -0.000 0.000 0.297 438 V C 1.045 177.180 176.094 0.068 0.000 1.024 438 V CA 2.151 64.492 62.300 0.069 0.000 1.105 438 V CB 0.322 32.182 31.823 0.062 0.000 0.938 438 V HN 1.013 nan 8.190 nan 0.000 0.482 439 G N 3.936 112.778 108.800 0.071 0.000 2.138 439 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.193 439 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.193 439 G C -0.297 174.656 174.900 0.088 0.000 0.998 439 G CA -0.028 45.117 45.100 0.074 0.000 0.668 439 G HN 0.675 nan 8.290 nan 0.000 0.516 440 D N -0.302 120.153 120.400 0.091 0.000 2.592 440 D HA 0.815 5.455 4.640 -0.000 0.000 0.259 440 D C 0.218 176.573 176.300 0.090 0.000 1.144 440 D CA 0.044 54.106 54.000 0.103 0.000 1.080 440 D CB 1.204 42.063 40.800 0.097 0.000 1.225 440 D HN 0.050 nan 8.370 nan 0.000 0.619 441 T N 0.042 114.641 114.554 0.075 0.000 2.912 441 T HA 0.634 4.984 4.350 -0.000 0.000 0.299 441 T C -0.325 174.381 174.700 0.011 0.000 1.052 441 T CA -0.501 61.630 62.100 0.051 0.000 0.996 441 T CB 1.021 69.898 68.868 0.016 0.000 1.070 441 T HN 0.144 nan 8.240 nan 0.000 0.465 442 I N 2.115 122.685 120.570 0.001 0.000 2.530 442 I HA 0.561 4.731 4.170 -0.000 0.000 0.297 442 I C 0.047 175.968 176.117 -0.326 0.000 1.011 442 I CA -0.948 60.300 61.300 -0.086 0.000 1.107 442 I CB 1.924 39.953 38.000 0.049 0.000 1.285 442 I HN 0.275 nan 8.210 nan 0.000 0.436 443 R N 4.749 124.980 120.500 -0.447 0.000 2.545 443 R HA 0.460 4.800 4.340 -0.000 0.000 0.289 443 R C -1.517 174.395 176.300 -0.646 0.000 1.327 443 R CA -0.569 55.127 56.100 -0.674 0.000 1.040 443 R CB 2.055 31.819 30.300 -0.893 0.000 1.176 443 R HN 0.326 nan 8.270 nan 0.000 0.518 444 V N 2.651 122.178 119.914 -0.646 0.000 2.383 444 V HA 0.189 4.309 4.120 -0.000 0.000 0.275 444 V C 0.496 176.473 176.094 -0.195 0.000 1.036 444 V CA -0.192 61.863 62.300 -0.408 0.000 0.889 444 V CB 1.719 33.188 31.823 -0.590 0.000 0.985 444 V HN 0.583 nan 8.190 nan 0.000 0.459 445 T N 7.045 121.576 114.554 -0.037 0.000 3.005 445 T HA 0.306 4.656 4.350 -0.000 0.000 0.323 445 T C -0.333 174.608 174.700 0.401 0.000 1.131 445 T CA -0.015 62.184 62.100 0.164 0.000 0.977 445 T CB -0.444 68.608 68.868 0.306 0.000 1.055 445 T HN 0.401 nan 8.240 nan 0.000 0.562 446 F N 3.584 123.625 119.950 0.151 0.000 2.389 446 F HA 0.430 4.957 4.527 -0.000 0.000 0.337 446 F C 0.209 176.039 175.800 0.050 0.000 1.112 446 F CA -1.589 56.514 58.000 0.172 0.000 1.192 446 F CB 0.572 39.769 39.000 0.330 0.000 1.185 446 F HN 0.585 nan 8.300 nan 0.000 0.552 447 H N 4.672 123.305 119.070 -0.728 0.000 3.177 447 H HA 0.241 4.797 4.556 -0.000 0.000 0.314 447 H C -0.622 174.101 175.328 -1.008 0.000 1.059 447 H CA -0.829 54.660 56.048 -0.932 0.000 1.515 447 H CB 0.231 29.162 29.762 -1.385 0.000 1.672 447 H HN 0.633 nan 8.280 nan 0.000 0.514 448 N N 3.446 121.459 118.700 -1.145 0.000 2.416 448 N HA 0.039 4.778 4.740 -0.000 0.000 0.246 448 N C -0.164 175.133 175.510 -0.355 0.000 1.260 448 N CA 0.464 53.095 53.050 -0.699 0.000 0.897 448 N CB 0.786 38.969 38.487 -0.507 0.000 1.110 448 N HN 0.837 nan 8.380 nan 0.000 0.439 449 K N 0.039 120.370 120.400 -0.114 0.000 2.722 449 K HA 0.250 4.570 4.320 -0.000 0.000 0.174 449 K C -0.044 176.563 176.600 0.012 0.000 1.173 449 K CA -0.396 55.880 56.287 -0.020 0.000 1.143 449 K CB 0.587 33.133 32.500 0.076 0.000 0.850 449 K HN 0.595 nan 8.250 nan 0.000 0.477 450 G N -0.454 108.353 108.800 0.012 0.000 2.667 450 G HA2 0.524 4.484 3.960 -0.000 0.000 0.310 450 G HA3 0.524 4.484 3.960 -0.000 0.000 0.310 450 G C 0.251 175.141 174.900 -0.017 0.000 1.259 450 G CA -0.464 44.668 45.100 0.053 0.000 1.019 450 G HN 0.066 nan 8.290 nan 0.000 0.496 451 A N -1.055 121.726 122.820 -0.066 0.000 2.261 451 A HA 0.505 4.825 4.320 -0.000 0.000 0.208 451 A C -0.314 176.838 177.584 -0.720 0.000 1.223 451 A CA 0.418 52.224 52.037 -0.385 0.000 0.833 451 A CB -0.596 18.105 19.000 -0.498 0.000 0.830 451 A HN 0.461 nan 8.150 nan 0.000 0.483 452 Y N -1.343 118.953 120.300 -0.006 0.000 2.588 452 Y HA 0.484 5.034 4.550 -0.000 0.000 0.343 452 Y C -2.619 173.257 175.900 -0.039 0.000 1.065 452 Y CA -2.944 55.152 58.100 -0.006 0.000 1.038 452 Y CB 1.518 39.990 38.460 0.020 0.000 1.297 452 Y HN -0.080 nan 8.280 nan 0.000 0.467 453 P HA 0.444 nan 4.420 nan 0.000 0.277 453 P C -0.958 176.351 177.300 0.016 0.000 1.240 453 P CA 0.125 63.157 63.100 -0.113 0.000 0.798 453 P CB 1.762 33.194 31.700 -0.447 0.000 0.979 454 L N 0.417 121.678 121.223 0.064 0.000 2.598 454 L HA 0.689 5.029 4.340 -0.000 0.000 0.246 454 L C 0.075 177.136 176.870 0.318 0.000 1.124 454 L CA -0.681 54.280 54.840 0.201 0.000 1.019 454 L CB 1.404 43.633 42.059 0.285 0.000 1.583 454 L HN 0.657 nan 8.230 nan 0.000 0.386 455 S N -0.246 115.681 115.700 0.378 0.000 2.655 455 S HA 0.531 5.000 4.470 -0.000 0.000 0.263 455 S C -1.754 172.863 174.600 0.029 0.000 1.091 455 S CA -0.870 57.569 58.200 0.397 0.000 0.865 455 S CB 1.017 64.421 63.200 0.341 0.000 1.146 455 S HN 0.822 nan 8.310 nan 0.000 0.482 456 I N -1.317 119.122 120.570 -0.218 0.000 2.439 456 I HA 0.725 4.895 4.170 -0.000 0.000 0.285 456 I C -0.816 175.018 176.117 -0.471 0.000 1.021 456 I CA -0.389 60.654 61.300 -0.428 0.000 1.091 456 I CB 1.841 39.413 38.000 -0.714 0.000 1.242 456 I HN 0.588 nan 8.210 nan 0.000 0.439 457 E N 8.400 128.348 120.200 -0.421 0.000 2.174 457 E HA 0.491 4.841 4.350 -0.000 0.000 0.282 457 E C -2.611 173.620 176.600 -0.615 0.000 0.992 457 E CA -1.661 54.435 56.400 -0.506 0.000 0.803 457 E CB 2.358 31.731 29.700 -0.545 0.000 1.090 457 E HN 0.474 nan 8.360 nan 0.000 0.396 458 P HA 0.361 nan 4.420 nan 0.000 0.304 458 P C -0.463 176.626 177.300 -0.351 0.000 1.385 458 P CA -0.669 62.018 63.100 -0.689 0.000 0.896 458 P CB 1.091 31.867 31.700 -1.540 0.000 0.958 459 I N 2.765 123.183 120.570 -0.254 0.000 2.371 459 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 459 I C 1.663 177.685 176.117 -0.158 0.000 1.028 459 I CA 0.365 61.579 61.300 -0.143 0.000 1.345 459 I CB -0.264 37.613 38.000 -0.206 0.000 1.407 459 I HN 0.815 nan 8.210 nan 0.000 0.501 460 G N 5.040 113.774 108.800 -0.110 0.000 2.218 460 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 460 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 460 G C 0.072 174.908 174.900 -0.107 0.000 0.994 460 G CA 0.003 45.041 45.100 -0.103 0.000 0.637 460 G HN 0.738 nan 8.290 nan 0.000 0.505 461 V N -1.638 118.183 119.914 -0.154 0.000 2.994 461 V HA 0.935 5.055 4.120 -0.000 0.000 0.318 461 V C 0.244 176.255 176.094 -0.137 0.000 1.085 461 V CA -1.065 61.168 62.300 -0.112 0.000 0.998 461 V CB 1.733 33.478 31.823 -0.130 0.000 1.063 461 V HN 0.587 nan 8.190 nan 0.000 0.447 462 R N 2.275 122.741 120.500 -0.056 0.000 2.202 462 R HA 0.636 4.975 4.340 -0.000 0.000 0.334 462 R C -1.048 175.299 176.300 0.078 0.000 1.036 462 R CA -0.316 55.727 56.100 -0.095 0.000 0.878 462 R CB 0.427 30.706 30.300 -0.035 0.000 1.067 462 R HN 0.880 nan 8.270 nan 0.000 0.457 463 F N 2.298 122.273 119.950 0.042 0.000 2.588 463 F HA 0.547 5.074 4.527 -0.000 0.000 0.310 463 F C -0.858 175.094 175.800 0.252 0.000 1.082 463 F CA -1.884 56.225 58.000 0.182 0.000 0.929 463 F CB 0.718 39.841 39.000 0.206 0.000 1.254 463 F HN 0.605 nan 8.300 nan 0.000 0.455 464 N N 0.885 119.950 118.700 0.607 0.000 2.347 464 N HA 0.205 4.945 4.740 -0.000 0.000 0.253 464 N C 0.485 176.371 175.510 0.627 0.000 1.274 464 N CA -0.613 52.747 53.050 0.518 0.000 0.941 464 N CB 0.665 39.344 38.487 0.320 0.000 1.200 464 N HN 0.729 nan 8.380 nan 0.000 0.514 465 K N -0.687 119.953 120.400 0.399 0.000 2.360 465 K HA 0.040 4.359 4.320 -0.000 0.000 0.201 465 K C 0.532 177.231 176.600 0.165 0.000 1.046 465 K CA 0.891 57.308 56.287 0.217 0.000 0.945 465 K CB -0.207 32.251 32.500 -0.070 0.000 0.750 465 K HN 0.492 nan 8.250 nan 0.000 0.464 466 N N 0.242 119.052 118.700 0.184 0.000 2.457 466 N HA -0.046 4.694 4.740 -0.000 0.000 0.180 466 N C 0.376 176.007 175.510 0.201 0.000 1.050 466 N CA 0.679 53.813 53.050 0.140 0.000 0.906 466 N CB 0.087 38.659 38.487 0.140 0.000 0.968 466 N HN 0.296 nan 8.380 nan 0.000 0.445 467 N N 0.701 119.565 118.700 0.273 0.000 2.205 467 N HA -0.029 4.711 4.740 -0.000 0.000 0.201 467 N C -0.119 175.387 175.510 -0.006 0.000 1.128 467 N CA -0.071 53.163 53.050 0.307 0.000 0.867 467 N CB 0.881 39.619 38.487 0.418 0.000 0.996 467 N HN 0.234 nan 8.380 nan 0.000 0.503 468 E N 0.798 120.992 120.200 -0.010 0.000 2.529 468 E HA 0.013 4.363 4.350 -0.000 0.000 0.259 468 E C 1.071 177.657 176.600 -0.022 0.000 0.966 468 E CA 0.269 56.629 56.400 -0.066 0.000 0.937 468 E CB 0.434 30.269 29.700 0.225 0.000 0.923 468 E HN 0.259 nan 8.360 nan 0.000 0.468 469 G N 3.478 112.229 108.800 -0.081 0.000 3.189 469 G HA2 0.112 4.072 3.960 -0.000 0.000 0.225 469 G HA3 0.112 4.072 3.960 -0.000 0.000 0.225 469 G C -0.286 174.688 174.900 0.124 0.000 1.159 469 G CA 0.484 45.610 45.100 0.043 0.000 0.763 469 G HN 0.575 nan 8.290 nan 0.000 0.549 470 T N -2.639 112.021 114.554 0.178 0.000 2.865 470 T HA 0.543 4.892 4.350 -0.000 0.000 0.294 470 T C -1.809 173.025 174.700 0.224 0.000 1.119 470 T CA -0.844 61.397 62.100 0.234 0.000 1.007 470 T CB 2.488 71.547 68.868 0.319 0.000 1.225 470 T HN -0.035 nan 8.240 nan 0.000 0.515 471 Y N 2.195 122.538 120.300 0.071 0.000 2.326 471 Y HA 0.585 5.134 4.550 -0.000 0.000 0.329 471 Y C -1.766 174.174 175.900 0.066 0.000 0.973 471 Y CA -1.887 56.192 58.100 -0.036 0.000 1.162 471 Y CB 0.971 39.421 38.460 -0.015 0.000 1.147 471 Y HN 0.788 nan 8.280 nan 0.000 0.456 472 Y N 2.104 122.159 120.300 -0.408 0.000 2.442 472 Y HA 0.636 5.186 4.550 -0.000 0.000 0.344 472 Y C 0.160 175.756 175.900 -0.507 0.000 0.976 472 Y CA -0.892 57.013 58.100 -0.325 0.000 1.040 472 Y CB 1.568 40.025 38.460 -0.006 0.000 1.228 472 Y HN 0.369 nan 8.280 nan 0.000 0.451 473 S N 1.838 117.304 115.700 -0.390 0.000 2.438 473 S HA 0.359 4.829 4.470 -0.000 0.000 0.220 473 S C -1.661 172.722 174.600 -0.362 0.000 1.045 473 S CA 0.129 58.072 58.200 -0.429 0.000 0.940 473 S CB -0.802 62.204 63.200 -0.325 0.000 0.863 473 S HN 0.710 nan 8.310 nan 0.000 0.539 484 P HA 0.423 nan 4.420 nan 0.000 0.272 484 P C -2.878 174.367 177.300 -0.092 0.000 1.240 484 P CA -0.953 62.099 63.100 -0.080 0.000 0.791 484 P CB 0.225 31.871 31.700 -0.090 0.000 0.978 485 P HA 0.211 nan 4.420 nan 0.000 0.297 485 P C -0.917 176.150 177.300 -0.389 0.000 1.331 485 P CA -0.381 62.621 63.100 -0.163 0.000 0.803 485 P CB 0.870 32.491 31.700 -0.132 0.000 0.929 486 S N 1.570 117.038 115.700 -0.386 0.000 2.638 486 S HA 0.621 5.091 4.470 -0.000 0.000 0.298 486 S C 1.449 175.624 174.600 -0.708 0.000 1.111 486 S CA -0.352 57.493 58.200 -0.592 0.000 1.027 486 S CB 1.472 64.472 63.200 -0.333 0.000 1.064 486 S HN 0.372 nan 8.310 nan 0.000 0.525 487 A N 1.761 124.066 122.820 -0.858 0.000 1.958 487 A HA -0.125 4.195 4.320 -0.000 0.000 0.221 487 A C 2.085 179.733 177.584 0.108 0.000 1.178 487 A CA 2.301 54.141 52.037 -0.329 0.000 0.642 487 A CB -1.457 17.595 19.000 0.086 0.000 0.816 487 A HN 0.925 nan 8.150 nan 0.000 0.453 488 S N -1.984 113.717 115.700 0.003 0.000 2.478 488 S HA 0.036 4.506 4.470 -0.000 0.000 0.222 488 S C 0.755 175.431 174.600 0.127 0.000 1.008 488 S CA 0.364 58.620 58.200 0.093 0.000 0.928 488 S CB -0.043 63.189 63.200 0.052 0.000 0.781 488 S HN 0.722 nan 8.310 nan 0.000 0.518 489 H N 0.599 119.624 119.070 -0.076 0.000 3.108 489 H HA 0.471 5.027 4.556 -0.000 0.000 0.301 489 H C -1.911 173.365 175.328 -0.087 0.000 1.139 489 H CA -0.212 55.803 56.048 -0.056 0.000 1.552 489 H CB 0.949 30.650 29.762 -0.101 0.000 1.663 489 H HN -0.026 nan 8.280 nan 0.000 0.517 490 V N 4.642 124.455 119.914 -0.168 0.000 2.311 490 V HA 0.394 4.514 4.120 -0.000 0.000 0.275 490 V C 0.622 176.548 176.094 -0.279 0.000 1.022 490 V CA -0.449 61.764 62.300 -0.145 0.000 0.830 490 V CB 0.806 32.632 31.823 0.005 0.000 1.012 490 V HN 0.856 nan 8.190 nan 0.000 0.452 491 A N 7.033 129.711 122.820 -0.237 0.000 2.366 491 A HA 0.477 4.797 4.320 -0.000 0.000 0.249 491 A C -0.960 176.512 177.584 -0.187 0.000 1.084 491 A CA -1.009 50.911 52.037 -0.194 0.000 0.794 491 A CB -0.152 18.838 19.000 -0.016 0.000 1.034 491 A HN 0.692 nan 8.150 nan 0.000 0.491 492 P HA -0.210 nan 4.420 nan 0.000 0.223 492 P C 0.900 178.083 177.300 -0.196 0.000 1.153 492 P CA 2.574 65.585 63.100 -0.149 0.000 0.853 492 P CB 0.186 31.813 31.700 -0.122 0.000 0.777 493 T N -3.810 110.615 114.554 -0.215 0.000 3.009 493 T HA 0.091 4.440 4.350 -0.000 0.000 0.267 493 T C 0.490 174.968 174.700 -0.369 0.000 0.942 493 T CA -0.284 61.654 62.100 -0.269 0.000 0.883 493 T CB 0.224 68.996 68.868 -0.160 0.000 1.192 493 T HN 0.190 nan 8.240 nan 0.000 0.524 494 E N 2.312 122.332 120.200 -0.300 0.000 2.585 494 E HA 0.400 4.750 4.350 -0.000 0.000 0.256 494 E C 0.280 176.637 176.600 -0.405 0.000 1.383 494 E CA -0.089 56.150 56.400 -0.268 0.000 1.029 494 E CB 0.352 29.950 29.700 -0.169 0.000 1.044 494 E HN 0.329 nan 8.360 nan 0.000 0.595 495 T N -1.667 112.739 114.554 -0.246 0.000 2.889 495 T HA 0.575 4.925 4.350 -0.000 0.000 0.315 495 T C -1.485 173.226 174.700 0.020 0.000 1.291 495 T CA -0.864 61.109 62.100 -0.211 0.000 1.028 495 T CB 1.154 69.940 68.868 -0.136 0.000 1.235 495 T HN 0.388 nan 8.240 nan 0.000 0.491 496 F N 0.761 120.621 119.950 -0.151 0.000 2.631 496 F HA 0.668 5.195 4.527 -0.000 0.000 0.308 496 F C -1.012 174.674 175.800 -0.190 0.000 1.097 496 F CA -0.638 57.237 58.000 -0.210 0.000 0.952 496 F CB 2.430 41.211 39.000 -0.365 0.000 1.307 496 F HN 0.731 nan 8.300 nan 0.000 0.450 497 T N 4.908 118.737 114.554 -1.208 0.000 3.042 497 T HA 0.351 4.701 4.350 -0.000 0.000 0.356 497 T C -0.909 173.095 174.700 -1.160 0.000 1.233 497 T CA -0.153 61.428 62.100 -0.864 0.000 1.038 497 T CB -0.547 68.041 68.868 -0.467 0.000 1.089 497 T HN 0.305 nan 8.240 nan 0.000 0.531 498 Y N 1.924 121.710 120.300 -0.857 0.000 2.411 498 Y HA 0.288 4.838 4.550 -0.000 0.000 0.333 498 Y C 1.038 176.448 175.900 -0.817 0.000 1.186 498 Y CA -0.423 57.255 58.100 -0.702 0.000 1.381 498 Y CB 0.586 38.638 38.460 -0.679 0.000 1.273 498 Y HN 0.502 nan 8.280 nan 0.000 0.546 499 E N 3.333 123.293 120.200 -0.400 0.000 2.224 499 E HA 0.308 4.658 4.350 -0.000 0.000 0.265 499 E C -1.769 174.792 176.600 -0.065 0.000 0.878 499 E CA -0.679 55.525 56.400 -0.326 0.000 0.759 499 E CB 0.900 30.506 29.700 -0.157 0.000 1.164 499 E HN 0.527 nan 8.360 nan 0.000 0.414 500 W N 1.811 123.119 121.300 0.013 0.000 2.882 500 W HA 0.474 5.134 4.660 -0.000 0.000 0.345 500 W C -0.549 175.995 176.519 0.042 0.000 1.125 500 W CA -0.828 56.557 57.345 0.066 0.000 1.167 500 W CB 1.618 31.098 29.460 0.033 0.000 1.431 500 W HN 0.325 nan 8.180 nan 0.000 0.543 501 T N 1.078 115.812 114.554 0.299 0.000 2.893 501 T HA 0.506 4.856 4.350 -0.000 0.000 0.291 501 T C -0.780 173.998 174.700 0.130 0.000 1.028 501 T CA -0.581 61.621 62.100 0.170 0.000 0.995 501 T CB 2.208 71.155 68.868 0.132 0.000 1.051 501 T HN 0.064 nan 8.240 nan 0.000 0.470 502 V N 4.239 124.214 119.914 0.101 0.000 2.320 502 V HA 0.305 4.425 4.120 -0.000 0.000 0.257 502 V C -2.182 173.949 176.094 0.063 0.000 0.996 502 V CA -1.604 60.742 62.300 0.075 0.000 0.928 502 V CB 0.277 32.150 31.823 0.083 0.000 1.169 502 V HN 0.667 nan 8.190 nan 0.000 0.475 503 P HA 0.213 nan 4.420 nan 0.000 0.276 503 P C 0.674 177.997 177.300 0.038 0.000 1.261 503 P CA -0.351 62.776 63.100 0.045 0.000 0.800 503 P CB 1.893 33.616 31.700 0.037 0.000 1.066 504 K N 1.894 122.318 120.400 0.039 0.000 2.034 504 K HA -0.201 4.119 4.320 -0.000 0.000 0.214 504 K C 1.303 177.922 176.600 0.031 0.000 1.051 504 K CA 1.922 58.232 56.287 0.039 0.000 0.931 504 K CB -0.997 31.527 32.500 0.040 0.000 0.715 504 K HN 0.526 nan 8.250 nan 0.000 0.446 505 E N 0.824 121.037 120.200 0.021 0.000 2.888 505 E HA -0.012 4.338 4.350 -0.000 0.000 0.271 505 E C 0.300 176.892 176.600 -0.013 0.000 1.527 505 E CA 0.257 56.661 56.400 0.006 0.000 1.700 505 E CB -0.059 29.639 29.700 -0.003 0.000 1.410 505 E HN 0.163 nan 8.360 nan 0.000 0.445 506 V N -1.141 118.772 119.914 -0.000 0.000 3.991 506 V HA 0.183 4.303 4.120 -0.000 0.000 0.287 506 V C 0.320 176.420 176.094 0.010 0.000 1.744 506 V CA 0.379 62.670 62.300 -0.015 0.000 1.275 506 V CB 0.623 32.425 31.823 -0.034 0.000 0.997 506 V HN 0.440 nan 8.190 nan 0.000 0.373 507 G N 0.557 109.375 108.800 0.031 0.000 2.644 507 G HA2 0.668 4.628 3.960 -0.000 0.000 0.307 507 G HA3 0.668 4.628 3.960 -0.000 0.000 0.307 507 G C -3.076 171.861 174.900 0.062 0.000 1.250 507 G CA -1.793 43.335 45.100 0.048 0.000 0.996 507 G HN 0.093 nan 8.290 nan 0.000 0.489 508 P HA 0.067 nan 4.420 nan 0.000 0.259 508 P C 0.479 177.835 177.300 0.093 0.000 1.163 508 P CA 0.400 63.556 63.100 0.093 0.000 0.760 508 P CB 0.247 32.005 31.700 0.096 0.000 0.762 509 T N 2.825 117.448 114.554 0.114 0.000 2.802 509 T HA 0.007 4.357 4.350 -0.000 0.000 0.305 509 T C 1.582 176.349 174.700 0.111 0.000 1.053 509 T CA -0.221 61.945 62.100 0.111 0.000 1.058 509 T CB 0.234 69.185 68.868 0.140 0.000 0.988 509 T HN 0.341 nan 8.240 nan 0.000 0.539 510 N N 1.471 120.223 118.700 0.087 0.000 2.061 510 N HA -0.120 4.620 4.740 -0.000 0.000 0.193 510 N C 1.932 177.508 175.510 0.110 0.000 1.030 510 N CA 1.546 54.644 53.050 0.080 0.000 0.856 510 N CB -0.683 37.838 38.487 0.055 0.000 1.023 510 N HN 0.757 nan 8.380 nan 0.000 0.424 511 A N 0.197 123.101 122.820 0.141 0.000 2.239 511 A HA -0.027 4.293 4.320 -0.000 0.000 0.209 511 A C 0.547 178.323 177.584 0.321 0.000 1.171 511 A CA 0.412 52.591 52.037 0.236 0.000 0.768 511 A CB -0.118 19.010 19.000 0.215 0.000 0.790 511 A HN 0.119 nan 8.150 nan 0.000 0.478 512 D N 0.354 120.900 120.400 0.242 0.000 2.354 512 D HA 0.320 4.960 4.640 -0.000 0.000 0.247 512 D C -1.921 174.445 176.300 0.109 0.000 1.138 512 D CA -1.280 52.816 54.000 0.160 0.000 0.958 512 D CB 0.769 41.665 40.800 0.159 0.000 1.144 512 D HN 0.143 nan 8.370 nan 0.000 0.458 513 P HA 0.035 nan 4.420 nan 0.000 0.302 513 P C 0.846 178.212 177.300 0.110 0.000 1.301 513 P CA -0.325 62.839 63.100 0.106 0.000 0.745 513 P CB 0.675 32.449 31.700 0.122 0.000 1.331 514 V N -1.490 118.489 119.914 0.108 0.000 2.591 514 V HA -0.050 4.070 4.120 -0.000 0.000 0.249 514 V C 1.127 177.283 176.094 0.105 0.000 1.053 514 V CA 1.276 63.631 62.300 0.092 0.000 1.068 514 V CB -0.521 31.344 31.823 0.070 0.000 0.689 514 V HN 0.494 nan 8.190 nan 0.000 0.462 515 c N 0.165 118.853 118.600 0.146 0.000 2.698 515 c HA 0.622 5.192 4.570 -0.000 0.000 0.309 515 c C -0.320 173.907 174.090 0.228 0.000 1.186 515 c CA -1.046 55.387 56.329 0.174 0.000 1.474 515 c CB 1.432 44.066 42.510 0.206 0.000 2.020 515 c HN 0.297 nan 8.230 nan 0.000 0.474 516 L N 2.918 124.237 121.223 0.160 0.000 2.282 516 L HA 0.580 4.919 4.340 -0.000 0.000 0.288 516 L C 0.711 177.662 176.870 0.136 0.000 1.033 516 L CA -0.152 54.790 54.840 0.171 0.000 0.807 516 L CB 1.119 43.250 42.059 0.119 0.000 1.209 516 L HN 0.866 nan 8.230 nan 0.000 0.423 517 A N 4.643 127.614 122.820 0.252 0.000 2.520 517 A HA 0.420 4.740 4.320 -0.000 0.000 0.245 517 A C -0.058 177.613 177.584 0.145 0.000 1.072 517 A CA 0.112 52.291 52.037 0.236 0.000 0.761 517 A CB 0.126 19.401 19.000 0.457 0.000 1.004 517 A HN 0.635 nan 8.150 nan 0.000 0.499 518 K N 0.797 121.237 120.400 0.067 0.000 2.213 518 K HA 0.761 5.081 4.320 -0.000 0.000 0.254 518 K C -0.298 176.164 176.600 -0.230 0.000 1.062 518 K CA -0.416 55.837 56.287 -0.056 0.000 0.884 518 K CB 1.675 34.133 32.500 -0.069 0.000 1.437 518 K HN 1.002 nan 8.250 nan 0.000 0.464 519 M N -0.826 118.571 119.600 -0.337 0.000 2.880 519 M HA 0.588 5.068 4.480 -0.000 0.000 0.269 519 M C -1.863 174.247 176.300 -0.318 0.000 1.248 519 M CA -0.932 54.032 55.300 -0.560 0.000 0.821 519 M CB 2.531 34.593 32.600 -0.897 0.000 1.650 519 M HN 0.497 nan 8.290 nan 0.000 0.479 520 Y N -0.643 119.436 120.300 -0.368 0.000 2.521 520 Y HA 0.815 5.365 4.550 -0.000 0.000 0.332 520 Y C -2.202 173.551 175.900 -0.245 0.000 1.121 520 Y CA -1.249 56.605 58.100 -0.411 0.000 1.037 520 Y CB 0.720 38.895 38.460 -0.474 0.000 1.330 520 Y HN 0.919 nan 8.280 nan 0.000 0.452 521 Y N -0.495 119.798 120.300 -0.012 0.000 2.655 521 Y HA 0.736 5.286 4.550 -0.000 0.000 0.336 521 Y C -0.709 175.261 175.900 0.117 0.000 1.154 521 Y CA -1.720 56.401 58.100 0.035 0.000 1.055 521 Y CB 1.152 39.557 38.460 -0.092 0.000 1.295 521 Y HN 0.736 nan 8.280 nan 0.000 0.465 522 S N 0.649 116.517 115.700 0.279 0.000 2.430 522 S HA 0.564 5.034 4.470 -0.000 0.000 0.282 522 S C 0.265 174.986 174.600 0.201 0.000 1.186 522 S CA 0.099 58.410 58.200 0.185 0.000 1.060 522 S CB -0.304 62.977 63.200 0.135 0.000 0.966 522 S HN 1.083 nan 8.310 nan 0.000 0.501 523 A N 5.137 128.032 122.820 0.124 0.000 2.842 523 A HA 0.374 4.694 4.320 -0.000 0.000 0.298 523 A C 1.260 178.954 177.584 0.183 0.000 1.293 523 A CA -0.374 51.773 52.037 0.184 0.000 0.959 523 A CB -0.150 18.934 19.000 0.140 0.000 1.119 523 A HN 0.715 nan 8.150 nan 0.000 0.564 524 V N -0.123 119.891 119.914 0.166 0.000 2.379 524 V HA -0.046 4.074 4.120 -0.000 0.000 0.245 524 V C 0.542 176.736 176.094 0.166 0.000 1.044 524 V CA 2.323 64.723 62.300 0.166 0.000 1.036 524 V CB 0.132 32.036 31.823 0.135 0.000 0.664 524 V HN 0.739 nan 8.190 nan 0.000 0.453 525 D N -2.325 118.162 120.400 0.145 0.000 2.472 525 D HA 0.262 4.902 4.640 -0.000 0.000 0.248 525 D C -1.961 174.407 176.300 0.115 0.000 1.271 525 D CA -1.537 52.538 54.000 0.126 0.000 0.888 525 D CB 1.563 42.421 40.800 0.097 0.000 1.337 525 D HN 0.029 nan 8.370 nan 0.000 0.526 526 P HA -0.216 nan 4.420 nan 0.000 0.217 526 P C 1.508 178.810 177.300 0.004 0.000 1.158 526 P CA 2.164 65.323 63.100 0.098 0.000 0.887 526 P CB 0.023 31.803 31.700 0.135 0.000 0.792 527 T N -3.497 111.079 114.554 0.036 0.000 2.996 527 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 527 T C 1.535 176.306 174.700 0.119 0.000 1.126 527 T CA 1.439 63.572 62.100 0.054 0.000 1.103 527 T CB -0.494 68.425 68.868 0.085 0.000 0.870 527 T HN 0.161 nan 8.240 nan 0.000 0.528 528 K N -0.908 119.546 120.400 0.089 0.000 2.493 528 K HA 0.149 4.469 4.320 -0.000 0.000 0.201 528 K C 1.642 178.285 176.600 0.072 0.000 1.355 528 K CA 0.270 56.625 56.287 0.112 0.000 0.953 528 K CB 0.515 33.053 32.500 0.063 0.000 1.316 528 K HN 0.086 nan 8.250 nan 0.000 0.522 529 D N 1.868 122.292 120.400 0.039 0.000 2.087 529 D HA -0.178 4.462 4.640 -0.000 0.000 0.192 529 D C 1.819 178.129 176.300 0.016 0.000 0.993 529 D CA 1.306 55.321 54.000 0.026 0.000 0.828 529 D CB -0.255 40.584 40.800 0.065 0.000 0.968 529 D HN 0.102 nan 8.370 nan 0.000 0.448 530 I N 0.341 120.890 120.570 -0.034 0.000 2.068 530 I HA -0.335 3.834 4.170 -0.000 0.000 0.238 530 I C 2.283 178.420 176.117 0.034 0.000 1.046 530 I CA 1.152 62.392 61.300 -0.101 0.000 1.306 530 I CB -0.400 37.384 38.000 -0.360 0.000 1.023 530 I HN -0.081 nan 8.210 nan 0.000 0.399 531 F N 0.909 120.937 119.950 0.131 0.000 2.287 531 F HA -0.236 4.290 4.527 -0.000 0.000 0.301 531 F C 2.650 178.585 175.800 0.225 0.000 1.069 531 F CA 1.601 59.753 58.000 0.254 0.000 1.372 531 F CB -1.480 37.589 39.000 0.115 0.000 1.056 531 F HN 0.091 nan 8.300 nan 0.000 0.523 532 T N -1.764 112.924 114.554 0.223 0.000 2.942 532 T HA 0.192 4.541 4.350 -0.000 0.000 0.265 532 T C 1.885 176.550 174.700 -0.059 0.000 1.062 532 T CA 1.418 63.557 62.100 0.065 0.000 1.139 532 T CB -0.304 68.567 68.868 0.005 0.000 0.883 532 T HN 0.454 nan 8.240 nan 0.000 0.468 533 G N 0.333 109.104 108.800 -0.049 0.000 3.288 533 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.219 533 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.219 533 G C -0.146 174.646 174.900 -0.180 0.000 0.944 533 G CA -0.780 44.205 45.100 -0.192 0.000 0.854 533 G HN 0.338 nan 8.290 nan 0.000 0.632 534 L N 1.959 123.097 121.223 -0.141 0.000 2.422 534 L HA 0.718 5.058 4.340 -0.000 0.000 0.256 534 L C -0.209 176.706 176.870 0.075 0.000 1.202 534 L CA -0.396 54.323 54.840 -0.201 0.000 1.119 534 L CB 0.744 42.592 42.059 -0.351 0.000 1.383 534 L HN 0.240 nan 8.230 nan 0.000 0.411 535 I N 0.567 121.127 120.570 -0.017 0.000 2.607 535 I HA 0.850 5.020 4.170 -0.000 0.000 0.290 535 I C -0.195 175.653 176.117 -0.448 0.000 1.129 535 I CA -0.407 60.755 61.300 -0.230 0.000 1.042 535 I CB 2.024 39.762 38.000 -0.436 0.000 1.242 535 I HN 0.238 nan 8.210 nan 0.000 0.421 536 G N 7.077 115.314 108.800 -0.938 0.000 2.659 536 G HA2 0.706 4.666 3.960 -0.000 0.000 0.296 536 G HA3 0.706 4.666 3.960 -0.000 0.000 0.296 536 G C -3.263 171.050 174.900 -0.978 0.000 1.369 536 G CA -1.355 43.128 45.100 -1.027 0.000 0.937 536 G HN 0.428 nan 8.290 nan 0.000 0.485 537 P HA 0.343 nan 4.420 nan 0.000 0.272 537 P C -0.548 176.621 177.300 -0.218 0.000 1.240 537 P CA -0.125 62.858 63.100 -0.196 0.000 0.791 537 P CB 1.617 33.180 31.700 -0.229 0.000 0.978 538 M N 0.678 120.199 119.600 -0.133 0.000 2.578 538 M HA 0.441 4.920 4.480 -0.000 0.000 0.276 538 M C -1.781 174.495 176.300 -0.040 0.000 1.245 538 M CA -0.685 54.584 55.300 -0.052 0.000 0.871 538 M CB 2.771 35.347 32.600 -0.040 0.000 1.722 538 M HN 0.279 nan 8.290 nan 0.000 0.473 539 K N 3.563 123.976 120.400 0.022 0.000 2.615 539 K HA 0.525 4.845 4.320 -0.000 0.000 0.249 539 K C -2.322 174.329 176.600 0.086 0.000 0.977 539 K CA -0.522 55.761 56.287 -0.007 0.000 0.833 539 K CB 1.409 33.877 32.500 -0.053 0.000 1.208 539 K HN 0.592 nan 8.250 nan 0.000 0.443 540 I N 4.494 125.098 120.570 0.057 0.000 2.354 540 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 540 I C -0.644 175.527 176.117 0.091 0.000 0.989 540 I CA -0.215 61.136 61.300 0.084 0.000 1.188 540 I CB 1.304 39.337 38.000 0.054 0.000 1.342 540 I HN 0.685 nan 8.210 nan 0.000 0.457 541 c N 4.678 123.342 118.600 0.106 0.000 2.848 541 c HA 0.504 5.074 4.570 -0.000 0.000 0.317 541 c C 0.077 174.215 174.090 0.080 0.000 1.260 541 c CA -1.436 54.948 56.329 0.092 0.000 1.656 541 c CB 1.888 44.448 42.510 0.083 0.000 2.174 541 c HN 0.591 nan 8.230 nan 0.000 0.479 542 K N 1.298 121.741 120.400 0.071 0.000 2.414 542 K HA 0.053 4.373 4.320 -0.000 0.000 0.272 542 K C 0.110 176.742 176.600 0.054 0.000 0.993 542 K CA 0.082 56.407 56.287 0.062 0.000 0.964 542 K CB 0.470 33.005 32.500 0.059 0.000 0.925 542 K HN 0.613 nan 8.250 nan 0.000 0.487 543 K N 0.810 121.241 120.400 0.052 0.000 2.472 543 K HA -0.077 4.243 4.320 -0.000 0.000 0.280 543 K C 0.438 177.058 176.600 0.032 0.000 1.028 543 K CA 1.074 57.388 56.287 0.045 0.000 1.045 543 K CB -0.119 32.410 32.500 0.048 0.000 0.902 543 K HN 0.819 nan 8.250 nan 0.000 0.478 544 G N 2.980 111.793 108.800 0.021 0.000 2.256 544 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.272 544 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.272 544 G C 0.211 175.103 174.900 -0.013 0.000 1.076 544 G CA 0.472 45.577 45.100 0.007 0.000 0.882 544 G HN 0.747 nan 8.290 nan 0.000 0.497 545 S N -1.598 114.089 115.700 -0.022 0.000 2.603 545 S HA 0.633 5.103 4.470 -0.000 0.000 0.232 545 S C 0.560 175.085 174.600 -0.124 0.000 1.016 545 S CA -0.189 57.979 58.200 -0.053 0.000 0.976 545 S CB 0.607 63.800 63.200 -0.011 0.000 0.921 545 S HN 0.571 nan 8.310 nan 0.000 0.516 546 L N 1.267 122.418 121.223 -0.119 0.000 2.354 546 L HA 0.597 4.936 4.340 -0.000 0.000 0.264 546 L C -0.245 176.537 176.870 -0.146 0.000 1.008 546 L CA -1.047 53.684 54.840 -0.181 0.000 0.819 546 L CB 1.723 43.694 42.059 -0.146 0.000 1.339 546 L HN 0.189 nan 8.230 nan 0.000 0.420 547 H N -0.148 118.868 119.070 -0.090 0.000 2.505 547 H HA 0.239 4.795 4.556 -0.000 0.000 0.358 547 H C 0.894 176.199 175.328 -0.039 0.000 1.304 547 H CA 0.021 56.038 56.048 -0.051 0.000 1.393 547 H CB 1.481 31.209 29.762 -0.058 0.000 1.591 547 H HN 0.801 nan 8.280 nan 0.000 0.595 548 A N 1.034 123.963 122.820 0.180 0.000 2.032 548 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 548 A C 1.709 179.398 177.584 0.176 0.000 1.165 548 A CA 1.921 54.057 52.037 0.166 0.000 0.645 548 A CB -0.541 18.535 19.000 0.127 0.000 0.807 548 A HN 0.842 nan 8.150 nan 0.000 0.453 549 N N -1.228 117.520 118.700 0.081 0.000 2.467 549 N HA 0.192 4.932 4.740 -0.000 0.000 0.184 549 N C 1.079 176.486 175.510 -0.171 0.000 1.106 549 N CA 1.161 54.239 53.050 0.047 0.000 0.892 549 N CB -0.434 38.066 38.487 0.022 0.000 0.969 549 N HN 0.873 nan 8.380 nan 0.000 0.454 550 G N 0.174 108.639 108.800 -0.557 0.000 2.141 550 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.231 550 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.231 550 G C -0.325 174.108 174.900 -0.778 0.000 0.984 550 G CA -0.343 43.849 45.100 -1.512 0.000 0.660 550 G HN 0.417 nan 8.290 nan 0.000 0.525 551 R N 0.286 120.573 120.500 -0.356 0.000 2.407 551 R HA 0.477 4.817 4.340 -0.000 0.000 0.303 551 R C 0.507 176.693 176.300 -0.189 0.000 0.981 551 R CA -0.731 55.247 56.100 -0.203 0.000 0.905 551 R CB 1.137 31.389 30.300 -0.081 0.000 1.099 551 R HN 0.373 nan 8.270 nan 0.000 0.459 552 Q N 1.740 121.439 119.800 -0.170 0.000 2.479 552 Q HA -0.061 4.279 4.340 -0.000 0.000 0.267 552 Q C 0.785 176.650 176.000 -0.225 0.000 1.071 552 Q CA 0.626 56.325 55.803 -0.174 0.000 0.935 552 Q CB 0.825 29.495 28.738 -0.113 0.000 1.295 552 Q HN 0.447 nan 8.270 nan 0.000 0.476 553 K N 0.933 121.159 120.400 -0.289 0.000 2.103 553 K HA -0.074 4.245 4.320 -0.000 0.000 0.204 553 K C 0.246 176.810 176.600 -0.061 0.000 1.052 553 K CA 0.969 57.044 56.287 -0.353 0.000 0.945 553 K CB 0.353 32.666 32.500 -0.311 0.000 0.722 553 K HN 0.514 nan 8.250 nan 0.000 0.443 554 D N 0.779 121.165 120.400 -0.023 0.000 2.623 554 D HA 0.098 4.737 4.640 -0.000 0.000 0.252 554 D C -0.900 175.417 176.300 0.028 0.000 1.294 554 D CA 0.093 54.114 54.000 0.035 0.000 0.824 554 D CB 1.068 41.905 40.800 0.061 0.000 1.070 554 D HN -0.158 nan 8.370 nan 0.000 0.487 555 V N 1.605 121.501 119.914 -0.030 0.000 2.398 555 V HA 0.101 4.221 4.120 -0.000 0.000 0.286 555 V C 0.996 177.019 176.094 -0.118 0.000 1.026 555 V CA -0.539 61.703 62.300 -0.096 0.000 0.868 555 V CB 2.291 33.999 31.823 -0.191 0.000 0.982 555 V HN -0.052 nan 8.190 nan 0.000 0.443 556 D N 2.481 122.806 120.400 -0.126 0.000 2.123 556 D HA 0.027 4.667 4.640 -0.000 0.000 0.200 556 D C 0.496 176.657 176.300 -0.232 0.000 0.976 556 D CA 1.219 55.142 54.000 -0.128 0.000 0.831 556 D CB 0.350 41.107 40.800 -0.072 0.000 0.974 556 D HN 0.344 nan 8.370 nan 0.000 0.469 557 K N 0.830 121.015 120.400 -0.359 0.000 2.468 557 K HA 0.407 4.727 4.320 -0.000 0.000 0.252 557 K C -0.782 175.344 176.600 -0.789 0.000 0.932 557 K CA -0.349 55.577 56.287 -0.602 0.000 0.794 557 K CB 2.732 34.833 32.500 -0.665 0.000 1.241 557 K HN -0.054 nan 8.250 nan 0.000 0.428 558 E N 2.406 122.087 120.200 -0.864 0.000 2.185 558 E HA 0.394 4.744 4.350 -0.000 0.000 0.261 558 E C -0.962 175.058 176.600 -0.967 0.000 0.879 558 E CA -0.497 55.438 56.400 -0.775 0.000 0.756 558 E CB 1.086 30.567 29.700 -0.366 0.000 1.152 558 E HN 0.238 nan 8.360 nan 0.000 0.416 559 F N 1.474 120.949 119.950 -0.792 0.000 2.523 559 F HA 0.484 5.011 4.527 -0.000 0.000 0.329 559 F C -0.531 175.035 175.800 -0.391 0.000 1.061 559 F CA -0.725 56.894 58.000 -0.635 0.000 0.967 559 F CB 1.114 39.603 39.000 -0.851 0.000 1.218 559 F HN 0.327 nan 8.300 nan 0.000 0.480 560 Y N 2.076 122.778 120.300 0.670 0.000 2.346 560 Y HA 0.631 5.181 4.550 -0.000 0.000 0.332 560 Y C -0.879 175.178 175.900 0.262 0.000 0.985 560 Y CA -0.721 57.627 58.100 0.413 0.000 1.112 560 Y CB 1.626 40.284 38.460 0.330 0.000 1.170 560 Y HN 0.330 nan 8.280 nan 0.000 0.447 561 L N 4.266 125.582 121.223 0.155 0.000 2.362 561 L HA 0.549 4.889 4.340 -0.000 0.000 0.275 561 L C -1.389 175.305 176.870 -0.294 0.000 0.998 561 L CA -0.778 54.075 54.840 0.023 0.000 0.820 561 L CB 1.865 43.949 42.059 0.040 0.000 1.270 561 L HN 0.653 nan 8.230 nan 0.000 0.415 562 F N 6.608 126.348 119.950 -0.351 0.000 2.676 562 F HA 0.543 5.070 4.527 -0.000 0.000 0.371 562 F C -2.574 173.096 175.800 -0.217 0.000 1.141 562 F CA -1.875 55.902 58.000 -0.372 0.000 1.133 562 F CB 1.391 40.280 39.000 -0.184 0.000 1.376 562 F HN 0.146 nan 8.300 nan 0.000 0.491 563 P HA 0.503 nan 4.420 nan 0.000 0.296 563 P C -1.147 175.578 177.300 -0.960 0.000 1.306 563 P CA -0.088 62.620 63.100 -0.654 0.000 0.818 563 P CB 2.296 33.575 31.700 -0.701 0.000 0.969 564 T N 0.882 115.022 114.554 -0.691 0.000 2.718 564 T HA 0.249 4.598 4.350 -0.000 0.000 0.306 564 T C -0.797 173.700 174.700 -0.339 0.000 1.485 564 T CA -0.403 61.351 62.100 -0.576 0.000 0.997 564 T CB 1.000 69.345 68.868 -0.870 0.000 1.504 564 T HN 0.033 nan 8.240 nan 0.000 0.497 565 V N 2.011 121.772 119.914 -0.256 0.000 2.257 565 V HA 0.386 4.506 4.120 -0.000 0.000 0.269 565 V C -0.710 175.229 176.094 -0.258 0.000 1.040 565 V CA -0.613 61.502 62.300 -0.308 0.000 0.813 565 V CB -0.439 31.169 31.823 -0.360 0.000 1.065 565 V HN 0.727 nan 8.190 nan 0.000 0.457 566 F N 2.882 122.761 119.950 -0.119 0.000 2.518 566 F HA 0.116 4.643 4.527 -0.000 0.000 0.375 566 F C 1.075 176.649 175.800 -0.377 0.000 1.097 566 F CA 0.082 58.071 58.000 -0.018 0.000 1.108 566 F CB 0.117 39.125 39.000 0.014 0.000 1.078 566 F HN 0.433 nan 8.300 nan 0.000 0.564 567 D N 4.634 124.658 120.400 -0.627 0.000 2.435 567 D HA 0.006 4.646 4.640 -0.000 0.000 0.230 567 D C 1.143 177.179 176.300 -0.440 0.000 1.215 567 D CA 0.138 53.637 54.000 -0.834 0.000 0.947 567 D CB 0.453 40.302 40.800 -1.585 0.000 1.048 567 D HN 0.457 nan 8.370 nan 0.000 0.512 568 E N 2.172 122.179 120.200 -0.321 0.000 2.204 568 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 568 E C 1.175 177.730 176.600 -0.076 0.000 0.989 568 E CA 0.454 56.731 56.400 -0.205 0.000 0.824 568 E CB 0.139 29.581 29.700 -0.430 0.000 0.756 568 E HN 0.535 nan 8.360 nan 0.000 0.477 569 N N 1.186 119.811 118.700 -0.125 0.000 2.443 569 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 569 N C 0.802 176.313 175.510 0.003 0.000 1.037 569 N CA 0.647 53.684 53.050 -0.021 0.000 0.896 569 N CB 0.119 38.581 38.487 -0.043 0.000 0.959 569 N HN 0.279 nan 8.380 nan 0.000 0.442 570 E N 0.200 120.370 120.200 -0.049 0.000 2.499 570 E HA 0.110 4.460 4.350 -0.000 0.000 0.199 570 E C -0.281 176.373 176.600 0.090 0.000 1.016 570 E CA -0.136 56.279 56.400 0.026 0.000 0.933 570 E CB 0.541 30.254 29.700 0.022 0.000 1.050 570 E HN 0.001 nan 8.360 nan 0.000 0.462 571 S N 0.625 116.370 115.700 0.075 0.000 2.565 571 S HA 0.209 4.679 4.470 -0.000 0.000 0.274 571 S C 1.447 176.056 174.600 0.014 0.000 1.309 571 S CA -0.409 57.838 58.200 0.078 0.000 1.043 571 S CB 0.696 63.953 63.200 0.095 0.000 0.939 571 S HN 0.198 nan 8.310 nan 0.000 0.504 572 L N 3.967 125.136 121.223 -0.089 0.000 2.083 572 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 572 L C 1.406 178.184 176.870 -0.153 0.000 1.083 572 L CA 1.185 55.850 54.840 -0.292 0.000 0.752 572 L CB -0.343 41.275 42.059 -0.735 0.000 0.899 572 L HN 0.667 nan 8.230 nan 0.000 0.433 573 L N -0.224 120.987 121.223 -0.019 0.000 2.718 573 L HA -0.035 4.305 4.340 -0.000 0.000 0.242 573 L C 1.882 178.850 176.870 0.163 0.000 1.203 573 L CA -0.389 54.526 54.840 0.126 0.000 1.011 573 L CB -0.340 41.816 42.059 0.162 0.000 1.250 573 L HN 0.230 nan 8.230 nan 0.000 0.437 574 L N -0.018 121.290 121.223 0.142 0.000 2.027 574 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 574 L C 2.574 179.559 176.870 0.192 0.000 1.074 574 L CA 1.811 56.764 54.840 0.188 0.000 0.745 574 L CB -0.304 41.857 42.059 0.170 0.000 0.898 574 L HN 0.193 nan 8.230 nan 0.000 0.433 575 E N 0.279 120.569 120.200 0.150 0.000 2.033 575 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 575 E C 1.911 178.579 176.600 0.114 0.000 1.011 575 E CA 1.691 58.164 56.400 0.122 0.000 0.815 575 E CB -0.530 29.230 29.700 0.101 0.000 0.755 575 E HN 0.572 nan 8.360 nan 0.000 0.451 576 D N 0.846 121.318 120.400 0.119 0.000 2.126 576 D HA -0.173 4.467 4.640 -0.000 0.000 0.190 576 D C 1.612 177.961 176.300 0.082 0.000 1.001 576 D CA 0.918 54.969 54.000 0.086 0.000 0.841 576 D CB -0.657 40.208 40.800 0.109 0.000 0.949 576 D HN 0.131 nan 8.370 nan 0.000 0.446 577 N N 0.401 119.214 118.700 0.188 0.000 2.192 577 N HA -0.121 4.618 4.740 -0.000 0.000 0.188 577 N C 1.789 177.467 175.510 0.281 0.000 1.013 577 N CA 0.572 53.815 53.050 0.321 0.000 0.863 577 N CB -0.044 38.692 38.487 0.415 0.000 0.990 577 N HN 0.261 nan 8.380 nan 0.000 0.430 578 I N 1.099 121.790 120.570 0.201 0.000 2.233 578 I HA -0.128 4.041 4.170 -0.000 0.000 0.243 578 I C 2.184 178.346 176.117 0.076 0.000 1.093 578 I CA 0.811 62.217 61.300 0.176 0.000 1.380 578 I CB -0.868 37.212 38.000 0.134 0.000 1.067 578 I HN 0.062 nan 8.210 nan 0.000 0.413 579 R N 0.604 121.119 120.500 0.025 0.000 2.096 579 R HA -0.132 4.208 4.340 -0.000 0.000 0.240 579 R C 2.187 178.417 176.300 -0.117 0.000 1.139 579 R CA 1.423 57.504 56.100 -0.033 0.000 0.952 579 R CB -0.696 29.587 30.300 -0.029 0.000 0.854 579 R HN 0.421 nan 8.270 nan 0.000 0.436 580 M N -0.731 118.720 119.600 -0.248 0.000 2.077 580 M HA -0.080 4.400 4.480 -0.000 0.000 0.261 580 M C 1.694 177.637 176.300 -0.596 0.000 1.070 580 M CA 1.804 56.764 55.300 -0.568 0.000 1.125 580 M CB -0.171 31.769 32.600 -1.100 0.000 1.339 580 M HN 0.014 nan 8.290 nan 0.000 0.409 581 F N -0.626 119.308 119.950 -0.026 0.000 2.656 581 F HA 0.095 4.621 4.527 -0.000 0.000 0.291 581 F C 1.461 177.248 175.800 -0.022 0.000 1.122 581 F CA -0.255 57.718 58.000 -0.043 0.000 1.427 581 F CB -0.847 38.087 39.000 -0.109 0.000 1.125 581 F HN 0.012 nan 8.300 nan 0.000 0.583 582 T N -1.801 112.833 114.554 0.134 0.000 2.913 582 T HA 0.147 4.497 4.350 -0.000 0.000 0.297 582 T C 0.920 175.651 174.700 0.051 0.000 1.029 582 T CA -0.371 61.789 62.100 0.099 0.000 1.104 582 T CB 1.394 70.323 68.868 0.101 0.000 0.964 582 T HN 0.025 nan 8.240 nan 0.000 0.532 583 T N 1.095 115.678 114.554 0.048 0.000 3.219 583 T HA 0.482 4.832 4.350 -0.000 0.000 0.249 583 T C 0.493 175.203 174.700 0.017 0.000 1.099 583 T CA 0.163 62.280 62.100 0.029 0.000 0.988 583 T CB -0.390 68.497 68.868 0.032 0.000 0.999 583 T HN 1.038 nan 8.240 nan 0.000 0.550 584 A N 1.398 124.227 122.820 0.015 0.000 2.330 584 A HA 0.518 4.838 4.320 -0.000 0.000 0.303 584 A C -2.760 174.820 177.584 -0.007 0.000 1.150 584 A CA -0.938 51.100 52.037 0.002 0.000 0.921 584 A CB 0.732 19.733 19.000 0.001 0.000 1.462 584 A HN -0.020 nan 8.150 nan 0.000 0.388 585 P HA -0.044 nan 4.420 nan 0.000 0.213 585 P C 1.396 178.670 177.300 -0.043 0.000 1.176 585 P CA 1.467 64.552 63.100 -0.025 0.000 0.894 585 P CB 0.028 31.719 31.700 -0.016 0.000 0.771 586 D N 0.555 120.936 120.400 -0.031 0.000 2.248 586 D HA -0.309 4.331 4.640 -0.000 0.000 0.191 586 D C 1.798 178.069 176.300 -0.049 0.000 1.013 586 D CA 1.576 55.556 54.000 -0.035 0.000 0.883 586 D CB -1.019 39.767 40.800 -0.023 0.000 0.915 586 D HN 0.273 nan 8.370 nan 0.000 0.448 587 Q N 0.260 120.033 119.800 -0.046 0.000 2.437 587 Q HA -0.000 4.340 4.340 -0.000 0.000 0.210 587 Q C 0.254 176.198 176.000 -0.093 0.000 0.972 587 Q CA 0.048 55.820 55.803 -0.052 0.000 0.903 587 Q CB 0.276 28.995 28.738 -0.031 0.000 0.967 587 Q HN 0.135 nan 8.270 nan 0.000 0.486 588 V N 2.906 122.737 119.914 -0.138 0.000 2.390 588 V HA -0.041 4.079 4.120 -0.000 0.000 0.260 588 V C -0.086 175.803 176.094 -0.341 0.000 1.043 588 V CA 0.034 62.162 62.300 -0.287 0.000 1.047 588 V CB 0.545 32.158 31.823 -0.350 0.000 1.066 588 V HN 0.186 nan 8.190 nan 0.000 0.481 589 D N 5.445 125.659 120.400 -0.310 0.000 2.344 589 D HA 0.073 4.713 4.640 -0.000 0.000 0.253 589 D C 1.186 177.274 176.300 -0.354 0.000 1.255 589 D CA -0.103 53.761 54.000 -0.227 0.000 0.894 589 D CB 0.834 41.565 40.800 -0.115 0.000 1.067 589 D HN 0.461 nan 8.370 nan 0.000 0.492 590 K N 2.229 122.455 120.400 -0.290 0.000 2.574 590 K HA -0.104 4.215 4.320 -0.000 0.000 0.193 590 K C 1.085 177.702 176.600 0.028 0.000 1.035 590 K CA 0.771 56.931 56.287 -0.210 0.000 0.982 590 K CB 0.284 32.738 32.500 -0.076 0.000 0.795 590 K HN 0.534 nan 8.250 nan 0.000 0.491 591 E N 1.524 121.734 120.200 0.018 0.000 2.758 591 E HA 0.012 4.362 4.350 -0.000 0.000 0.215 591 E C -0.556 176.093 176.600 0.081 0.000 0.985 591 E CA -0.300 56.143 56.400 0.071 0.000 1.102 591 E CB 0.092 29.819 29.700 0.044 0.000 1.042 591 E HN 0.209 nan 8.360 nan 0.000 0.480 592 D N 0.737 121.196 120.400 0.098 0.000 2.389 592 D HA 0.066 4.706 4.640 -0.000 0.000 0.247 592 D C 1.216 177.589 176.300 0.122 0.000 1.128 592 D CA -0.147 53.913 54.000 0.099 0.000 0.884 592 D CB 1.125 41.988 40.800 0.105 0.000 1.194 592 D HN 0.070 nan 8.370 nan 0.000 0.441 593 E N 2.639 122.884 120.200 0.075 0.000 2.033 593 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 593 E C 1.316 177.940 176.600 0.039 0.000 1.011 593 E CA 1.326 57.757 56.400 0.052 0.000 0.815 593 E CB -0.235 29.488 29.700 0.038 0.000 0.755 593 E HN 0.605 nan 8.360 nan 0.000 0.451 594 D N 0.045 120.472 120.400 0.045 0.000 2.149 594 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 594 D C 1.748 178.062 176.300 0.023 0.000 0.990 594 D CA 0.571 54.581 54.000 0.018 0.000 0.839 594 D CB -0.484 40.333 40.800 0.030 0.000 0.948 594 D HN 0.121 nan 8.370 nan 0.000 0.460 595 F N 2.000 121.928 119.950 -0.037 0.000 2.075 595 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 595 F C 2.340 178.112 175.800 -0.047 0.000 1.113 595 F CA 1.554 59.535 58.000 -0.032 0.000 1.218 595 F CB -0.405 38.589 39.000 -0.010 0.000 0.984 595 F HN -0.030 nan 8.300 nan 0.000 0.472 596 Q N -0.525 119.239 119.800 -0.060 0.000 2.291 596 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 596 Q C 1.771 177.627 176.000 -0.239 0.000 0.976 596 Q CA 1.333 57.030 55.803 -0.177 0.000 0.875 596 Q CB -0.642 28.076 28.738 -0.033 0.000 0.927 596 Q HN 0.481 nan 8.270 nan 0.000 0.450 597 E N 1.660 121.733 120.200 -0.211 0.000 2.028 597 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 597 E C 2.276 178.617 176.600 -0.431 0.000 0.984 597 E CA 1.469 57.712 56.400 -0.261 0.000 0.800 597 E CB -0.098 29.474 29.700 -0.213 0.000 0.758 597 E HN 0.479 nan 8.360 nan 0.000 0.448 598 S N 1.165 116.605 115.700 -0.434 0.000 2.462 598 S HA -0.134 4.336 4.470 -0.000 0.000 0.243 598 S C 1.079 175.465 174.600 -0.356 0.000 1.003 598 S CA 1.088 59.017 58.200 -0.452 0.000 0.970 598 S CB -0.240 62.768 63.200 -0.320 0.000 0.762 598 S HN 0.160 nan 8.310 nan 0.000 0.510 599 N N 0.491 118.966 118.700 -0.375 0.000 2.235 599 N HA 0.156 4.895 4.740 -0.000 0.000 0.231 599 N C -0.783 174.512 175.510 -0.359 0.000 1.177 599 N CA -0.141 52.728 53.050 -0.302 0.000 0.874 599 N CB 0.506 38.819 38.487 -0.288 0.000 1.097 599 N HN 0.372 nan 8.380 nan 0.000 0.518 600 K N 1.589 121.802 120.400 -0.311 0.000 2.231 600 K HA 0.264 4.584 4.320 -0.000 0.000 0.255 600 K C -0.007 176.378 176.600 -0.358 0.000 1.108 600 K CA -0.360 55.709 56.287 -0.364 0.000 0.997 600 K CB 0.481 32.785 32.500 -0.327 0.000 1.549 600 K HN -0.107 nan 8.250 nan 0.000 0.419 601 M N 2.988 122.320 119.600 -0.448 0.000 2.869 601 M HA 0.054 4.534 4.480 -0.000 0.000 0.299 601 M C -0.186 175.878 176.300 -0.393 0.000 1.508 601 M CA -0.320 54.666 55.300 -0.522 0.000 1.551 601 M CB -1.437 30.480 32.600 -1.138 0.000 1.384 601 M HN 0.243 nan 8.290 nan 0.000 0.491 602 H N 0.994 119.920 119.070 -0.240 0.000 3.145 602 H HA 0.288 4.844 4.556 -0.000 0.000 0.263 602 H C 0.359 175.562 175.328 -0.207 0.000 1.057 602 H CA 0.179 56.066 56.048 -0.268 0.000 1.477 602 H CB 0.303 29.864 29.762 -0.334 0.000 1.529 602 H HN 0.684 nan 8.280 nan 0.000 0.508 603 S N 2.949 118.636 115.700 -0.021 0.000 2.638 603 S HA 0.541 5.011 4.470 -0.000 0.000 0.274 603 S C -0.723 173.926 174.600 0.083 0.000 1.157 603 S CA -1.211 57.047 58.200 0.096 0.000 0.826 603 S CB 2.030 65.409 63.200 0.298 0.000 1.139 603 S HN 0.457 nan 8.310 nan 0.000 0.474 604 M N 2.012 121.717 119.600 0.177 0.000 2.253 604 M HA 0.461 4.941 4.480 -0.000 0.000 0.314 604 M C -0.442 176.060 176.300 0.336 0.000 1.019 604 M CA -0.115 55.276 55.300 0.152 0.000 0.932 604 M CB 0.940 33.585 32.600 0.075 0.000 1.606 604 M HN 0.917 nan 8.290 nan 0.000 0.430 605 N N 2.366 121.273 118.700 0.346 0.000 2.690 605 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 605 N C 0.472 176.086 175.510 0.173 0.000 1.125 605 N CA 1.905 55.158 53.050 0.339 0.000 0.794 605 N CB -0.943 37.767 38.487 0.371 0.000 1.152 605 N HN 1.133 nan 8.380 nan 0.000 0.571 606 G N -3.276 105.657 108.800 0.223 0.000 2.316 606 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.203 606 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.203 606 G C 0.094 175.178 174.900 0.307 0.000 0.999 606 G CA -0.002 45.049 45.100 -0.082 0.000 0.649 606 G HN 0.270 nan 8.290 nan 0.000 0.489 607 F N 0.890 121.161 119.950 0.534 0.000 2.411 607 F HA 0.897 5.424 4.527 -0.000 0.000 0.324 607 F C 0.875 176.902 175.800 0.378 0.000 1.086 607 F CA -0.560 57.731 58.000 0.486 0.000 1.028 607 F CB 1.178 40.388 39.000 0.349 0.000 1.284 607 F HN 0.018 nan 8.300 nan 0.000 0.501 608 M N -0.703 119.250 119.600 0.588 0.000 2.716 608 M HA 0.311 4.791 4.480 -0.000 0.000 0.278 608 M C -1.240 175.265 176.300 0.341 0.000 1.281 608 M CA -0.826 54.702 55.300 0.380 0.000 0.814 608 M CB 1.701 34.615 32.600 0.524 0.000 1.719 608 M HN 0.520 nan 8.290 nan 0.000 0.457 609 Y N 0.979 121.313 120.300 0.057 0.000 3.086 609 Y HA -0.223 4.327 4.550 -0.000 0.000 0.214 609 Y C 1.139 177.148 175.900 0.181 0.000 1.174 609 Y CA 1.628 59.735 58.100 0.012 0.000 1.167 609 Y CB -2.109 36.303 38.460 -0.080 0.000 1.285 609 Y HN 1.072 nan 8.280 nan 0.000 0.562 610 G N -1.428 107.573 108.800 0.335 0.000 2.217 610 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.246 610 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.246 610 G C 0.802 175.786 174.900 0.140 0.000 0.990 610 G CA 0.387 45.696 45.100 0.349 0.000 0.627 610 G HN 0.503 nan 8.290 nan 0.000 0.522 611 N N 0.586 119.380 118.700 0.158 0.000 2.573 611 N HA 0.083 4.823 4.740 -0.000 0.000 0.187 611 N C 1.057 176.448 175.510 -0.198 0.000 1.107 611 N CA 1.048 54.136 53.050 0.063 0.000 0.918 611 N CB 0.073 38.684 38.487 0.206 0.000 0.966 611 N HN 0.759 nan 8.380 nan 0.000 0.448 612 Q N 1.497 121.178 119.800 -0.198 0.000 2.296 612 Q HA 0.176 4.515 4.340 -0.000 0.000 0.262 612 Q C -2.489 173.320 176.000 -0.318 0.000 0.981 612 Q CA -1.499 53.969 55.803 -0.557 0.000 0.905 612 Q CB 0.944 29.618 28.738 -0.108 0.000 1.186 612 Q HN 0.111 nan 8.270 nan 0.000 0.399 613 P HA 0.402 nan 4.420 nan 0.000 0.290 613 P C -0.323 176.995 177.300 0.031 0.000 1.307 613 P CA 0.072 63.096 63.100 -0.126 0.000 0.948 613 P CB 1.811 33.430 31.700 -0.135 0.000 1.312 614 G N -0.208 108.641 108.800 0.082 0.000 2.175 614 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 614 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 614 G C 0.008 175.039 174.900 0.218 0.000 0.982 614 G CA -0.066 45.148 45.100 0.190 0.000 0.641 614 G HN 0.453 nan 8.290 nan 0.000 0.527 615 L N 2.747 124.011 121.223 0.068 0.000 2.598 615 L HA 0.414 4.754 4.340 -0.000 0.000 0.241 615 L C 0.886 177.754 176.870 -0.003 0.000 1.244 615 L CA 0.340 55.069 54.840 -0.183 0.000 1.198 615 L CB 0.049 42.019 42.059 -0.150 0.000 1.448 615 L HN 0.399 nan 8.230 nan 0.000 0.406 616 T N -1.081 113.568 114.554 0.157 0.000 2.908 616 T HA 0.859 5.208 4.350 -0.000 0.000 0.290 616 T C -0.316 174.506 174.700 0.204 0.000 1.034 616 T CA -0.778 61.404 62.100 0.137 0.000 1.010 616 T CB 2.694 71.613 68.868 0.085 0.000 1.068 616 T HN 0.317 nan 8.240 nan 0.000 0.481 617 M N -0.111 119.575 119.600 0.144 0.000 3.008 617 M HA 0.651 5.131 4.480 -0.000 0.000 0.271 617 M C -1.655 174.698 176.300 0.088 0.000 1.265 617 M CA -1.010 54.364 55.300 0.124 0.000 0.817 617 M CB 1.272 33.974 32.600 0.169 0.000 1.638 617 M HN 0.616 nan 8.290 nan 0.000 0.479 618 c N 1.988 120.632 118.600 0.073 0.000 2.341 618 c HA 0.503 5.073 4.570 -0.000 0.000 0.338 618 c C 0.254 174.400 174.090 0.093 0.000 1.257 618 c CA -0.514 55.856 56.329 0.068 0.000 1.883 618 c CB 1.383 43.923 42.510 0.049 0.000 2.334 618 c HN 0.853 nan 8.230 nan 0.000 0.524 619 K N 1.865 122.323 120.400 0.097 0.000 2.447 619 K HA 0.359 4.679 4.320 -0.000 0.000 0.281 619 K C 1.129 177.798 176.600 0.115 0.000 1.031 619 K CA 1.296 57.654 56.287 0.118 0.000 1.019 619 K CB -0.113 32.451 32.500 0.106 0.000 0.918 619 K HN 1.121 nan 8.250 nan 0.000 0.476 620 G N 3.142 112.031 108.800 0.148 0.000 2.232 620 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 620 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 620 G C -0.239 174.778 174.900 0.194 0.000 0.996 620 G CA 0.018 45.213 45.100 0.158 0.000 0.626 620 G HN 0.717 nan 8.290 nan 0.000 0.509 621 D N 0.752 121.242 120.400 0.150 0.000 2.400 621 D HA 0.424 5.064 4.640 -0.000 0.000 0.238 621 D C 0.603 176.976 176.300 0.121 0.000 1.157 621 D CA 0.968 55.033 54.000 0.108 0.000 0.889 621 D CB 1.348 42.177 40.800 0.049 0.000 1.199 621 D HN 0.208 nan 8.370 nan 0.000 0.436 622 S N 1.338 117.063 115.700 0.042 0.000 2.415 622 S HA 0.368 4.838 4.470 -0.000 0.000 0.313 622 S C -0.574 173.847 174.600 -0.298 0.000 1.067 622 S CA -0.810 57.307 58.200 -0.140 0.000 1.099 622 S CB -0.116 63.118 63.200 0.057 0.000 0.991 622 S HN 0.163 nan 8.310 nan 0.000 0.491 623 V N 5.324 125.002 119.914 -0.393 0.000 2.617 623 V HA 0.575 4.695 4.120 -0.000 0.000 0.298 623 V C -0.134 175.512 176.094 -0.747 0.000 1.048 623 V CA -0.636 61.365 62.300 -0.498 0.000 0.964 623 V CB 1.797 33.412 31.823 -0.346 0.000 1.004 623 V HN 0.642 nan 8.190 nan 0.000 0.466 624 V N 3.156 122.546 119.914 -0.874 0.000 2.525 624 V HA 0.426 4.546 4.120 -0.000 0.000 0.299 624 V C -1.239 174.294 176.094 -0.935 0.000 1.034 624 V CA -0.645 61.100 62.300 -0.925 0.000 0.863 624 V CB 1.734 32.984 31.823 -0.953 0.000 0.999 624 V HN 0.916 nan 8.190 nan 0.000 0.423 625 W N 4.376 125.273 121.300 -0.672 0.000 2.433 625 W HA 0.643 5.302 4.660 -0.000 0.000 0.315 625 W C -0.824 175.362 176.519 -0.554 0.000 1.087 625 W CA -0.510 56.524 57.345 -0.519 0.000 1.205 625 W CB 1.132 30.346 29.460 -0.409 0.000 1.288 625 W HN 0.455 nan 8.180 nan 0.000 0.504 626 Y N 4.137 124.470 120.300 0.055 0.000 2.388 626 Y HA 0.456 5.006 4.550 -0.000 0.000 0.328 626 Y C 0.067 176.010 175.900 0.072 0.000 0.963 626 Y CA -1.064 57.080 58.100 0.073 0.000 1.240 626 Y CB 0.480 39.009 38.460 0.115 0.000 1.118 626 Y HN 0.050 nan 8.280 nan 0.000 0.484 627 L N 5.270 126.578 121.223 0.143 0.000 2.331 627 L HA 0.682 5.022 4.340 -0.000 0.000 0.275 627 L C -0.708 176.190 176.870 0.045 0.000 1.022 627 L CA -1.006 53.807 54.840 -0.044 0.000 0.812 627 L CB 1.598 43.577 42.059 -0.133 0.000 1.257 627 L HN 0.539 nan 8.230 nan 0.000 0.435 628 F N -0.243 119.728 119.950 0.034 0.000 2.741 628 F HA 0.778 5.305 4.527 -0.000 0.000 0.311 628 F C -0.673 175.078 175.800 -0.082 0.000 1.149 628 F CA -1.007 56.993 58.000 0.000 0.000 0.930 628 F CB 1.508 40.552 39.000 0.073 0.000 1.312 628 F HN 0.422 nan 8.300 nan 0.000 0.450 629 S N 0.615 116.439 115.700 0.207 0.000 2.656 629 S HA 0.975 5.444 4.470 -0.000 0.000 0.273 629 S C -1.701 172.845 174.600 -0.090 0.000 1.168 629 S CA 0.042 58.160 58.200 -0.135 0.000 0.817 629 S CB 1.507 64.544 63.200 -0.272 0.000 1.146 629 S HN 2.174 nan 8.310 nan 0.000 0.475 630 A N 0.145 122.827 122.820 -0.230 0.000 2.601 630 A HA 0.950 5.270 4.320 -0.000 0.000 0.291 630 A C 0.102 177.517 177.584 -0.282 0.000 1.075 630 A CA 0.046 51.941 52.037 -0.237 0.000 0.671 630 A CB 0.463 19.319 19.000 -0.240 0.000 1.277 630 A HN 2.444 nan 8.150 nan 0.000 0.417 631 G N -0.001 108.628 108.800 -0.286 0.000 2.302 631 G HA2 0.419 4.379 3.960 -0.000 0.000 0.276 631 G HA3 0.419 4.379 3.960 -0.000 0.000 0.276 631 G C -0.490 174.352 174.900 -0.096 0.000 1.316 631 G CA 0.159 45.161 45.100 -0.163 0.000 0.988 631 G HN 1.867 nan 8.290 nan 0.000 0.479 632 N N -0.428 118.274 118.700 0.004 0.000 2.547 632 N HA 0.429 5.168 4.740 -0.000 0.000 0.301 632 N C 1.267 176.697 175.510 -0.133 0.000 1.328 632 N CA 0.338 53.341 53.050 -0.077 0.000 0.932 632 N CB 0.303 38.780 38.487 -0.017 0.000 1.104 632 N HN 0.727 nan 8.380 nan 0.000 0.548 633 E N -1.107 119.004 120.200 -0.148 0.000 2.516 633 E HA -0.048 4.302 4.350 -0.000 0.000 0.199 633 E C 0.689 177.256 176.600 -0.054 0.000 1.069 633 E CA 0.535 56.855 56.400 -0.133 0.000 0.876 633 E CB -0.225 29.409 29.700 -0.110 0.000 0.843 633 E HN 0.603 nan 8.360 nan 0.000 0.530 634 A N 1.067 123.869 122.820 -0.031 0.000 2.275 634 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 634 A C 0.630 178.214 177.584 -0.000 0.000 1.201 634 A CA -0.136 51.916 52.037 0.025 0.000 0.843 634 A CB 0.125 19.162 19.000 0.062 0.000 0.873 634 A HN 0.018 nan 8.150 nan 0.000 0.492 635 D N 1.644 121.977 120.400 -0.112 0.000 2.741 635 D HA 0.231 4.871 4.640 -0.000 0.000 0.233 635 D C -0.317 175.687 176.300 -0.495 0.000 1.160 635 D CA 0.320 54.119 54.000 -0.334 0.000 1.003 635 D CB 0.700 41.417 40.800 -0.138 0.000 1.064 635 D HN 0.249 nan 8.370 nan 0.000 0.503 636 V N -0.137 119.466 119.914 -0.519 0.000 2.284 636 V HA 0.380 4.499 4.120 -0.000 0.000 0.274 636 V C -0.323 175.375 176.094 -0.659 0.000 1.023 636 V CA -0.645 61.417 62.300 -0.398 0.000 0.808 636 V CB 0.964 32.743 31.823 -0.073 0.000 1.035 636 V HN 0.213 nan 8.190 nan 0.000 0.445 637 H N 3.456 122.269 119.070 -0.429 0.000 2.616 637 H HA 0.771 5.327 4.556 -0.000 0.000 0.353 637 H C 0.119 175.192 175.328 -0.426 0.000 1.170 637 H CA -0.491 55.336 56.048 -0.369 0.000 1.212 637 H CB 2.651 32.258 29.762 -0.259 0.000 1.653 637 H HN 0.798 nan 8.280 nan 0.000 0.537 638 G N 2.260 110.951 108.800 -0.180 0.000 3.114 638 G HA2 0.317 4.277 3.960 -0.000 0.000 0.320 638 G HA3 0.317 4.277 3.960 -0.000 0.000 0.320 638 G C -0.383 174.414 174.900 -0.172 0.000 1.453 638 G CA -0.417 44.558 45.100 -0.207 0.000 1.084 638 G HN 0.356 nan 8.290 nan 0.000 0.516 639 I N 2.999 123.431 120.570 -0.229 0.000 2.421 639 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 639 I C -0.432 175.517 176.117 -0.280 0.000 1.089 639 I CA -1.007 60.092 61.300 -0.336 0.000 1.354 639 I CB 0.154 37.857 38.000 -0.494 0.000 1.413 639 I HN 0.401 nan 8.210 nan 0.000 0.513 640 Y N 8.258 128.325 120.300 -0.388 0.000 2.353 640 Y HA 0.415 4.965 4.550 -0.000 0.000 0.340 640 Y C -1.003 174.673 175.900 -0.372 0.000 0.972 640 Y CA -1.821 56.138 58.100 -0.234 0.000 1.157 640 Y CB 0.843 39.241 38.460 -0.105 0.000 1.157 640 Y HN 0.295 nan 8.280 nan 0.000 0.495 641 F N 4.748 124.632 119.950 -0.110 0.000 2.351 641 F HA 0.228 4.755 4.527 -0.000 0.000 0.362 641 F C 0.943 176.524 175.800 -0.364 0.000 1.131 641 F CA -0.294 57.490 58.000 -0.360 0.000 1.187 641 F CB 0.460 39.223 39.000 -0.396 0.000 1.434 641 F HN 0.484 nan 8.300 nan 0.000 0.553 642 S N 2.266 117.633 115.700 -0.555 0.000 2.563 642 S HA 0.388 4.858 4.470 -0.000 0.000 0.284 642 S C 1.396 175.891 174.600 -0.174 0.000 1.331 642 S CA 0.641 58.503 58.200 -0.564 0.000 1.047 642 S CB 0.588 63.496 63.200 -0.486 0.000 0.859 642 S HN 1.180 nan 8.310 nan 0.000 0.514 643 G N 4.203 112.891 108.800 -0.186 0.000 2.396 643 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 643 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 643 G C 0.237 174.872 174.900 -0.442 0.000 1.069 643 G CA 0.401 45.232 45.100 -0.447 0.000 0.633 643 G HN 0.770 nan 8.290 nan 0.000 0.517 644 N N -0.061 118.491 118.700 -0.246 0.000 2.577 644 N HA 0.665 5.404 4.740 -0.000 0.000 0.285 644 N C -0.750 174.749 175.510 -0.018 0.000 1.309 644 N CA 0.375 53.355 53.050 -0.117 0.000 0.798 644 N CB 2.041 40.509 38.487 -0.032 0.000 1.463 644 N HN 0.543 nan 8.380 nan 0.000 0.518 645 T N -1.516 113.048 114.554 0.017 0.000 2.921 645 T HA 0.530 4.880 4.350 -0.000 0.000 0.297 645 T C -0.582 174.192 174.700 0.124 0.000 1.013 645 T CA -0.713 61.413 62.100 0.044 0.000 0.990 645 T CB 0.687 69.543 68.868 -0.021 0.000 1.023 645 T HN 0.444 nan 8.240 nan 0.000 0.447 646 Y N 2.147 122.501 120.300 0.090 0.000 2.534 646 Y HA 0.836 5.386 4.550 -0.000 0.000 0.338 646 Y C -0.626 175.411 175.900 0.228 0.000 1.279 646 Y CA -2.177 55.989 58.100 0.109 0.000 1.436 646 Y CB 0.881 39.320 38.460 -0.035 0.000 1.573 646 Y HN 0.635 nan 8.280 nan 0.000 0.567 647 L N 1.413 122.919 121.223 0.472 0.000 2.485 647 L HA 0.209 4.549 4.340 -0.000 0.000 0.260 647 L C -1.862 175.290 176.870 0.470 0.000 0.998 647 L CA -0.245 54.815 54.840 0.367 0.000 0.883 647 L CB 0.972 43.252 42.059 0.369 0.000 1.196 647 L HN 0.822 nan 8.230 nan 0.000 0.443 648 W N 4.598 126.075 121.300 0.294 0.000 2.391 648 W HA 0.408 5.068 4.660 -0.000 0.000 0.311 648 W C 0.993 177.599 176.519 0.146 0.000 1.087 648 W CA -0.791 56.711 57.345 0.263 0.000 1.209 648 W CB 0.911 30.598 29.460 0.377 0.000 1.273 648 W HN 0.533 nan 8.180 nan 0.000 0.482 649 R N 4.417 124.439 120.500 -0.795 0.000 3.387 649 R HA -0.214 4.126 4.340 -0.000 0.000 0.254 649 R C 1.223 177.327 176.300 -0.326 0.000 1.006 649 R CA 1.675 57.279 56.100 -0.826 0.000 0.677 649 R CB -1.253 28.102 30.300 -1.576 0.000 1.063 649 R HN 1.439 nan 8.270 nan 0.000 0.453 650 G N -1.380 107.350 108.800 -0.116 0.000 2.179 650 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.260 650 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.260 650 G C -0.268 174.639 174.900 0.012 0.000 0.977 650 G CA 0.536 45.622 45.100 -0.023 0.000 0.641 650 G HN 0.535 nan 8.290 nan 0.000 0.533 651 E N -0.266 119.960 120.200 0.043 0.000 2.176 651 E HA 0.505 4.855 4.350 -0.000 0.000 0.267 651 E C 0.040 176.700 176.600 0.100 0.000 0.893 651 E CA -1.027 55.426 56.400 0.089 0.000 0.761 651 E CB 1.702 31.491 29.700 0.147 0.000 1.133 651 E HN 0.276 nan 8.360 nan 0.000 0.409 652 R N 1.796 122.341 120.500 0.074 0.000 2.347 652 R HA 0.483 4.823 4.340 -0.000 0.000 0.304 652 R C -0.369 175.969 176.300 0.063 0.000 1.072 652 R CA 0.291 56.443 56.100 0.088 0.000 0.980 652 R CB 0.340 30.736 30.300 0.160 0.000 0.986 652 R HN 0.628 nan 8.270 nan 0.000 0.448 653 R N 2.437 122.882 120.500 -0.091 0.000 2.692 653 R HA 0.195 4.535 4.340 -0.000 0.000 0.269 653 R C -1.033 175.059 176.300 -0.346 0.000 1.030 653 R CA -0.170 55.870 56.100 -0.100 0.000 0.882 653 R CB 0.725 30.933 30.300 -0.153 0.000 1.250 653 R HN 0.877 nan 8.270 nan 0.000 0.465 654 D N -0.392 120.120 120.400 0.187 0.000 2.599 654 D HA 0.205 4.845 4.640 -0.000 0.000 0.249 654 D C -0.741 175.943 176.300 0.640 0.000 1.313 654 D CA 0.183 54.395 54.000 0.354 0.000 0.815 654 D CB 0.891 41.889 40.800 0.330 0.000 1.077 654 D HN 0.413 nan 8.370 nan 0.000 0.492 655 T N 0.379 115.260 114.554 0.545 0.000 3.293 655 T HA 0.632 4.982 4.350 -0.000 0.000 0.320 655 T C -0.718 174.124 174.700 0.235 0.000 0.995 655 T CA -0.574 61.728 62.100 0.338 0.000 1.041 655 T CB 1.477 70.412 68.868 0.113 0.000 1.058 655 T HN 0.285 nan 8.240 nan 0.000 0.453 656 A N 3.621 126.501 122.820 0.100 0.000 2.304 656 A HA 0.754 5.074 4.320 -0.000 0.000 0.301 656 A C 0.010 177.452 177.584 -0.236 0.000 1.132 656 A CA -0.720 51.265 52.037 -0.086 0.000 0.819 656 A CB 0.456 19.301 19.000 -0.258 0.000 1.094 656 A HN 0.710 nan 8.150 nan 0.000 0.492 657 N N 1.350 119.858 118.700 -0.320 0.000 2.408 657 N HA 0.561 5.301 4.740 -0.000 0.000 0.280 657 N C -1.356 173.703 175.510 -0.751 0.000 1.002 657 N CA -0.076 52.663 53.050 -0.518 0.000 0.907 657 N CB 1.520 39.742 38.487 -0.442 0.000 1.161 657 N HN 0.557 nan 8.380 nan 0.000 0.488 658 L N 2.644 123.313 121.223 -0.922 0.000 2.408 658 L HA 0.606 4.946 4.340 -0.000 0.000 0.268 658 L C -0.944 175.299 176.870 -1.046 0.000 0.986 658 L CA -0.673 53.694 54.840 -0.787 0.000 0.820 658 L CB 1.263 43.112 42.059 -0.349 0.000 1.303 658 L HN 0.360 nan 8.230 nan 0.000 0.411 659 F N 0.722 120.566 119.950 -0.177 0.000 2.814 659 F HA 0.564 5.091 4.527 -0.000 0.000 0.353 659 F C -2.295 173.386 175.800 -0.199 0.000 1.177 659 F CA -2.656 55.213 58.000 -0.218 0.000 1.036 659 F CB 0.230 39.101 39.000 -0.216 0.000 1.455 659 F HN 0.184 nan 8.300 nan 0.000 0.520 660 P HA 0.015 nan 4.420 nan 0.000 0.257 660 P C -0.417 176.788 177.300 -0.158 0.000 1.189 660 P CA 1.110 64.129 63.100 -0.134 0.000 0.780 660 P CB 0.217 31.800 31.700 -0.195 0.000 0.772 661 Q N 0.683 120.380 119.800 -0.172 0.000 2.493 661 Q HA -0.176 4.164 4.340 -0.000 0.000 0.260 661 Q C -0.833 175.077 176.000 -0.149 0.000 0.905 661 Q CA 0.799 56.481 55.803 -0.202 0.000 1.140 661 Q CB -1.830 26.722 28.738 -0.310 0.000 1.435 661 Q HN 0.416 nan 8.270 nan 0.000 0.581 662 T N 0.683 115.190 114.554 -0.079 0.000 2.910 662 T HA 0.547 4.896 4.350 -0.000 0.000 0.293 662 T C 0.035 174.730 174.700 -0.008 0.000 1.015 662 T CA 0.018 62.090 62.100 -0.047 0.000 1.094 662 T CB 1.550 70.391 68.868 -0.045 0.000 0.968 662 T HN 0.473 nan 8.240 nan 0.000 0.521 663 S N 2.137 117.844 115.700 0.012 0.000 2.547 663 S HA 0.774 5.244 4.470 -0.000 0.000 0.281 663 S C -1.087 173.554 174.600 0.068 0.000 1.118 663 S CA -1.005 57.250 58.200 0.093 0.000 0.947 663 S CB 0.805 64.066 63.200 0.103 0.000 1.053 663 S HN 0.589 nan 8.310 nan 0.000 0.482 664 L N 1.601 122.862 121.223 0.064 0.000 2.393 664 L HA 0.672 5.012 4.340 -0.000 0.000 0.260 664 L C -0.736 176.215 176.870 0.135 0.000 1.002 664 L CA -0.822 54.027 54.840 0.015 0.000 0.818 664 L CB 2.866 44.752 42.059 -0.289 0.000 1.369 664 L HN 0.750 nan 8.230 nan 0.000 0.412 665 T N 2.995 117.683 114.554 0.222 0.000 2.912 665 T HA 0.510 4.860 4.350 -0.000 0.000 0.326 665 T C -0.273 174.533 174.700 0.177 0.000 1.080 665 T CA -0.407 61.814 62.100 0.202 0.000 1.000 665 T CB 0.361 69.396 68.868 0.278 0.000 1.008 665 T HN 0.223 nan 8.240 nan 0.000 0.473 666 L N 2.975 124.198 121.223 -0.000 0.000 2.334 666 L HA 0.489 4.829 4.340 -0.000 0.000 0.277 666 L C 0.203 177.069 176.870 -0.007 0.000 1.075 666 L CA -0.858 53.982 54.840 0.001 0.000 0.804 666 L CB 0.875 42.697 42.059 -0.395 0.000 1.174 666 L HN 0.656 nan 8.230 nan 0.000 0.438 667 H N 3.716 122.801 119.070 0.024 0.000 2.539 667 H HA 0.542 5.097 4.556 -0.000 0.000 0.332 667 H C -0.885 174.295 175.328 -0.247 0.000 1.031 667 H CA -0.580 55.334 56.048 -0.223 0.000 1.206 667 H CB 1.643 31.239 29.762 -0.276 0.000 1.446 667 H HN 0.549 nan 8.280 nan 0.000 0.496 668 M N 5.103 124.655 119.600 -0.080 0.000 2.572 668 M HA 0.307 4.787 4.480 -0.000 0.000 0.299 668 M C -1.758 174.459 176.300 -0.139 0.000 1.205 668 M CA -0.596 54.725 55.300 0.035 0.000 0.876 668 M CB 2.076 34.771 32.600 0.157 0.000 1.728 668 M HN 0.709 nan 8.290 nan 0.000 0.458 669 W N 4.894 126.292 121.300 0.163 0.000 2.387 669 W HA 0.302 4.962 4.660 -0.000 0.000 0.285 669 W C -2.447 174.132 176.519 0.099 0.000 1.011 669 W CA -1.333 56.081 57.345 0.116 0.000 1.576 669 W CB 0.744 30.244 29.460 0.065 0.000 1.540 669 W HN 0.419 nan 8.180 nan 0.000 0.383 670 P HA -0.122 nan 4.420 nan 0.000 0.264 670 P C 0.380 177.793 177.300 0.187 0.000 1.173 670 P CA 1.082 64.314 63.100 0.220 0.000 0.761 670 P CB 1.194 33.043 31.700 0.247 0.000 0.794 671 D N -0.667 119.808 120.400 0.125 0.000 2.525 671 D HA 0.066 4.706 4.640 -0.000 0.000 0.231 671 D C -0.128 176.235 176.300 0.104 0.000 1.216 671 D CA -0.051 54.015 54.000 0.111 0.000 0.813 671 D CB 0.004 40.857 40.800 0.089 0.000 1.108 671 D HN 0.356 nan 8.370 nan 0.000 0.524 672 T N -0.693 113.934 114.554 0.121 0.000 2.886 672 T HA 0.317 4.667 4.350 -0.000 0.000 0.292 672 T C -1.034 173.859 174.700 0.323 0.000 1.012 672 T CA -0.668 61.544 62.100 0.187 0.000 0.982 672 T CB 1.962 70.929 68.868 0.165 0.000 1.018 672 T HN 0.070 nan 8.240 nan 0.000 0.451 673 E N 2.591 122.918 120.200 0.211 0.000 2.338 673 E HA 0.542 4.892 4.350 -0.000 0.000 0.272 673 E C 0.265 176.864 176.600 -0.002 0.000 1.029 673 E CA 0.183 56.656 56.400 0.123 0.000 0.872 673 E CB 0.412 30.142 29.700 0.051 0.000 1.015 673 E HN 1.082 nan 8.360 nan 0.000 0.417 674 G N 2.130 110.793 108.800 -0.229 0.000 2.356 674 G HA2 0.022 3.982 3.960 -0.000 0.000 0.288 674 G HA3 0.022 3.982 3.960 -0.000 0.000 0.288 674 G C -1.218 173.162 174.900 -0.866 0.000 1.302 674 G CA -0.692 44.026 45.100 -0.637 0.000 0.887 674 G HN 0.429 nan 8.290 nan 0.000 0.521 675 T N 1.257 115.244 114.554 -0.944 0.000 2.809 675 T HA 0.676 5.026 4.350 -0.000 0.000 0.296 675 T C -0.893 173.312 174.700 -0.826 0.000 1.015 675 T CA -0.001 61.670 62.100 -0.715 0.000 0.954 675 T CB 0.320 68.938 68.868 -0.416 0.000 0.950 675 T HN 0.387 nan 8.240 nan 0.000 0.450 676 F N 1.544 121.223 119.950 -0.452 0.000 2.572 676 F HA 0.503 5.030 4.527 -0.000 0.000 0.342 676 F C 0.900 176.649 175.800 -0.086 0.000 1.064 676 F CA -1.334 56.481 58.000 -0.308 0.000 1.008 676 F CB 1.222 40.008 39.000 -0.356 0.000 1.303 676 F HN 0.382 nan 8.300 nan 0.000 0.492 677 N N -0.149 118.727 118.700 0.293 0.000 2.430 677 N HA 0.564 5.304 4.740 -0.000 0.000 0.292 677 N C -1.712 173.896 175.510 0.163 0.000 1.051 677 N CA -0.783 52.426 53.050 0.266 0.000 0.917 677 N CB 2.107 40.751 38.487 0.262 0.000 1.164 677 N HN 0.219 nan 8.380 nan 0.000 0.484 678 V N 0.579 120.525 119.914 0.054 0.000 2.328 678 V HA 0.374 4.494 4.120 -0.000 0.000 0.278 678 V C -0.106 175.845 176.094 -0.239 0.000 1.021 678 V CA -0.634 61.435 62.300 -0.385 0.000 0.838 678 V CB 0.087 31.610 31.823 -0.499 0.000 0.999 678 V HN 0.788 nan 8.190 nan 0.000 0.447 679 E N 2.835 122.884 120.200 -0.251 0.000 2.410 679 E HA 0.623 4.972 4.350 -0.000 0.000 0.269 679 E C -1.273 175.259 176.600 -0.113 0.000 0.937 679 E CA -0.983 55.360 56.400 -0.095 0.000 0.793 679 E CB 2.116 31.866 29.700 0.083 0.000 1.314 679 E HN 0.520 nan 8.360 nan 0.000 0.447 680 C N 2.700 121.970 119.300 -0.050 0.000 2.239 680 C HA 0.357 4.816 4.460 -0.000 0.000 0.325 680 C C 1.572 176.546 174.990 -0.026 0.000 1.231 680 C CA -0.549 58.434 59.018 -0.058 0.000 1.652 680 C CB -1.373 26.361 27.740 -0.009 0.000 2.284 680 C HN 0.889 nan 8.230 nan 0.000 0.499 681 L N 4.748 125.916 121.223 -0.093 0.000 2.079 681 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 681 L C 1.476 178.215 176.870 -0.218 0.000 1.081 681 L CA 0.490 55.222 54.840 -0.180 0.000 0.752 681 L CB -0.216 41.715 42.059 -0.213 0.000 0.896 681 L HN 0.418 nan 8.230 nan 0.000 0.433 682 T N -2.441 111.979 114.554 -0.223 0.000 2.751 682 T HA -0.055 4.295 4.350 -0.000 0.000 0.279 682 T C 0.512 175.078 174.700 -0.222 0.000 0.941 682 T CA -0.579 61.345 62.100 -0.294 0.000 1.192 682 T CB 0.397 68.980 68.868 -0.475 0.000 0.883 682 T HN -0.179 nan 8.240 nan 0.000 0.534 683 T N 9.003 123.463 114.554 -0.157 0.000 2.110 683 T HA -0.465 nan 4.350 nan 0.000 0.184 683 T C 0.702 175.403 174.700 0.003 0.000 1.743 683 T CA 2.421 64.492 62.100 -0.050 0.000 1.046 683 T CB -0.163 68.717 68.868 0.019 0.000 0.835 683 T HN 0.473 8.597 8.240 -0.195 0.000 0.407 684 D N 0.035 120.432 120.400 -0.005 0.000 2.242 684 D HA -0.324 nan 4.640 nan 0.000 0.190 684 D C 1.737 177.957 176.300 -0.133 0.000 1.012 684 D CA 2.344 56.339 54.000 -0.008 0.000 0.875 684 D CB -0.273 40.565 40.800 0.064 0.000 0.922 684 D HN 0.433 8.956 8.370 -0.023 -0.167 0.448 685 H N -2.321 116.581 119.070 -0.281 0.000 2.353 685 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 685 H C 1.947 177.111 175.328 -0.273 0.000 1.090 685 H CA 1.182 57.022 56.048 -0.347 0.000 1.327 685 H CB -0.552 29.135 29.762 -0.125 0.000 1.383 685 H HN 0.304 nan 8.280 nan 0.000 0.508 686 Y N 2.469 122.682 120.300 -0.145 0.000 2.181 686 Y HA -0.242 4.307 4.550 -0.000 0.000 0.288 686 Y C 2.582 178.323 175.900 -0.265 0.000 1.146 686 Y CA 1.881 59.846 58.100 -0.224 0.000 1.164 686 Y CB -0.355 37.997 38.460 -0.179 0.000 0.982 686 Y HN 0.113 nan 8.280 nan 0.000 0.515 687 T N -1.677 112.830 114.554 -0.079 0.000 2.746 687 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 687 T C 2.069 176.654 174.700 -0.191 0.000 1.039 687 T CA 1.154 63.191 62.100 -0.104 0.000 1.142 687 T CB -1.176 67.713 68.868 0.036 0.000 0.866 687 T HN 0.474 nan 8.240 nan 0.000 0.444 688 G N 0.625 109.247 108.800 -0.296 0.000 2.708 688 G HA2 0.341 4.301 3.960 -0.000 0.000 0.210 688 G HA3 0.341 4.301 3.960 -0.000 0.000 0.210 688 G C 1.117 175.637 174.900 -0.634 0.000 1.141 688 G CA 0.319 45.142 45.100 -0.461 0.000 0.788 688 G HN 1.044 nan 8.290 nan 0.000 0.531 689 G N -0.703 107.544 108.800 -0.920 0.000 2.143 689 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.175 689 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.175 689 G C 0.565 174.985 174.900 -0.800 0.000 1.004 689 G CA 0.201 44.347 45.100 -1.590 0.000 0.671 689 G HN 0.422 nan 8.290 nan 0.000 0.512 690 M N 0.887 120.175 119.600 -0.521 0.000 3.435 690 M HA 0.366 4.846 4.480 -0.000 0.000 0.205 690 M C 0.125 176.261 176.300 -0.274 0.000 1.324 690 M CA 0.201 55.326 55.300 -0.291 0.000 1.455 690 M CB -0.439 32.063 32.600 -0.164 0.000 1.240 690 M HN 0.256 nan 8.290 nan 0.000 0.477 691 K N -0.236 119.933 120.400 -0.385 0.000 2.397 691 K HA 0.594 4.914 4.320 -0.000 0.000 0.253 691 K C -1.120 175.522 176.600 0.070 0.000 0.932 691 K CA -0.807 55.306 56.287 -0.291 0.000 0.795 691 K CB 1.619 33.652 32.500 -0.779 0.000 1.159 691 K HN 0.012 nan 8.250 nan 0.000 0.424 692 Q N 1.152 121.088 119.800 0.227 0.000 2.633 692 Q HA 0.554 4.894 4.340 -0.000 0.000 0.292 692 Q C -0.805 175.359 176.000 0.273 0.000 1.089 692 Q CA -1.038 54.932 55.803 0.277 0.000 0.811 692 Q CB 1.721 30.534 28.738 0.124 0.000 1.472 692 Q HN 0.505 nan 8.270 nan 0.000 0.464 693 K N 0.932 121.404 120.400 0.121 0.000 2.328 693 K HA 0.559 4.879 4.320 -0.000 0.000 0.246 693 K C -0.979 175.730 176.600 0.181 0.000 0.955 693 K CA -0.695 55.634 56.287 0.070 0.000 0.817 693 K CB 1.946 34.351 32.500 -0.158 0.000 1.208 693 K HN 0.620 nan 8.250 nan 0.000 0.432 694 Y N -2.462 117.845 120.300 0.011 0.000 2.492 694 Y HA 0.563 5.112 4.550 -0.000 0.000 0.346 694 Y C -0.730 175.204 175.900 0.057 0.000 0.997 694 Y CA -0.977 57.148 58.100 0.041 0.000 1.025 694 Y CB 1.468 40.013 38.460 0.142 0.000 1.263 694 Y HN 0.303 nan 8.280 nan 0.000 0.454 695 T N 3.897 118.413 114.554 -0.064 0.000 2.797 695 T HA 0.593 4.943 4.350 -0.000 0.000 0.279 695 T C -0.959 173.715 174.700 -0.044 0.000 0.991 695 T CA -0.643 61.370 62.100 -0.145 0.000 0.979 695 T CB 1.293 70.100 68.868 -0.102 0.000 0.943 695 T HN 0.583 nan 8.240 nan 0.000 0.444 696 V N 5.172 125.051 119.914 -0.059 0.000 2.384 696 V HA 0.434 4.553 4.120 -0.000 0.000 0.287 696 V C -0.020 176.084 176.094 0.017 0.000 1.020 696 V CA -1.059 61.278 62.300 0.062 0.000 0.850 696 V CB 1.274 33.216 31.823 0.198 0.000 0.987 696 V HN 0.767 nan 8.190 nan 0.000 0.436 697 N N 2.809 121.527 118.700 0.031 0.000 2.472 697 N HA 0.366 5.106 4.740 -0.000 0.000 0.289 697 N C -0.425 175.104 175.510 0.032 0.000 1.156 697 N CA -0.669 52.389 53.050 0.012 0.000 0.940 697 N CB 1.889 40.382 38.487 0.009 0.000 1.200 697 N HN 0.691 nan 8.380 nan 0.000 0.511 698 Q N 0.537 120.349 119.800 0.021 0.000 2.314 698 Q HA 0.249 4.589 4.340 -0.000 0.000 0.257 698 Q C -0.574 175.441 176.000 0.025 0.000 0.975 698 Q CA -0.065 55.756 55.803 0.029 0.000 0.933 698 Q CB 0.225 28.975 28.738 0.020 0.000 1.195 698 Q HN 0.606 nan 8.270 nan 0.000 0.426 699 c N 4.640 123.259 118.600 0.032 0.000 3.104 699 c HA 0.483 5.053 4.570 -0.000 0.000 0.284 699 c C 0.569 174.674 174.090 0.025 0.000 1.326 699 c CA -0.351 55.994 56.329 0.026 0.000 1.725 699 c CB -0.694 41.834 42.510 0.030 0.000 2.156 699 c HN 0.770 nan 8.230 nan 0.000 0.638 700 R N 0.027 120.543 120.500 0.027 0.000 3.080 700 R HA 0.568 4.908 4.340 -0.000 0.000 0.248 700 R C -0.743 175.570 176.300 0.021 0.000 1.324 700 R CA -0.790 55.324 56.100 0.024 0.000 1.036 700 R CB 1.061 31.378 30.300 0.028 0.000 1.360 700 R HN 0.040 nan 8.270 nan 0.000 0.479 701 R N 0.615 121.126 120.500 0.019 0.000 2.532 701 R HA 0.456 4.796 4.340 -0.000 0.000 0.297 701 R C -1.851 174.460 176.300 0.019 0.000 0.984 701 R CA -0.121 55.989 56.100 0.017 0.000 0.884 701 R CB 1.952 32.259 30.300 0.012 0.000 1.182 701 R HN 0.689 nan 8.270 nan 0.000 0.442 702 Q N 2.166 121.979 119.800 0.021 0.000 2.263 702 Q HA 0.506 4.846 4.340 -0.000 0.000 0.266 702 Q C -0.405 175.608 176.000 0.022 0.000 1.002 702 Q CA -0.228 55.589 55.803 0.022 0.000 0.790 702 Q CB 1.849 30.604 28.738 0.029 0.000 1.272 702 Q HN 0.931 nan 8.270 nan 0.000 0.435 703 S N 0.691 116.400 115.700 0.015 0.000 3.614 703 S HA -0.127 4.343 4.470 -0.000 0.000 0.757 703 S C -0.059 174.550 174.600 0.015 0.000 1.888 703 S CA 0.976 59.184 58.200 0.013 0.000 1.860 703 S CB -0.068 63.140 63.200 0.013 0.000 0.338 703 S HN 1.466 nan 8.310 nan 0.000 0.991 704 E N 0.912 121.119 120.200 0.012 0.000 2.199 704 E HA 0.417 4.767 4.350 -0.000 0.000 0.265 704 E C -1.233 175.379 176.600 0.020 0.000 0.882 704 E CA -0.952 55.458 56.400 0.016 0.000 0.759 704 E CB 1.105 30.810 29.700 0.010 0.000 1.148 704 E HN 0.595 nan 8.360 nan 0.000 0.412 705 D N 1.805 122.226 120.400 0.035 0.000 2.934 705 D HA 0.065 4.705 4.640 -0.000 0.000 0.237 705 D C -0.544 175.791 176.300 0.059 0.000 1.158 705 D CA -0.566 53.466 54.000 0.053 0.000 0.971 705 D CB 0.011 40.855 40.800 0.074 0.000 1.123 705 D HN 0.101 nan 8.370 nan 0.000 0.467 706 S N -0.146 115.579 115.700 0.041 0.000 2.143 706 S HA 0.237 4.707 4.470 -0.000 0.000 0.188 706 S C 0.565 175.182 174.600 0.030 0.000 1.431 706 S CA -0.608 57.618 58.200 0.045 0.000 1.253 706 S CB 0.336 63.553 63.200 0.028 0.000 1.137 706 S HN 0.538 nan 8.310 nan 0.000 0.457 707 T N -2.247 112.327 114.554 0.034 0.000 3.253 707 T HA 0.429 4.779 4.350 -0.000 0.000 0.299 707 T C -0.380 174.300 174.700 -0.032 0.000 0.927 707 T CA -0.156 61.931 62.100 -0.022 0.000 0.926 707 T CB 0.029 68.847 68.868 -0.083 0.000 1.183 707 T HN 0.196 nan 8.240 nan 0.000 0.557 708 F N 1.753 121.631 119.950 -0.120 0.000 3.692 708 F HA 0.481 5.008 4.527 -0.000 0.000 0.410 708 F C -2.295 173.209 175.800 -0.493 0.000 1.124 708 F CA -1.848 55.992 58.000 -0.267 0.000 1.474 708 F CB 0.638 39.301 39.000 -0.562 0.000 2.346 708 F HN 0.170 nan 8.300 nan 0.000 0.789 709 Y N 5.176 125.637 120.300 0.268 0.000 2.299 709 Y HA 0.190 4.740 4.550 -0.000 0.000 0.327 709 Y C 0.376 176.312 175.900 0.060 0.000 1.187 709 Y CA -1.393 56.725 58.100 0.031 0.000 1.378 709 Y CB 0.765 39.209 38.460 -0.027 0.000 1.205 709 Y HN 0.284 nan 8.280 nan 0.000 0.441 710 L N 0.037 121.368 121.223 0.180 0.000 2.549 710 L HA 0.442 4.782 4.340 -0.000 0.000 0.229 710 L C 0.734 177.658 176.870 0.091 0.000 1.158 710 L CA 1.171 56.089 54.840 0.129 0.000 0.842 710 L CB -0.434 41.695 42.059 0.116 0.000 0.952 710 L HN 0.466 nan 8.230 nan 0.000 0.452 711 G N -0.972 107.885 108.800 0.095 0.000 2.619 711 G HA2 0.716 4.676 3.960 -0.000 0.000 0.296 711 G HA3 0.716 4.676 3.960 -0.000 0.000 0.296 711 G C -1.542 173.369 174.900 0.018 0.000 1.334 711 G CA -0.574 44.553 45.100 0.045 0.000 0.934 711 G HN 0.151 nan 8.290 nan 0.000 0.476 712 E N -0.068 120.116 120.200 -0.027 0.000 2.290 712 E HA 0.503 4.852 4.350 -0.000 0.000 0.274 712 E C -0.884 175.644 176.600 -0.120 0.000 0.889 712 E CA -0.696 55.660 56.400 -0.074 0.000 0.760 712 E CB 2.972 32.633 29.700 -0.065 0.000 1.206 712 E HN 0.432 nan 8.360 nan 0.000 0.419 713 R N 0.665 121.055 120.500 -0.183 0.000 2.771 713 R HA 0.643 4.982 4.340 -0.000 0.000 0.274 713 R C -1.054 174.997 176.300 -0.414 0.000 0.987 713 R CA -0.852 55.060 56.100 -0.314 0.000 0.908 713 R CB 2.408 32.505 30.300 -0.339 0.000 1.213 713 R HN 0.496 nan 8.270 nan 0.000 0.468 714 T N 0.311 114.526 114.554 -0.565 0.000 2.952 714 T HA 0.566 4.916 4.350 -0.000 0.000 0.305 714 T C -1.578 172.705 174.700 -0.696 0.000 1.064 714 T CA -0.577 61.195 62.100 -0.548 0.000 1.008 714 T CB 0.851 69.467 68.868 -0.420 0.000 1.078 714 T HN 0.412 nan 8.240 nan 0.000 0.459 715 Y N 1.941 122.002 120.300 -0.398 0.000 2.524 715 Y HA 0.642 5.192 4.550 -0.000 0.000 0.344 715 Y C -0.818 174.831 175.900 -0.418 0.000 1.012 715 Y CA -1.175 56.747 58.100 -0.296 0.000 1.068 715 Y CB 1.796 40.142 38.460 -0.191 0.000 1.249 715 Y HN 0.637 nan 8.280 nan 0.000 0.468 716 Y N 2.908 123.286 120.300 0.129 0.000 2.356 716 Y HA 0.590 5.140 4.550 -0.000 0.000 0.334 716 Y C -0.346 175.725 175.900 0.284 0.000 0.958 716 Y CA -0.673 57.473 58.100 0.076 0.000 1.196 716 Y CB 0.748 39.013 38.460 -0.326 0.000 1.137 716 Y HN 0.331 nan 8.280 nan 0.000 0.485 717 I N 2.569 123.463 120.570 0.540 0.000 2.646 717 I HA 0.857 5.027 4.170 -0.000 0.000 0.299 717 I C -0.357 176.061 176.117 0.502 0.000 1.036 717 I CA -1.015 60.603 61.300 0.531 0.000 1.074 717 I CB 2.100 40.291 38.000 0.318 0.000 1.258 717 I HN 0.656 nan 8.210 nan 0.000 0.430 718 A N 3.516 126.578 122.820 0.404 0.000 2.479 718 A HA 0.937 5.257 4.320 -0.000 0.000 0.296 718 A C -1.236 176.456 177.584 0.180 0.000 1.121 718 A CA -0.687 51.310 52.037 -0.066 0.000 0.743 718 A CB 1.795 20.660 19.000 -0.225 0.000 1.323 718 A HN 0.746 nan 8.150 nan 0.000 0.415 719 A N 0.689 123.500 122.820 -0.015 0.000 2.285 719 A HA 0.625 4.945 4.320 -0.000 0.000 0.310 719 A C -0.152 177.465 177.584 0.056 0.000 1.266 719 A CA -0.307 51.814 52.037 0.139 0.000 0.832 719 A CB -0.023 19.093 19.000 0.194 0.000 1.163 719 A HN 1.928 nan 8.150 nan 0.000 0.499 720 V N 0.309 120.270 119.914 0.078 0.000 2.850 720 V HA 0.621 4.741 4.120 -0.000 0.000 0.315 720 V C -0.116 175.990 176.094 0.020 0.000 1.064 720 V CA -0.935 61.406 62.300 0.068 0.000 0.979 720 V CB 1.512 33.407 31.823 0.121 0.000 1.039 720 V HN 0.792 nan 8.190 nan 0.000 0.452 721 E N 0.880 121.091 120.200 0.020 0.000 2.109 721 E HA 0.615 4.965 4.350 -0.000 0.000 0.278 721 E C -1.099 175.489 176.600 -0.020 0.000 0.954 721 E CA -0.268 56.103 56.400 -0.049 0.000 0.779 721 E CB 2.062 31.734 29.700 -0.047 0.000 1.093 721 E HN 0.592 nan 8.360 nan 0.000 0.401 722 V N 2.902 122.800 119.914 -0.027 0.000 3.113 722 V HA 0.287 4.407 4.120 -0.000 0.000 0.316 722 V C -0.910 175.226 176.094 0.070 0.000 1.125 722 V CA -0.648 61.678 62.300 0.043 0.000 1.026 722 V CB 2.141 34.011 31.823 0.078 0.000 1.080 722 V HN 0.702 nan 8.190 nan 0.000 0.444 723 E N 3.888 124.158 120.200 0.116 0.000 2.081 723 E HA 0.188 4.538 4.350 -0.000 0.000 0.276 723 E C -1.274 175.433 176.600 0.178 0.000 0.950 723 E CA -0.543 55.951 56.400 0.157 0.000 0.776 723 E CB 0.704 30.492 29.700 0.146 0.000 1.094 723 E HN 0.692 nan 8.360 nan 0.000 0.402 724 W N 4.765 126.030 121.300 -0.059 0.000 2.449 724 W HA 0.315 4.975 4.660 -0.000 0.000 0.331 724 W C -0.992 175.431 176.519 -0.161 0.000 1.119 724 W CA -0.571 56.677 57.345 -0.161 0.000 1.240 724 W CB 1.627 30.917 29.460 -0.284 0.000 1.251 724 W HN 0.487 nan 8.180 nan 0.000 0.576 725 D N 3.838 123.670 120.400 -0.948 0.000 2.549 725 D HA 0.127 4.767 4.640 -0.000 0.000 0.251 725 D C 0.083 175.918 176.300 -0.774 0.000 1.153 725 D CA -0.472 53.164 54.000 -0.607 0.000 0.861 725 D CB 0.855 41.392 40.800 -0.437 0.000 1.207 725 D HN 0.324 nan 8.370 nan 0.000 0.543 726 Y N 1.766 121.894 120.300 -0.287 0.000 2.421 726 Y HA -0.007 4.542 4.550 -0.000 0.000 0.292 726 Y C 1.472 177.298 175.900 -0.124 0.000 1.136 726 Y CA 0.642 58.664 58.100 -0.131 0.000 1.255 726 Y CB 0.505 39.005 38.460 0.066 0.000 0.991 726 Y HN 0.278 nan 8.280 nan 0.000 0.552 727 S N 0.209 115.923 115.700 0.024 0.000 2.488 727 S HA 0.214 4.684 4.470 -0.000 0.000 0.151 727 S C -2.190 172.393 174.600 -0.029 0.000 1.401 727 S CA -1.104 57.114 58.200 0.031 0.000 1.221 727 S CB 0.487 63.775 63.200 0.146 0.000 1.407 727 S HN -0.057 nan 8.310 nan 0.000 0.406 728 P HA -0.062 nan 4.420 nan 0.000 0.226 728 P C 0.141 177.410 177.300 -0.052 0.000 1.153 728 P CA 0.721 63.756 63.100 -0.108 0.000 0.777 728 P CB 0.175 31.773 31.700 -0.169 0.000 0.794 729 Q N 0.094 119.882 119.800 -0.020 0.000 2.356 729 Q HA 0.255 4.595 4.340 -0.000 0.000 0.270 729 Q C -0.072 175.955 176.000 0.046 0.000 1.058 729 Q CA -0.566 55.242 55.803 0.009 0.000 0.802 729 Q CB 2.052 30.797 28.738 0.012 0.000 1.303 729 Q HN -0.020 nan 8.270 nan 0.000 0.444 730 R N 1.779 122.307 120.500 0.047 0.000 2.437 730 R HA 0.118 4.458 4.340 -0.000 0.000 0.257 730 R C 1.041 177.372 176.300 0.052 0.000 0.927 730 R CA -0.369 55.766 56.100 0.058 0.000 1.078 730 R CB 0.784 31.108 30.300 0.041 0.000 1.161 730 R HN 0.607 nan 8.270 nan 0.000 0.529 731 E N 0.799 121.038 120.200 0.064 0.000 2.023 731 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 731 E C 1.374 178.025 176.600 0.086 0.000 1.003 731 E CA 1.404 57.837 56.400 0.054 0.000 0.809 731 E CB -0.164 29.569 29.700 0.055 0.000 0.755 731 E HN 0.376 nan 8.360 nan 0.000 0.449 732 W N 2.236 123.508 121.300 -0.046 0.000 2.325 732 W HA -0.226 4.434 4.660 -0.000 0.000 0.299 732 W C 2.314 178.756 176.519 -0.129 0.000 1.215 732 W CA 2.250 59.569 57.345 -0.045 0.000 1.244 732 W CB -0.101 29.365 29.460 0.010 0.000 1.140 732 W HN 0.211 nan 8.180 nan 0.000 0.523 733 E N 0.472 120.770 120.200 0.162 0.000 2.012 733 E HA -0.338 4.012 4.350 -0.000 0.000 0.197 733 E C 2.250 178.594 176.600 -0.427 0.000 1.007 733 E CA 1.883 58.104 56.400 -0.298 0.000 0.816 733 E CB -0.513 28.930 29.700 -0.428 0.000 0.762 733 E HN 0.204 nan 8.360 nan 0.000 0.451 734 K N 0.449 120.730 120.400 -0.199 0.000 2.032 734 K HA -0.274 4.046 4.320 -0.000 0.000 0.218 734 K C 2.046 178.571 176.600 -0.125 0.000 1.054 734 K CA 2.331 58.556 56.287 -0.103 0.000 0.941 734 K CB -0.143 32.331 32.500 -0.044 0.000 0.720 734 K HN 0.193 nan 8.250 nan 0.000 0.449 735 E N 0.594 120.684 120.200 -0.183 0.000 2.110 735 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 735 E C 1.976 178.414 176.600 -0.271 0.000 0.988 735 E CA 0.923 57.193 56.400 -0.218 0.000 0.804 735 E CB -0.140 29.403 29.700 -0.260 0.000 0.745 735 E HN 0.345 nan 8.360 nan 0.000 0.458 736 L N 1.008 121.953 121.223 -0.463 0.000 2.093 736 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 736 L C 1.981 178.755 176.870 -0.159 0.000 1.085 736 L CA 1.931 56.490 54.840 -0.468 0.000 0.755 736 L CB -0.606 41.015 42.059 -0.730 0.000 0.904 736 L HN 0.220 nan 8.230 nan 0.000 0.435 737 H N -0.882 118.129 119.070 -0.098 0.000 2.276 737 H HA -0.192 4.364 4.556 -0.000 0.000 0.301 737 H C 2.187 177.530 175.328 0.026 0.000 1.073 737 H CA 1.870 57.906 56.048 -0.019 0.000 1.311 737 H CB -0.838 28.913 29.762 -0.019 0.000 1.379 737 H HN 0.566 nan 8.280 nan 0.000 0.494 738 H N 0.551 119.660 119.070 0.065 0.000 2.431 738 H HA -0.104 4.452 4.556 -0.000 0.000 0.297 738 H C 2.209 177.533 175.328 -0.006 0.000 1.115 738 H CA 1.458 57.516 56.048 0.015 0.000 1.277 738 H CB -0.188 29.566 29.762 -0.014 0.000 1.372 738 H HN 0.152 nan 8.280 nan 0.000 0.516 739 L N -0.202 121.097 121.223 0.128 0.000 2.056 739 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 739 L C 2.385 179.260 176.870 0.009 0.000 1.078 739 L CA 1.367 56.236 54.840 0.048 0.000 0.749 739 L CB -0.353 41.695 42.059 -0.018 0.000 0.901 739 L HN 0.446 nan 8.230 nan 0.000 0.433 740 Q N 0.042 119.871 119.800 0.048 0.000 2.378 740 Q HA -0.073 4.267 4.340 -0.000 0.000 0.205 740 Q C -0.303 175.711 176.000 0.023 0.000 0.954 740 Q CA 0.187 56.031 55.803 0.068 0.000 0.901 740 Q CB 0.236 29.072 28.738 0.163 0.000 0.981 740 Q HN 0.378 nan 8.270 nan 0.000 0.483 741 E N 0.873 121.064 120.200 -0.015 0.000 2.298 741 E HA -0.180 4.170 4.350 -0.000 0.000 0.235 741 E C -0.956 175.637 176.600 -0.012 0.000 1.167 741 E CA 0.112 56.472 56.400 -0.067 0.000 0.708 741 E CB -1.297 28.342 29.700 -0.101 0.000 1.236 741 E HN 0.407 nan 8.360 nan 0.000 0.386 742 Q N 0.654 120.461 119.800 0.011 0.000 2.312 742 Q HA 0.268 4.608 4.340 -0.000 0.000 0.263 742 Q C 0.628 176.590 176.000 -0.063 0.000 0.995 742 Q CA -0.494 55.304 55.803 -0.008 0.000 0.853 742 Q CB 1.257 29.983 28.738 -0.020 0.000 1.300 742 Q HN 0.226 nan 8.270 nan 0.000 0.448 743 N N 2.208 120.883 118.700 -0.041 0.000 2.413 743 N HA 0.015 4.755 4.740 -0.000 0.000 0.207 743 N C -0.528 174.941 175.510 -0.068 0.000 1.206 743 N CA -0.010 53.017 53.050 -0.038 0.000 0.832 743 N CB 0.454 38.936 38.487 -0.008 0.000 1.037 743 N HN 0.262 nan 8.380 nan 0.000 0.467 744 V N 0.892 120.713 119.914 -0.156 0.000 2.811 744 V HA 0.095 4.215 4.120 -0.000 0.000 0.302 744 V C 0.508 176.540 176.094 -0.104 0.000 1.063 744 V CA -0.096 62.104 62.300 -0.167 0.000 1.088 744 V CB 1.422 33.074 31.823 -0.286 0.000 0.982 744 V HN 0.132 nan 8.190 nan 0.000 0.485 745 S N 3.215 118.890 115.700 -0.041 0.000 2.472 745 S HA 0.337 4.806 4.470 -0.000 0.000 0.303 745 S C -0.158 174.460 174.600 0.028 0.000 1.099 745 S CA -0.667 57.533 58.200 0.001 0.000 1.077 745 S CB 1.060 64.256 63.200 -0.006 0.000 1.031 745 S HN 0.782 nan 8.310 nan 0.000 0.487 746 N N 1.925 120.670 118.700 0.075 0.000 2.408 746 N HA 0.258 4.998 4.740 -0.000 0.000 0.257 746 N C 0.726 176.238 175.510 0.002 0.000 1.064 746 N CA -0.260 52.864 53.050 0.124 0.000 0.952 746 N CB 1.473 40.101 38.487 0.235 0.000 1.093 746 N HN 0.684 nan 8.380 nan 0.000 0.490 747 A N 4.171 126.856 122.820 -0.225 0.000 1.929 747 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 747 A C 1.378 178.758 177.584 -0.340 0.000 1.176 747 A CA 1.016 52.830 52.037 -0.372 0.000 0.628 747 A CB -0.421 18.205 19.000 -0.623 0.000 0.816 747 A HN 0.678 nan 8.150 nan 0.000 0.444 748 F N -0.682 119.299 119.950 0.051 0.000 2.206 748 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 748 F C 1.862 177.696 175.800 0.057 0.000 1.090 748 F CA 0.471 58.486 58.000 0.025 0.000 1.323 748 F CB -0.362 38.653 39.000 0.025 0.000 1.028 748 F HN 0.071 nan 8.300 nan 0.000 0.492 749 L N -0.610 120.780 121.223 0.277 0.000 2.298 749 L HA 0.072 4.412 4.340 -0.000 0.000 0.209 749 L C 0.125 177.065 176.870 0.117 0.000 1.084 749 L CA 0.935 55.892 54.840 0.195 0.000 0.816 749 L CB -0.942 41.260 42.059 0.237 0.000 0.967 749 L HN -0.046 nan 8.230 nan 0.000 0.460 750 D N 0.820 121.283 120.400 0.105 0.000 2.344 750 D HA -0.007 4.633 4.640 -0.000 0.000 0.253 750 D C 1.240 177.587 176.300 0.078 0.000 1.255 750 D CA 0.072 54.116 54.000 0.073 0.000 0.894 750 D CB 1.444 42.276 40.800 0.053 0.000 1.067 750 D HN -0.067 nan 8.370 nan 0.000 0.492 751 K N 2.474 122.908 120.400 0.057 0.000 2.144 751 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 751 K C 1.330 177.936 176.600 0.009 0.000 1.047 751 K CA 1.510 57.832 56.287 0.059 0.000 0.927 751 K CB -0.301 32.222 32.500 0.039 0.000 0.716 751 K HN 0.712 nan 8.250 nan 0.000 0.454 752 G N -0.352 108.425 108.800 -0.038 0.000 2.596 752 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.295 752 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.295 752 G C 0.591 175.392 174.900 -0.166 0.000 1.240 752 G CA 0.876 45.887 45.100 -0.148 0.000 0.985 752 G HN 0.418 nan 8.290 nan 0.000 0.555 753 E N 0.159 120.155 120.200 -0.340 0.000 2.008 753 E HA 0.184 4.533 4.350 -0.000 0.000 0.191 753 E C 2.034 178.657 176.600 0.038 0.000 0.986 753 E CA 2.621 58.916 56.400 -0.175 0.000 0.807 753 E CB -0.408 29.151 29.700 -0.236 0.000 0.766 753 E HN 1.024 nan 8.360 nan 0.000 0.450 754 F N -2.993 116.934 119.950 -0.037 0.000 2.856 754 F HA 0.437 4.964 4.527 -0.000 0.000 0.338 754 F C -0.224 175.763 175.800 0.310 0.000 1.100 754 F CA -1.317 56.775 58.000 0.153 0.000 1.150 754 F CB -0.109 39.003 39.000 0.186 0.000 1.101 754 F HN -0.262 nan 8.300 nan 0.000 0.548 755 Y N 2.806 123.099 120.300 -0.012 0.000 2.550 755 Y HA 0.192 4.742 4.550 -0.000 0.000 0.343 755 Y C 0.851 176.832 175.900 0.136 0.000 1.245 755 Y CA -1.493 56.660 58.100 0.088 0.000 1.462 755 Y CB 0.301 38.707 38.460 -0.090 0.000 1.340 755 Y HN 0.001 nan 8.280 nan 0.000 0.604 756 I N 2.691 123.452 120.570 0.319 0.000 2.365 756 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 756 I C 0.961 177.065 176.117 -0.023 0.000 1.004 756 I CA 0.028 61.431 61.300 0.172 0.000 1.311 756 I CB 0.755 38.911 38.000 0.260 0.000 1.401 756 I HN 0.743 nan 8.210 nan 0.000 0.491 757 G N 5.080 113.799 108.800 -0.136 0.000 2.609 757 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.167 757 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.167 757 G C 0.821 175.623 174.900 -0.163 0.000 1.668 757 G CA 1.080 46.098 45.100 -0.137 0.000 0.886 757 G HN 0.723 nan 8.290 nan 0.000 0.378 758 S N -1.770 113.815 115.700 -0.192 0.000 2.559 758 S HA 0.341 4.811 4.470 -0.000 0.000 0.226 758 S C 0.603 175.190 174.600 -0.022 0.000 1.030 758 S CA -0.207 57.992 58.200 -0.002 0.000 0.956 758 S CB 0.423 63.651 63.200 0.048 0.000 0.900 758 S HN 0.301 nan 8.310 nan 0.000 0.510 759 K N 1.026 121.172 120.400 -0.423 0.000 2.159 759 K HA 0.597 4.917 4.320 -0.000 0.000 0.266 759 K C -1.796 174.385 176.600 -0.699 0.000 0.975 759 K CA -0.444 55.575 56.287 -0.447 0.000 0.865 759 K CB 1.121 33.240 32.500 -0.636 0.000 1.087 759 K HN 0.264 nan 8.250 nan 0.000 0.446 760 Y N 0.415 120.752 120.300 0.063 0.000 2.544 760 Y HA 0.225 4.775 4.550 -0.000 0.000 0.342 760 Y C -0.208 175.876 175.900 0.307 0.000 1.062 760 Y CA -1.122 57.160 58.100 0.303 0.000 1.023 760 Y CB 1.614 40.275 38.460 0.335 0.000 1.308 760 Y HN 0.408 nan 8.280 nan 0.000 0.457 761 K N 2.881 123.581 120.400 0.499 0.000 2.382 761 K HA 0.391 4.710 4.320 -0.000 0.000 0.275 761 K C -1.032 175.602 176.600 0.057 0.000 1.009 761 K CA -0.036 56.370 56.287 0.198 0.000 0.970 761 K CB 0.483 33.024 32.500 0.068 0.000 0.934 761 K HN 0.703 nan 8.250 nan 0.000 0.479 762 K N 1.705 122.047 120.400 -0.097 0.000 2.495 762 K HA 0.430 4.750 4.320 -0.000 0.000 0.268 762 K C -1.772 174.686 176.600 -0.237 0.000 1.008 762 K CA -1.102 55.105 56.287 -0.134 0.000 0.882 762 K CB 2.229 34.648 32.500 -0.136 0.000 1.443 762 K HN 0.305 nan 8.250 nan 0.000 0.447 763 V N 2.121 121.954 119.914 -0.134 0.000 2.540 763 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 763 V C -1.040 174.917 176.094 -0.228 0.000 1.035 763 V CA -0.443 61.773 62.300 -0.140 0.000 0.873 763 V CB 1.502 33.292 31.823 -0.055 0.000 0.992 763 V HN 0.583 nan 8.190 nan 0.000 0.428 764 V N 4.017 123.812 119.914 -0.198 0.000 3.130 764 V HA 0.638 4.758 4.120 -0.000 0.000 0.310 764 V C -1.440 174.619 176.094 -0.059 0.000 1.158 764 V CA -1.128 61.043 62.300 -0.216 0.000 1.029 764 V CB 1.869 33.576 31.823 -0.193 0.000 1.057 764 V HN 0.685 nan 8.190 nan 0.000 0.436 765 Y N 1.919 122.254 120.300 0.058 0.000 2.425 765 Y HA 0.761 5.311 4.550 -0.000 0.000 0.347 765 Y C 0.493 176.487 175.900 0.156 0.000 0.976 765 Y CA -0.558 57.649 58.100 0.178 0.000 1.190 765 Y CB 0.696 39.310 38.460 0.257 0.000 1.136 765 Y HN 0.447 nan 8.280 nan 0.000 0.517 766 R N 2.302 123.024 120.500 0.370 0.000 2.562 766 R HA 0.276 4.616 4.340 -0.000 0.000 0.298 766 R C -0.515 175.954 176.300 0.282 0.000 0.961 766 R CA -1.117 55.124 56.100 0.234 0.000 0.881 766 R CB 1.680 32.069 30.300 0.148 0.000 1.159 766 R HN 0.732 nan 8.270 nan 0.000 0.450 767 Q N 2.013 121.892 119.800 0.131 0.000 2.340 767 Q HA 0.265 4.605 4.340 -0.000 0.000 0.249 767 Q C -1.033 174.962 176.000 -0.008 0.000 0.957 767 Q CA 0.034 55.939 55.803 0.170 0.000 0.882 767 Q CB 0.688 29.489 28.738 0.106 0.000 1.235 767 Q HN 0.471 nan 8.270 nan 0.000 0.439 768 Y N -0.227 120.153 120.300 0.133 0.000 2.659 768 Y HA 0.212 4.762 4.550 -0.000 0.000 0.333 768 Y C 1.355 177.214 175.900 -0.068 0.000 1.064 768 Y CA -0.134 57.979 58.100 0.021 0.000 1.141 768 Y CB 1.929 40.375 38.460 -0.023 0.000 1.316 768 Y HN 0.840 nan 8.280 nan 0.000 0.509 769 T N -2.850 111.699 114.554 -0.009 0.000 2.894 769 T HA 0.088 4.438 4.350 -0.000 0.000 0.258 769 T C -0.138 174.290 174.700 -0.453 0.000 1.043 769 T CA 1.424 63.442 62.100 -0.136 0.000 1.141 769 T CB -0.158 68.642 68.868 -0.113 0.000 0.873 769 T HN 0.655 nan 8.240 nan 0.000 0.449 770 D N -0.130 119.827 120.400 -0.738 0.000 2.677 770 D HA 0.327 4.967 4.640 -0.000 0.000 0.298 770 D C 0.860 176.390 176.300 -1.283 0.000 1.250 770 D CA -0.206 52.999 54.000 -1.326 0.000 0.888 770 D CB 0.788 41.183 40.800 -0.675 0.000 1.397 770 D HN 0.024 nan 8.370 nan 0.000 0.461 771 S N -1.298 113.821 115.700 -0.967 0.000 2.462 771 S HA -0.217 4.253 4.470 -0.000 0.000 0.243 771 S C 1.698 176.222 174.600 -0.127 0.000 1.003 771 S CA 1.651 59.665 58.200 -0.310 0.000 0.970 771 S CB -1.299 61.911 63.200 0.017 0.000 0.762 771 S HN 0.777 nan 8.310 nan 0.000 0.510 772 T N -2.020 112.410 114.554 -0.207 0.000 3.023 772 T HA 0.111 4.461 4.350 -0.000 0.000 0.266 772 T C 0.659 175.404 174.700 0.075 0.000 1.093 772 T CA 0.122 62.202 62.100 -0.033 0.000 1.129 772 T CB -1.048 67.785 68.868 -0.059 0.000 0.899 772 T HN 0.322 nan 8.240 nan 0.000 0.491 773 F N 2.033 121.896 119.950 -0.146 0.000 3.067 773 F HA -0.230 4.297 4.527 -0.000 0.000 0.279 773 F C 1.282 176.988 175.800 -0.156 0.000 0.945 773 F CA 0.846 58.687 58.000 -0.264 0.000 0.948 773 F CB -1.692 37.059 39.000 -0.414 0.000 0.898 773 F HN 0.422 nan 8.300 nan 0.000 0.746 774 R N -1.755 118.812 120.500 0.111 0.000 2.476 774 R HA 0.509 4.849 4.340 -0.000 0.000 0.276 774 R C -0.332 176.075 176.300 0.178 0.000 0.941 774 R CA 0.085 56.266 56.100 0.135 0.000 1.088 774 R CB 0.816 31.156 30.300 0.066 0.000 1.216 774 R HN 0.173 nan 8.270 nan 0.000 0.533 775 V N 4.089 124.130 119.914 0.211 0.000 2.419 775 V HA 0.351 4.471 4.120 -0.000 0.000 0.287 775 V C -2.428 173.739 176.094 0.123 0.000 1.017 775 V CA -2.068 60.309 62.300 0.129 0.000 0.844 775 V CB 2.340 34.182 31.823 0.031 0.000 1.011 775 V HN 0.053 nan 8.190 nan 0.000 0.429 776 P HA 0.301 nan 4.420 nan 0.000 0.281 776 P C -0.447 176.707 177.300 -0.244 0.000 1.249 776 P CA -0.256 62.540 63.100 -0.507 0.000 0.810 776 P CB 1.925 33.261 31.700 -0.606 0.000 1.008 777 V N 2.490 122.264 119.914 -0.233 0.000 2.470 777 V HA 0.049 4.169 4.120 -0.000 0.000 0.276 777 V C 1.002 177.044 176.094 -0.087 0.000 1.040 777 V CA 0.074 62.313 62.300 -0.102 0.000 1.008 777 V CB -0.234 31.561 31.823 -0.046 0.000 0.990 777 V HN 0.569 nan 8.190 nan 0.000 0.477 778 E N 4.359 124.528 120.200 -0.053 0.000 2.376 778 E HA 0.092 4.442 4.350 -0.000 0.000 0.266 778 E C 0.274 176.865 176.600 -0.015 0.000 1.009 778 E CA 0.112 56.493 56.400 -0.033 0.000 0.902 778 E CB 0.334 30.022 29.700 -0.020 0.000 0.972 778 E HN 0.453 nan 8.360 nan 0.000 0.439 779 R N 3.926 124.423 120.500 -0.006 0.000 2.288 779 R HA 0.067 4.407 4.340 -0.000 0.000 0.330 779 R C 0.343 176.656 176.300 0.021 0.000 1.069 779 R CA -0.162 55.944 56.100 0.012 0.000 0.941 779 R CB 0.278 30.588 30.300 0.017 0.000 0.998 779 R HN 0.543 nan 8.270 nan 0.000 0.452 780 K N 2.119 122.534 120.400 0.026 0.000 2.233 780 K HA 0.221 4.541 4.320 -0.000 0.000 0.239 780 K C 0.937 177.567 176.600 0.049 0.000 1.064 780 K CA -0.095 56.209 56.287 0.029 0.000 0.884 780 K CB 0.321 32.833 32.500 0.021 0.000 1.166 780 K HN 0.367 nan 8.250 nan 0.000 0.512 781 A N 1.204 124.053 122.820 0.049 0.000 1.883 781 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 781 A C 1.777 179.425 177.584 0.107 0.000 1.186 781 A CA 1.719 53.798 52.037 0.070 0.000 0.624 781 A CB -0.846 18.188 19.000 0.058 0.000 0.822 781 A HN 0.873 nan 8.150 nan 0.000 0.444 782 E N 0.884 121.134 120.200 0.083 0.000 2.533 782 E HA -0.150 4.200 4.350 -0.000 0.000 0.201 782 E C 0.442 177.158 176.600 0.193 0.000 1.097 782 E CA 1.086 57.536 56.400 0.084 0.000 0.887 782 E CB -0.560 29.128 29.700 -0.019 0.000 0.855 782 E HN 0.954 nan 8.360 nan 0.000 0.540 783 E N -0.024 120.307 120.200 0.218 0.000 2.789 783 E HA 0.109 4.459 4.350 -0.000 0.000 0.217 783 E C 1.261 177.940 176.600 0.132 0.000 0.970 783 E CA -0.184 56.348 56.400 0.221 0.000 1.201 783 E CB -0.016 29.745 29.700 0.103 0.000 1.069 783 E HN 0.164 nan 8.360 nan 0.000 0.499 784 E N 2.246 122.554 120.200 0.181 0.000 2.150 784 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 784 E C 1.901 178.557 176.600 0.093 0.000 0.985 784 E CA 1.303 57.767 56.400 0.108 0.000 0.814 784 E CB -0.156 29.606 29.700 0.103 0.000 0.752 784 E HN 0.490 nan 8.360 nan 0.000 0.466 785 H N 0.538 119.667 119.070 0.098 0.000 2.560 785 H HA -0.081 4.475 4.556 -0.000 0.000 0.283 785 H C 1.710 177.095 175.328 0.094 0.000 1.028 785 H CA 0.633 56.736 56.048 0.093 0.000 1.221 785 H CB -0.370 29.473 29.762 0.135 0.000 1.363 785 H HN 0.290 nan 8.280 nan 0.000 0.594 786 L N 0.193 121.071 121.223 -0.576 0.000 2.376 786 L HA 0.052 4.392 4.340 -0.000 0.000 0.219 786 L C 2.086 178.878 176.870 -0.129 0.000 1.133 786 L CA 0.474 55.067 54.840 -0.411 0.000 0.816 786 L CB -0.477 41.405 42.059 -0.294 0.000 0.933 786 L HN 0.566 nan 8.230 nan 0.000 0.449 787 G N 1.329 110.121 108.800 -0.013 0.000 2.660 787 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.321 787 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.321 787 G C 0.889 175.873 174.900 0.139 0.000 1.246 787 G CA 0.760 45.967 45.100 0.178 0.000 1.000 787 G HN 0.318 nan 8.290 nan 0.000 0.550 788 I N 1.300 121.774 120.570 -0.160 0.000 2.546 788 I HA 0.158 4.328 4.170 -0.000 0.000 0.255 788 I C 1.562 177.452 176.117 -0.377 0.000 1.163 788 I CA 0.132 60.972 61.300 -0.766 0.000 1.457 788 I CB -0.280 37.035 38.000 -1.142 0.000 1.092 788 I HN 0.368 nan 8.210 nan 0.000 0.434 789 L N 0.931 122.037 121.223 -0.196 0.000 2.503 789 L HA 0.000 4.340 4.340 -0.000 0.000 0.287 789 L C 1.157 177.997 176.870 -0.051 0.000 1.252 789 L CA 0.278 55.045 54.840 -0.121 0.000 0.835 789 L CB -0.287 41.711 42.059 -0.102 0.000 1.099 789 L HN 0.161 nan 8.230 nan 0.000 0.516 790 G N 1.164 109.975 108.800 0.018 0.000 2.535 790 G HA2 0.389 4.349 3.960 -0.000 0.000 0.282 790 G HA3 0.389 4.349 3.960 -0.000 0.000 0.282 790 G C -2.474 172.508 174.900 0.136 0.000 1.350 790 G CA -0.803 44.406 45.100 0.183 0.000 1.039 790 G HN 0.453 nan 8.290 nan 0.000 0.509 791 P HA 0.099 nan 4.420 nan 0.000 0.274 791 P C -0.794 176.569 177.300 0.105 0.000 1.237 791 P CA -0.181 62.975 63.100 0.094 0.000 0.793 791 P CB 0.941 32.667 31.700 0.043 0.000 0.977 792 Q N 1.279 121.120 119.800 0.068 0.000 2.452 792 Q HA 0.229 4.569 4.340 -0.000 0.000 0.230 792 Q C -0.266 175.747 176.000 0.022 0.000 1.180 792 Q CA -0.308 55.541 55.803 0.076 0.000 0.914 792 Q CB -0.331 28.491 28.738 0.141 0.000 1.408 792 Q HN 0.405 nan 8.270 nan 0.000 0.520 793 L N 2.585 123.750 121.223 -0.095 0.000 2.426 793 L HA 0.194 4.534 4.340 -0.000 0.000 0.271 793 L C -0.038 176.780 176.870 -0.086 0.000 1.169 793 L CA -0.014 54.633 54.840 -0.322 0.000 0.836 793 L CB 0.292 42.019 42.059 -0.552 0.000 1.112 793 L HN 0.503 nan 8.230 nan 0.000 0.465 794 H N 1.339 120.416 119.070 0.012 0.000 2.569 794 H HA 0.806 5.362 4.556 -0.000 0.000 0.357 794 H C -0.703 174.720 175.328 0.157 0.000 1.153 794 H CA -0.294 55.803 56.048 0.081 0.000 1.193 794 H CB 2.001 31.813 29.762 0.083 0.000 1.602 794 H HN 0.716 nan 8.280 nan 0.000 0.523 795 A N 2.866 125.802 122.820 0.193 0.000 2.566 795 A HA 0.394 4.714 4.320 -0.000 0.000 0.297 795 A C -1.386 176.269 177.584 0.118 0.000 1.059 795 A CA -0.958 51.173 52.037 0.157 0.000 0.691 795 A CB 1.378 20.462 19.000 0.140 0.000 1.282 795 A HN 0.696 nan 8.150 nan 0.000 0.401 796 D N 0.677 121.135 120.400 0.097 0.000 2.326 796 D HA 0.433 5.073 4.640 -0.000 0.000 0.251 796 D C 0.051 176.388 176.300 0.062 0.000 1.023 796 D CA -0.311 53.736 54.000 0.079 0.000 0.966 796 D CB 1.785 42.625 40.800 0.068 0.000 1.156 796 D HN 0.247 nan 8.370 nan 0.000 0.494 797 V N 0.693 120.638 119.914 0.051 0.000 2.529 797 V HA 0.374 4.494 4.120 -0.000 0.000 0.292 797 V C 1.407 177.508 176.094 0.010 0.000 1.028 797 V CA 1.217 63.536 62.300 0.032 0.000 1.074 797 V CB 0.318 32.155 31.823 0.023 0.000 0.958 797 V HN 1.002 nan 8.190 nan 0.000 0.481 798 G N 3.571 112.374 108.800 0.005 0.000 2.192 798 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.193 798 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.193 798 G C -0.138 174.870 174.900 0.180 0.000 0.999 798 G CA -0.143 44.947 45.100 -0.016 0.000 0.659 798 G HN 0.641 nan 8.290 nan 0.000 0.503 799 D N 0.244 120.701 120.400 0.095 0.000 2.411 799 D HA 0.594 5.234 4.640 -0.000 0.000 0.251 799 D C 0.496 176.716 176.300 -0.133 0.000 1.201 799 D CA 0.084 54.101 54.000 0.029 0.000 0.996 799 D CB 0.599 41.408 40.800 0.015 0.000 1.101 799 D HN 0.121 nan 8.370 nan 0.000 0.504 800 K N 0.693 120.988 120.400 -0.176 0.000 2.701 800 K HA 0.301 4.621 4.320 -0.000 0.000 0.212 800 K C -1.230 175.261 176.600 -0.181 0.000 1.035 800 K CA -0.462 55.651 56.287 -0.292 0.000 1.048 800 K CB 1.377 33.681 32.500 -0.326 0.000 1.234 800 K HN 0.117 nan 8.250 nan 0.000 0.540 801 V N 2.513 122.348 119.914 -0.132 0.000 2.686 801 V HA 0.209 4.329 4.120 -0.000 0.000 0.295 801 V C 0.210 176.147 176.094 -0.262 0.000 1.055 801 V CA -0.218 61.997 62.300 -0.142 0.000 1.050 801 V CB 1.121 32.934 31.823 -0.016 0.000 0.984 801 V HN 0.537 nan 8.190 nan 0.000 0.482 802 K N 3.887 124.103 120.400 -0.308 0.000 2.579 802 K HA 0.541 4.860 4.320 -0.000 0.000 0.250 802 K C -1.683 174.690 176.600 -0.378 0.000 0.952 802 K CA -0.704 55.379 56.287 -0.340 0.000 0.857 802 K CB 1.212 33.550 32.500 -0.271 0.000 1.123 802 K HN 0.497 nan 8.250 nan 0.000 0.433 803 I N 5.644 125.941 120.570 -0.456 0.000 2.304 803 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 803 I C -0.174 175.880 176.117 -0.104 0.000 1.018 803 I CA -0.599 60.500 61.300 -0.335 0.000 1.260 803 I CB 1.093 38.779 38.000 -0.524 0.000 1.390 803 I HN 0.517 nan 8.210 nan 0.000 0.475 804 I N 7.428 127.940 120.570 -0.097 0.000 2.308 804 I HA 0.124 4.294 4.170 -0.000 0.000 0.293 804 I C -0.310 176.031 176.117 0.374 0.000 1.078 804 I CA -0.227 61.126 61.300 0.088 0.000 1.292 804 I CB -0.424 37.579 38.000 0.006 0.000 1.423 804 I HN 0.338 nan 8.210 nan 0.000 0.493 805 F N 7.724 127.789 119.950 0.191 0.000 2.444 805 F HA 0.482 5.009 4.527 -0.000 0.000 0.342 805 F C -0.029 175.777 175.800 0.010 0.000 1.121 805 F CA -0.732 57.379 58.000 0.185 0.000 0.997 805 F CB 1.102 40.270 39.000 0.279 0.000 1.130 805 F HN 0.391 nan 8.300 nan 0.000 0.454 806 K N 5.267 125.086 120.400 -0.968 0.000 2.292 806 K HA 0.310 4.630 4.320 -0.000 0.000 0.257 806 K C -1.263 174.712 176.600 -1.041 0.000 0.940 806 K CA -0.765 54.900 56.287 -1.038 0.000 0.811 806 K CB 1.182 32.715 32.500 -1.611 0.000 1.120 806 K HN 0.819 nan 8.250 nan 0.000 0.428 807 N N 4.730 123.072 118.700 -0.596 0.000 2.420 807 N HA 0.143 4.883 4.740 -0.000 0.000 0.249 807 N C 0.281 175.671 175.510 -0.199 0.000 1.033 807 N CA -0.253 52.618 53.050 -0.299 0.000 0.944 807 N CB 0.535 39.019 38.487 -0.005 0.000 1.113 807 N HN 0.571 nan 8.380 nan 0.000 0.502 808 M N 2.051 121.558 119.600 -0.155 0.000 2.371 808 M HA 0.249 4.728 4.480 -0.000 0.000 0.246 808 M C 0.690 177.003 176.300 0.021 0.000 1.103 808 M CA -0.315 54.931 55.300 -0.090 0.000 1.010 808 M CB 0.533 33.064 32.600 -0.115 0.000 1.457 808 M HN 0.459 nan 8.290 nan 0.000 0.486 809 A N 0.998 123.882 122.820 0.106 0.000 2.445 809 A HA 0.363 4.683 4.320 -0.000 0.000 0.270 809 A C 1.213 178.889 177.584 0.153 0.000 1.495 809 A CA 0.323 52.484 52.037 0.206 0.000 0.840 809 A CB -0.152 19.117 19.000 0.449 0.000 1.472 809 A HN 0.409 nan 8.150 nan 0.000 0.541 810 T N -2.412 112.257 114.554 0.190 0.000 3.174 810 T HA 0.418 4.768 4.350 -0.000 0.000 0.269 810 T C 0.085 174.749 174.700 -0.059 0.000 1.017 810 T CA -0.055 62.091 62.100 0.077 0.000 0.899 810 T CB -0.591 68.347 68.868 0.118 0.000 1.077 810 T HN 0.908 nan 8.240 nan 0.000 0.552 811 R N -0.910 119.479 120.500 -0.184 0.000 2.604 811 R HA 0.517 4.857 4.340 -0.000 0.000 0.261 811 R C -3.597 172.279 176.300 -0.707 0.000 1.080 811 R CA -1.950 53.876 56.100 -0.456 0.000 0.917 811 R CB -0.068 29.853 30.300 -0.632 0.000 1.252 811 R HN -0.181 nan 8.270 nan 0.000 0.456 812 P HA -0.118 nan 4.420 nan 0.000 0.259 812 P C -1.407 175.616 177.300 -0.461 0.000 1.155 812 P CA 0.887 63.784 63.100 -0.338 0.000 0.759 812 P CB -0.014 31.546 31.700 -0.234 0.000 0.753 813 Y N 0.438 120.808 120.300 0.118 0.000 2.715 813 Y HA 0.666 5.216 4.550 -0.000 0.000 0.331 813 Y C 0.622 176.639 175.900 0.195 0.000 1.197 813 Y CA -0.517 57.679 58.100 0.159 0.000 1.079 813 Y CB 1.664 40.266 38.460 0.237 0.000 1.298 813 Y HN 0.416 nan 8.280 nan 0.000 0.477 814 S N 0.113 115.948 115.700 0.226 0.000 2.727 814 S HA 0.774 5.244 4.470 -0.000 0.000 0.278 814 S C -1.885 172.424 174.600 -0.486 0.000 1.186 814 S CA -0.824 57.285 58.200 -0.152 0.000 0.836 814 S CB 1.886 65.066 63.200 -0.033 0.000 1.186 814 S HN 0.804 nan 8.310 nan 0.000 0.499 815 I N 0.980 121.026 120.570 -0.872 0.000 2.569 815 I HA 0.783 4.952 4.170 -0.000 0.000 0.290 815 I C -1.594 174.278 176.117 -0.407 0.000 1.088 815 I CA -0.123 60.818 61.300 -0.599 0.000 1.047 815 I CB 1.888 39.409 38.000 -0.799 0.000 1.237 815 I HN 1.018 nan 8.210 nan 0.000 0.421 816 H N 5.269 124.049 119.070 -0.484 0.000 2.966 816 H HA 0.932 5.488 4.556 -0.000 0.000 0.330 816 H C -1.744 173.106 175.328 -0.796 0.000 1.292 816 H CA -0.050 55.633 56.048 -0.608 0.000 1.127 816 H CB 2.297 31.660 29.762 -0.666 0.000 1.863 816 H HN 0.802 nan 8.280 nan 0.000 0.543 817 A N 1.249 123.193 122.820 -1.461 0.000 2.574 817 A HA 0.490 4.810 4.320 -0.000 0.000 0.297 817 A C -1.390 175.837 177.584 -0.596 0.000 1.062 817 A CA -0.714 50.833 52.037 -0.815 0.000 0.686 817 A CB 0.764 19.124 19.000 -1.067 0.000 1.285 817 A HN 0.799 nan 8.150 nan 0.000 0.403 818 H N -0.010 118.906 119.070 -0.256 0.000 2.822 818 H HA 0.387 4.943 4.556 -0.000 0.000 0.373 818 H C 1.737 176.583 175.328 -0.802 0.000 1.223 818 H CA 1.903 57.813 56.048 -0.231 0.000 1.436 818 H CB 0.599 30.399 29.762 0.062 0.000 1.439 818 H HN 1.728 nan 8.280 nan 0.000 0.618 819 G N 0.148 108.390 108.800 -0.929 0.000 2.343 819 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.264 819 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.264 819 G C 0.393 174.678 174.900 -1.025 0.000 0.989 819 G CA 0.676 44.793 45.100 -1.639 0.000 0.627 819 G HN 0.586 nan 8.290 nan 0.000 0.549 820 V N 1.309 120.716 119.914 -0.846 0.000 2.732 820 V HA 0.453 4.573 4.120 -0.000 0.000 0.297 820 V C 0.791 176.656 176.094 -0.382 0.000 1.060 820 V CA -0.037 61.914 62.300 -0.581 0.000 1.038 820 V CB 1.767 33.150 31.823 -0.734 0.000 1.003 820 V HN 0.539 nan 8.190 nan 0.000 0.481 821 Q N 2.480 122.151 119.800 -0.215 0.000 2.230 821 Q HA 0.554 4.894 4.340 -0.000 0.000 0.253 821 Q C -0.541 175.446 176.000 -0.023 0.000 0.919 821 Q CA -0.482 55.255 55.803 -0.110 0.000 0.908 821 Q CB 1.657 30.363 28.738 -0.053 0.000 1.245 821 Q HN 0.950 nan 8.270 nan 0.000 0.437 822 T N -0.069 114.509 114.554 0.040 0.000 2.864 822 T HA 0.319 4.669 4.350 -0.000 0.000 0.289 822 T C 0.255 175.028 174.700 0.121 0.000 1.082 822 T CA -0.771 61.402 62.100 0.122 0.000 1.009 822 T CB 1.158 70.151 68.868 0.208 0.000 1.234 822 T HN 0.546 nan 8.240 nan 0.000 0.526 823 E N 1.004 121.275 120.200 0.118 0.000 2.046 823 E HA 0.096 4.446 4.350 -0.000 0.000 0.190 823 E C 1.251 177.915 176.600 0.105 0.000 0.982 823 E CA 1.255 57.712 56.400 0.095 0.000 0.800 823 E CB -0.069 29.672 29.700 0.067 0.000 0.756 823 E HN 0.758 nan 8.360 nan 0.000 0.449 824 S N -1.338 114.427 115.700 0.109 0.000 2.841 824 S HA 0.436 4.906 4.470 -0.000 0.000 0.318 824 S C 0.920 175.601 174.600 0.135 0.000 1.127 824 S CA -0.138 58.109 58.200 0.079 0.000 0.883 824 S CB 1.265 64.477 63.200 0.020 0.000 1.271 824 S HN 0.072 nan 8.310 nan 0.000 0.567 825 S N -0.576 115.138 115.700 0.023 0.000 2.497 825 S HA 0.184 4.654 4.470 -0.000 0.000 0.221 825 S C 0.981 175.570 174.600 -0.019 0.000 1.037 825 S CA 0.490 58.719 58.200 0.047 0.000 0.920 825 S CB -0.709 62.326 63.200 -0.276 0.000 0.800 825 S HN 0.927 nan 8.310 nan 0.000 0.505 826 T N 2.015 116.541 114.554 -0.046 0.000 2.900 826 T HA 0.428 4.778 4.350 -0.000 0.000 0.307 826 T C -0.721 173.964 174.700 -0.024 0.000 1.065 826 T CA -0.033 62.044 62.100 -0.040 0.000 1.105 826 T CB 0.545 69.392 68.868 -0.035 0.000 0.979 826 T HN 0.131 nan 8.240 nan 0.000 0.544 827 V N 5.051 124.951 119.914 -0.024 0.000 2.447 827 V HA 0.288 4.408 4.120 -0.000 0.000 0.292 827 V C 0.292 176.445 176.094 0.099 0.000 1.021 827 V CA -0.873 61.434 62.300 0.013 0.000 0.850 827 V CB 1.813 33.539 31.823 -0.162 0.000 1.005 827 V HN 1.114 nan 8.190 nan 0.000 0.426 828 T N 8.350 123.003 114.554 0.166 0.000 2.853 828 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 828 T C -2.222 172.597 174.700 0.199 0.000 0.978 828 T CA -0.428 61.749 62.100 0.129 0.000 1.152 828 T CB 0.696 69.595 68.868 0.051 0.000 0.914 828 T HN 0.475 nan 8.240 nan 0.000 0.539 829 P HA 0.186 nan 4.420 nan 0.000 0.281 829 P C -0.486 176.917 177.300 0.173 0.000 1.252 829 P CA -0.479 62.712 63.100 0.153 0.000 0.778 829 P CB 0.517 32.261 31.700 0.072 0.000 0.895 830 T N 4.285 119.010 114.554 0.286 0.000 2.794 830 T HA 0.260 4.609 4.350 -0.000 0.000 0.296 830 T C 0.795 175.586 174.700 0.153 0.000 0.949 830 T CA -0.188 62.071 62.100 0.266 0.000 1.101 830 T CB 0.092 69.267 68.868 0.512 0.000 0.905 830 T HN 0.204 nan 8.240 nan 0.000 0.516 831 L N 4.517 125.778 121.223 0.062 0.000 2.468 831 L HA 0.353 4.693 4.340 -0.000 0.000 0.254 831 L C -2.012 174.856 176.870 -0.004 0.000 1.171 831 L CA -2.432 52.411 54.840 0.004 0.000 0.809 831 L CB 0.158 42.209 42.059 -0.015 0.000 1.155 831 L HN 0.319 nan 8.230 nan 0.000 0.473 832 P HA 0.085 nan 4.420 nan 0.000 0.271 832 P C 0.551 177.822 177.300 -0.048 0.000 1.216 832 P CA 0.592 63.673 63.100 -0.031 0.000 0.776 832 P CB 0.841 32.522 31.700 -0.030 0.000 0.881 833 G N 1.244 109.998 108.800 -0.075 0.000 2.302 833 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 833 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 833 G C 0.306 175.144 174.900 -0.103 0.000 0.995 833 G CA 0.329 45.376 45.100 -0.089 0.000 0.622 833 G HN 0.629 nan 8.290 nan 0.000 0.538 834 E N 0.760 120.908 120.200 -0.087 0.000 2.343 834 E HA 0.562 4.912 4.350 -0.000 0.000 0.269 834 E C 0.032 176.561 176.600 -0.117 0.000 1.047 834 E CA 0.208 56.564 56.400 -0.073 0.000 0.874 834 E CB 0.766 30.446 29.700 -0.032 0.000 1.033 834 E HN 0.253 nan 8.360 nan 0.000 0.409 835 T N 3.682 118.180 114.554 -0.095 0.000 2.841 835 T HA 0.534 4.884 4.350 -0.000 0.000 0.285 835 T C -1.256 173.430 174.700 -0.024 0.000 0.991 835 T CA -0.712 61.325 62.100 -0.104 0.000 0.966 835 T CB 0.781 69.578 68.868 -0.119 0.000 0.962 835 T HN 0.282 nan 8.240 nan 0.000 0.438 836 L N 3.009 124.238 121.223 0.010 0.000 2.257 836 L HA 0.818 5.158 4.340 -0.000 0.000 0.257 836 L C 0.109 176.917 176.870 -0.104 0.000 1.033 836 L CA -0.504 54.289 54.840 -0.079 0.000 0.835 836 L CB 2.522 44.477 42.059 -0.174 0.000 1.398 836 L HN 0.795 nan 8.230 nan 0.000 0.429 837 T N 0.111 114.513 114.554 -0.252 0.000 2.848 837 T HA 0.629 4.979 4.350 -0.000 0.000 0.285 837 T C -1.414 173.062 174.700 -0.374 0.000 0.995 837 T CA -0.260 61.714 62.100 -0.210 0.000 0.970 837 T CB 0.827 69.615 68.868 -0.133 0.000 0.976 837 T HN 0.164 nan 8.240 nan 0.000 0.441 838 Y N 0.774 121.000 120.300 -0.124 0.000 2.485 838 Y HA 0.679 5.229 4.550 -0.000 0.000 0.345 838 Y C -0.202 175.519 175.900 -0.298 0.000 0.998 838 Y CA -1.087 56.929 58.100 -0.140 0.000 1.059 838 Y CB 1.738 40.128 38.460 -0.117 0.000 1.234 838 Y HN 0.299 nan 8.280 nan 0.000 0.461 839 V N 2.141 122.034 119.914 -0.035 0.000 2.531 839 V HA 0.355 4.475 4.120 -0.000 0.000 0.301 839 V C -1.350 174.784 176.094 0.066 0.000 1.034 839 V CA -0.995 61.230 62.300 -0.125 0.000 0.865 839 V CB 1.230 33.014 31.823 -0.067 0.000 0.995 839 V HN 0.618 nan 8.190 nan 0.000 0.424 840 W N 3.550 124.794 121.300 -0.094 0.000 2.532 840 W HA 0.613 5.273 4.660 -0.000 0.000 0.321 840 W C -0.077 176.327 176.519 -0.193 0.000 1.037 840 W CA -1.672 55.591 57.345 -0.136 0.000 1.220 840 W CB 1.352 30.714 29.460 -0.164 0.000 1.361 840 W HN 0.407 nan 8.180 nan 0.000 0.468 841 K N 3.385 123.782 120.400 -0.005 0.000 2.130 841 K HA 0.474 4.794 4.320 -0.000 0.000 0.268 841 K C -0.005 176.529 176.600 -0.109 0.000 0.983 841 K CA -0.827 55.325 56.287 -0.226 0.000 0.893 841 K CB 1.733 34.047 32.500 -0.311 0.000 1.066 841 K HN 0.157 nan 8.250 nan 0.000 0.450 842 I N 4.561 125.076 120.570 -0.092 0.000 2.802 842 I HA 0.159 4.329 4.170 -0.000 0.000 0.307 842 I C -2.040 174.095 176.117 0.031 0.000 1.232 842 I CA -2.702 58.588 61.300 -0.016 0.000 1.060 842 I CB -0.739 37.272 38.000 0.018 0.000 1.866 842 I HN 0.365 nan 8.210 nan 0.000 0.568 843 P HA 0.034 nan 4.420 nan 0.000 0.275 843 P C 0.995 178.279 177.300 -0.027 0.000 1.270 843 P CA -0.074 63.026 63.100 0.000 0.000 0.791 843 P CB 1.586 33.297 31.700 0.018 0.000 1.089 844 E N 0.713 120.884 120.200 -0.049 0.000 2.086 844 E HA -0.265 4.085 4.350 -0.000 0.000 0.200 844 E C 1.622 178.224 176.600 0.003 0.000 1.012 844 E CA 1.603 57.992 56.400 -0.018 0.000 0.812 844 E CB -0.161 29.529 29.700 -0.018 0.000 0.743 844 E HN 0.332 nan 8.360 nan 0.000 0.453 845 R N -0.087 120.411 120.500 -0.004 0.000 2.343 845 R HA 0.092 4.431 4.340 -0.000 0.000 0.202 845 R C 1.018 177.332 176.300 0.023 0.000 1.023 845 R CA 0.791 56.901 56.100 0.016 0.000 1.084 845 R CB -0.170 30.140 30.300 0.016 0.000 0.956 845 R HN -0.115 nan 8.270 nan 0.000 0.478 846 S N -1.018 114.694 115.700 0.019 0.000 2.559 846 S HA 0.371 4.840 4.470 -0.000 0.000 0.226 846 S C 0.494 175.248 174.600 0.257 0.000 1.000 846 S CA -0.141 58.061 58.200 0.003 0.000 0.948 846 S CB 1.058 64.177 63.200 -0.134 0.000 0.870 846 S HN 0.627 nan 8.310 nan 0.000 0.497 847 G N 0.821 109.736 108.800 0.191 0.000 2.932 847 G HA2 0.687 4.647 3.960 -0.000 0.000 0.283 847 G HA3 0.687 4.647 3.960 -0.000 0.000 0.283 847 G C -0.411 174.566 174.900 0.128 0.000 1.336 847 G CA -0.593 44.612 45.100 0.175 0.000 1.056 847 G HN 0.359 nan 8.290 nan 0.000 0.522 848 A N -0.834 122.024 122.820 0.064 0.000 2.608 848 A HA 0.449 4.769 4.320 -0.000 0.000 0.239 848 A C 1.222 178.819 177.584 0.020 0.000 1.018 848 A CA 0.978 53.031 52.037 0.026 0.000 0.766 848 A CB -0.511 18.495 19.000 0.010 0.000 0.928 848 A HN 1.503 nan 8.150 nan 0.000 0.512 849 G N 1.125 109.935 108.800 0.017 0.000 2.494 849 G HA2 0.378 4.337 3.960 -0.000 0.000 0.270 849 G HA3 0.378 4.337 3.960 -0.000 0.000 0.270 849 G C 0.985 175.858 174.900 -0.045 0.000 1.423 849 G CA 0.491 45.597 45.100 0.010 0.000 1.055 849 G HN 0.703 nan 8.290 nan 0.000 0.536 850 T N -0.426 114.096 114.554 -0.054 0.000 2.857 850 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 850 T C 1.639 176.232 174.700 -0.178 0.000 1.048 850 T CA 1.420 63.453 62.100 -0.113 0.000 1.139 850 T CB 0.008 68.834 68.868 -0.071 0.000 0.874 850 T HN 0.523 nan 8.240 nan 0.000 0.455 851 E N 0.464 120.614 120.200 -0.083 0.000 2.501 851 E HA 0.105 4.455 4.350 -0.000 0.000 0.200 851 E C -0.379 176.237 176.600 0.027 0.000 1.016 851 E CA -0.254 56.124 56.400 -0.036 0.000 0.921 851 E CB 0.409 30.113 29.700 0.007 0.000 1.034 851 E HN 0.347 nan 8.360 nan 0.000 0.468 852 D N 0.523 120.924 120.400 0.002 0.000 2.383 852 D HA 0.151 4.791 4.640 -0.000 0.000 0.248 852 D C 0.227 176.583 176.300 0.094 0.000 1.170 852 D CA 0.001 54.029 54.000 0.048 0.000 0.977 852 D CB 1.380 42.192 40.800 0.020 0.000 1.120 852 D HN -0.097 nan 8.370 nan 0.000 0.481 853 S N -0.157 115.603 115.700 0.099 0.000 2.617 853 S HA 0.283 4.753 4.470 -0.000 0.000 0.259 853 S C 1.239 175.898 174.600 0.099 0.000 1.301 853 S CA -0.316 57.957 58.200 0.123 0.000 0.984 853 S CB 1.039 64.290 63.200 0.084 0.000 0.954 853 S HN 0.539 nan 8.310 nan 0.000 0.572 854 A N -0.563 122.319 122.820 0.104 0.000 1.930 854 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 854 A C 0.897 178.511 177.584 0.050 0.000 1.175 854 A CA 0.709 52.792 52.037 0.077 0.000 0.627 854 A CB -0.749 18.300 19.000 0.081 0.000 0.815 854 A HN 0.749 nan 8.150 nan 0.000 0.443 855 c N -0.001 118.631 118.600 0.053 0.000 2.411 855 c HA 0.735 5.305 4.570 -0.000 0.000 0.330 855 c C -0.016 174.030 174.090 -0.072 0.000 1.224 855 c CA -0.841 55.486 56.329 -0.004 0.000 1.770 855 c CB 0.364 42.897 42.510 0.038 0.000 2.297 855 c HN 0.562 nan 8.230 nan 0.000 0.507 856 I N 1.209 121.641 120.570 -0.230 0.000 2.730 856 I HA 0.766 4.936 4.170 -0.000 0.000 0.298 856 I C -2.954 172.777 176.117 -0.644 0.000 1.089 856 I CA -2.199 58.878 61.300 -0.372 0.000 1.041 856 I CB 2.624 40.395 38.000 -0.381 0.000 1.235 856 I HN 0.354 nan 8.210 nan 0.000 0.423 857 P HA 0.470 nan 4.420 nan 0.000 0.289 857 P C -1.998 174.767 177.300 -0.893 0.000 1.293 857 P CA -0.404 62.256 63.100 -0.734 0.000 0.897 857 P CB 1.268 32.631 31.700 -0.562 0.000 1.166 858 W N 0.040 121.091 121.300 -0.416 0.000 3.032 858 W HA 0.626 5.286 4.660 -0.000 0.000 0.335 858 W C -0.559 175.580 176.519 -0.633 0.000 1.154 858 W CA -0.784 56.222 57.345 -0.565 0.000 1.204 858 W CB 1.996 31.269 29.460 -0.311 0.000 1.416 858 W HN 0.335 nan 8.180 nan 0.000 0.521 859 A N 2.260 124.649 122.820 -0.718 0.000 2.331 859 A HA 0.689 5.008 4.320 -0.000 0.000 0.283 859 A C -1.324 176.240 177.584 -0.033 0.000 1.142 859 A CA -0.405 51.355 52.037 -0.462 0.000 0.812 859 A CB -0.008 18.634 19.000 -0.597 0.000 1.074 859 A HN 0.627 nan 8.150 nan 0.000 0.497 860 Y N 0.640 120.920 120.300 -0.032 0.000 2.387 860 Y HA 0.749 5.299 4.550 -0.000 0.000 0.336 860 Y C -0.479 175.522 175.900 0.168 0.000 1.067 860 Y CA -1.357 56.718 58.100 -0.042 0.000 1.114 860 Y CB 0.661 39.018 38.460 -0.172 0.000 1.208 860 Y HN 0.796 nan 8.280 nan 0.000 0.458 861 Y N -0.486 119.910 120.300 0.160 0.000 2.896 861 Y HA 0.755 5.304 4.550 -0.000 0.000 0.317 861 Y C -1.105 174.931 175.900 0.226 0.000 1.444 861 Y CA -1.844 56.366 58.100 0.182 0.000 1.084 861 Y CB 0.885 39.378 38.460 0.055 0.000 1.382 861 Y HN 0.674 nan 8.280 nan 0.000 0.471 862 S N -0.359 115.484 115.700 0.238 0.000 2.475 862 S HA 0.420 4.890 4.470 -0.000 0.000 0.298 862 S C 0.453 175.175 174.600 0.202 0.000 1.119 862 S CA 0.073 58.353 58.200 0.134 0.000 1.085 862 S CB 0.771 64.094 63.200 0.206 0.000 1.028 862 S HN 0.991 nan 8.310 nan 0.000 0.489 863 T N 1.867 116.471 114.554 0.084 0.000 3.065 863 T HA 0.058 4.408 4.350 -0.000 0.000 0.252 863 T C 1.737 176.541 174.700 0.173 0.000 1.099 863 T CA 0.520 62.713 62.100 0.154 0.000 1.063 863 T CB -0.283 68.607 68.868 0.037 0.000 0.948 863 T HN 0.376 nan 8.240 nan 0.000 0.506 864 V N 1.912 121.929 119.914 0.172 0.000 2.282 864 V HA -0.092 4.028 4.120 -0.000 0.000 0.249 864 V C 1.089 177.310 176.094 0.211 0.000 1.057 864 V CA 2.067 64.459 62.300 0.153 0.000 1.032 864 V CB -0.359 31.515 31.823 0.085 0.000 0.645 864 V HN 0.648 nan 8.190 nan 0.000 0.447 865 D N -1.672 118.904 120.400 0.292 0.000 2.330 865 D HA 0.169 4.808 4.640 -0.000 0.000 0.249 865 D C 0.992 177.445 176.300 0.255 0.000 1.306 865 D CA -0.277 53.924 54.000 0.336 0.000 0.956 865 D CB 1.163 42.303 40.800 0.567 0.000 1.261 865 D HN 0.207 nan 8.370 nan 0.000 0.544 866 Q N 0.715 120.609 119.800 0.157 0.000 2.224 866 Q HA -0.193 4.147 4.340 -0.000 0.000 0.213 866 Q C 1.520 177.482 176.000 -0.063 0.000 0.998 866 Q CA 1.886 57.690 55.803 0.002 0.000 0.895 866 Q CB 0.484 29.033 28.738 -0.315 0.000 0.926 866 Q HN 0.434 nan 8.270 nan 0.000 0.417 867 V N 0.187 120.094 119.914 -0.011 0.000 2.398 867 V HA -0.157 3.963 4.120 -0.000 0.000 0.236 867 V C 1.949 178.034 176.094 -0.015 0.000 1.054 867 V CA 1.364 63.628 62.300 -0.060 0.000 1.060 867 V CB -0.437 31.397 31.823 0.018 0.000 0.707 867 V HN 0.223 nan 8.190 nan 0.000 0.480 868 K N 0.493 120.893 120.400 -0.000 0.000 2.103 868 K HA -0.223 4.096 4.320 -0.000 0.000 0.207 868 K C 1.783 178.463 176.600 0.134 0.000 1.048 868 K CA 1.845 58.029 56.287 -0.172 0.000 0.930 868 K CB -0.388 31.563 32.500 -0.915 0.000 0.716 868 K HN 0.417 nan 8.250 nan 0.000 0.444 869 D N 1.235 121.884 120.400 0.414 0.000 2.149 869 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 869 D C 1.797 178.205 176.300 0.181 0.000 0.990 869 D CA 0.699 54.976 54.000 0.462 0.000 0.839 869 D CB -0.132 40.926 40.800 0.431 0.000 0.948 869 D HN 0.109 nan 8.370 nan 0.000 0.460 870 L N -0.376 120.867 121.223 0.034 0.000 1.961 870 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 870 L C 2.153 178.981 176.870 -0.069 0.000 1.075 870 L CA 1.329 56.092 54.840 -0.129 0.000 0.749 870 L CB -0.412 41.400 42.059 -0.413 0.000 0.890 870 L HN 0.046 nan 8.230 nan 0.000 0.433 871 Y N 0.177 120.453 120.300 -0.039 0.000 2.365 871 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 871 Y C 2.871 178.900 175.900 0.215 0.000 1.162 871 Y CA 1.240 59.350 58.100 0.018 0.000 1.260 871 Y CB -0.827 37.594 38.460 -0.066 0.000 0.976 871 Y HN 0.224 nan 8.280 nan 0.000 0.548 872 S N -1.514 114.371 115.700 0.308 0.000 2.481 872 S HA 0.115 4.585 4.470 -0.000 0.000 0.231 872 S C 1.996 176.723 174.600 0.211 0.000 0.996 872 S CA 1.028 59.433 58.200 0.343 0.000 0.942 872 S CB -0.252 63.242 63.200 0.490 0.000 0.768 872 S HN 0.735 nan 8.310 nan 0.000 0.520 873 G N 0.427 109.330 108.800 0.172 0.000 2.705 873 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.193 873 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.193 873 G C 0.002 174.822 174.900 -0.134 0.000 1.015 873 G CA -0.675 44.415 45.100 -0.017 0.000 0.743 873 G HN 0.357 nan 8.290 nan 0.000 0.476 874 L N 1.927 123.018 121.223 -0.218 0.000 2.617 874 L HA 0.602 4.942 4.340 -0.000 0.000 0.282 874 L C 0.327 177.102 176.870 -0.159 0.000 1.174 874 L CA 0.388 54.965 54.840 -0.439 0.000 1.016 874 L CB 0.077 41.773 42.059 -0.604 0.000 1.337 874 L HN 0.404 nan 8.230 nan 0.000 0.460 875 I N 1.517 122.050 120.570 -0.062 0.000 2.908 875 I HA 0.826 4.996 4.170 -0.000 0.000 0.300 875 I C -0.504 175.495 176.117 -0.197 0.000 1.385 875 I CA -0.291 60.982 61.300 -0.045 0.000 1.004 875 I CB 2.345 40.295 38.000 -0.082 0.000 1.309 875 I HN 0.471 nan 8.210 nan 0.000 0.449 876 G N 4.556 112.989 108.800 -0.612 0.000 2.523 876 G HA2 0.645 4.605 3.960 -0.000 0.000 0.291 876 G HA3 0.645 4.605 3.960 -0.000 0.000 0.291 876 G C -3.536 170.848 174.900 -0.860 0.000 1.450 876 G CA -0.878 43.701 45.100 -0.869 0.000 0.790 876 G HN 0.321 nan 8.290 nan 0.000 0.496 877 P HA 0.575 nan 4.420 nan 0.000 0.304 877 P C -1.126 176.243 177.300 0.115 0.000 1.365 877 P CA -0.732 62.293 63.100 -0.126 0.000 0.935 877 P CB 2.091 33.729 31.700 -0.103 0.000 1.091 878 L N 4.391 125.654 121.223 0.066 0.000 2.298 878 L HA 0.515 4.854 4.340 -0.000 0.000 0.284 878 L C -1.129 175.645 176.870 -0.160 0.000 1.013 878 L CA -0.457 54.403 54.840 0.033 0.000 0.824 878 L CB 0.487 42.630 42.059 0.139 0.000 1.221 878 L HN 0.176 nan 8.230 nan 0.000 0.418 879 I N 6.378 126.736 120.570 -0.353 0.000 2.336 879 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 879 I C -0.358 175.570 176.117 -0.316 0.000 0.991 879 I CA -0.622 60.334 61.300 -0.572 0.000 1.227 879 I CB 1.460 38.847 38.000 -1.022 0.000 1.366 879 I HN 0.278 nan 8.210 nan 0.000 0.466 880 V N 5.922 125.731 119.914 -0.175 0.000 2.325 880 V HA 0.287 4.407 4.120 -0.000 0.000 0.280 880 V C 0.056 176.147 176.094 -0.006 0.000 1.016 880 V CA -0.451 61.851 62.300 0.003 0.000 0.818 880 V CB 1.433 33.367 31.823 0.185 0.000 1.019 880 V HN 0.840 nan 8.190 nan 0.000 0.434 881 c N 4.416 123.033 118.600 0.028 0.000 2.398 881 c HA 0.401 4.971 4.570 -0.000 0.000 0.364 881 c C 1.928 176.052 174.090 0.057 0.000 1.219 881 c CA -0.454 55.906 56.329 0.051 0.000 2.312 881 c CB 1.294 43.862 42.510 0.097 0.000 2.428 881 c HN 1.002 nan 8.230 nan 0.000 0.564 882 R N 0.916 121.446 120.500 0.050 0.000 2.055 882 R HA 0.034 4.373 4.340 -0.000 0.000 0.221 882 R C 0.687 177.013 176.300 0.043 0.000 1.154 882 R CA 0.812 56.938 56.100 0.044 0.000 0.975 882 R CB -0.016 30.305 30.300 0.035 0.000 0.869 882 R HN 0.849 nan 8.270 nan 0.000 0.437 883 R N 1.467 121.993 120.500 0.044 0.000 2.541 883 R HA 0.445 4.785 4.340 -0.000 0.000 0.263 883 R C -1.984 174.338 176.300 0.038 0.000 1.112 883 R CA -1.612 54.512 56.100 0.039 0.000 1.170 883 R CB -1.790 28.533 30.300 0.039 0.000 1.167 883 R HN 0.032 nan 8.270 nan 0.000 0.582 893 R N 0.904 121.373 120.500 -0.052 0.000 2.519 893 R HA 0.675 5.014 4.340 -0.000 0.000 0.244 893 R C -0.123 176.131 176.300 -0.076 0.000 1.241 893 R CA -0.605 55.456 56.100 -0.066 0.000 1.120 893 R CB 0.479 30.727 30.300 -0.086 0.000 1.333 893 R HN 0.688 nan 8.270 nan 0.000 0.587 894 K N 0.835 121.170 120.400 -0.108 0.000 2.413 894 K HA 0.343 4.663 4.320 -0.000 0.000 0.257 894 K C -1.390 175.074 176.600 -0.226 0.000 0.946 894 K CA -0.597 55.600 56.287 -0.150 0.000 0.823 894 K CB 0.851 33.280 32.500 -0.118 0.000 1.109 894 K HN 0.153 nan 8.250 nan 0.000 0.427 895 L N 2.669 123.692 121.223 -0.334 0.000 2.322 895 L HA 0.505 4.845 4.340 -0.000 0.000 0.269 895 L C -0.492 175.956 176.870 -0.704 0.000 1.012 895 L CA -0.437 54.082 54.840 -0.535 0.000 0.815 895 L CB 1.659 43.354 42.059 -0.607 0.000 1.295 895 L HN 0.710 nan 8.230 nan 0.000 0.438 896 E N 1.436 121.102 120.200 -0.890 0.000 2.263 896 E HA 0.521 4.871 4.350 -0.000 0.000 0.268 896 E C -1.705 174.282 176.600 -1.022 0.000 0.884 896 E CA -0.356 55.575 56.400 -0.781 0.000 0.766 896 E CB 1.973 31.526 29.700 -0.245 0.000 1.196 896 E HN 0.193 nan 8.360 nan 0.000 0.416 897 F N 1.058 120.685 119.950 -0.538 0.000 2.551 897 F HA 0.623 5.150 4.527 -0.000 0.000 0.316 897 F C -0.040 175.812 175.800 0.087 0.000 1.089 897 F CA -0.917 56.864 58.000 -0.364 0.000 0.915 897 F CB 1.971 40.528 39.000 -0.738 0.000 1.186 897 F HN 0.410 nan 8.300 nan 0.000 0.456 898 A N 4.269 127.465 122.820 0.626 0.000 2.304 898 A HA 0.848 5.168 4.320 -0.000 0.000 0.314 898 A C -1.306 176.477 177.584 0.332 0.000 1.187 898 A CA -0.537 51.747 52.037 0.412 0.000 0.810 898 A CB 0.571 19.740 19.000 0.281 0.000 1.183 898 A HN 0.775 nan 8.150 nan 0.000 0.487 899 L N 3.374 124.770 121.223 0.287 0.000 2.356 899 L HA 0.500 4.840 4.340 -0.000 0.000 0.277 899 L C -0.680 176.250 176.870 0.100 0.000 0.996 899 L CA -0.536 54.399 54.840 0.158 0.000 0.822 899 L CB 1.892 44.087 42.059 0.227 0.000 1.256 899 L HN 0.635 nan 8.230 nan 0.000 0.413 900 L N 4.025 125.222 121.223 -0.044 0.000 2.318 900 L HA 0.489 4.829 4.340 -0.000 0.000 0.277 900 L C -1.320 175.479 176.870 -0.119 0.000 1.008 900 L CA -0.357 54.480 54.840 -0.005 0.000 0.846 900 L CB 0.993 43.042 42.059 -0.016 0.000 1.220 900 L HN 0.418 nan 8.230 nan 0.000 0.423 901 F N 6.348 126.201 119.950 -0.160 0.000 2.413 901 F HA 0.454 4.981 4.527 -0.000 0.000 0.359 901 F C 0.225 175.813 175.800 -0.353 0.000 1.122 901 F CA -0.269 57.523 58.000 -0.347 0.000 1.160 901 F CB 0.864 39.533 39.000 -0.552 0.000 1.146 901 F HN 0.307 nan 8.300 nan 0.000 0.514 902 L N 4.315 125.444 121.223 -0.155 0.000 2.526 902 L HA 0.456 4.796 4.340 -0.000 0.000 0.263 902 L C -1.488 175.309 176.870 -0.122 0.000 0.943 902 L CA -0.785 53.980 54.840 -0.125 0.000 0.859 902 L CB 2.206 44.097 42.059 -0.280 0.000 1.313 902 L HN 0.150 nan 8.230 nan 0.000 0.406 903 V N 5.147 124.972 119.914 -0.148 0.000 2.313 903 V HA 0.147 4.267 4.120 -0.000 0.000 0.252 903 V C 0.091 176.063 176.094 -0.204 0.000 1.112 903 V CA -0.166 61.961 62.300 -0.289 0.000 0.984 903 V CB -0.107 31.378 31.823 -0.563 0.000 1.157 903 V HN 0.444 nan 8.190 nan 0.000 0.493 904 F N 3.015 122.889 119.950 -0.126 0.000 2.546 904 F HA 0.029 4.556 4.527 -0.000 0.000 0.388 904 F C 1.199 176.816 175.800 -0.305 0.000 1.051 904 F CA 0.327 58.305 58.000 -0.037 0.000 1.130 904 F CB 0.161 39.200 39.000 0.065 0.000 1.044 904 F HN 0.444 nan 8.300 nan 0.000 0.553 905 D N 4.090 124.140 120.400 -0.583 0.000 2.551 905 D HA -0.029 4.611 4.640 -0.000 0.000 0.223 905 D C 1.272 177.310 176.300 -0.436 0.000 1.144 905 D CA 0.068 53.650 54.000 -0.697 0.000 1.025 905 D CB 0.052 40.153 40.800 -1.165 0.000 1.085 905 D HN 0.510 nan 8.370 nan 0.000 0.506 906 E N 1.582 121.616 120.200 -0.277 0.000 2.492 906 E HA -0.142 4.208 4.350 -0.000 0.000 0.204 906 E C 1.061 177.573 176.600 -0.146 0.000 1.073 906 E CA 0.665 56.918 56.400 -0.245 0.000 0.887 906 E CB -0.031 29.298 29.700 -0.618 0.000 0.813 906 E HN 0.390 nan 8.360 nan 0.000 0.562 907 N N 0.038 118.645 118.700 -0.156 0.000 2.446 907 N HA -0.062 4.678 4.740 -0.000 0.000 0.179 907 N C 0.625 176.098 175.510 -0.063 0.000 1.054 907 N CA 0.499 53.518 53.050 -0.052 0.000 0.905 907 N CB 0.309 38.770 38.487 -0.043 0.000 0.973 907 N HN 0.235 nan 8.380 nan 0.000 0.448 908 E N 0.359 120.480 120.200 -0.133 0.000 2.474 908 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 908 E C 0.247 176.759 176.600 -0.147 0.000 1.039 908 E CA -0.115 56.203 56.400 -0.136 0.000 0.881 908 E CB 0.410 30.049 29.700 -0.101 0.000 0.970 908 E HN 0.016 nan 8.360 nan 0.000 0.486 909 S N -0.417 115.267 115.700 -0.027 0.000 2.566 909 S HA -0.046 4.424 4.470 -0.000 0.000 0.280 909 S C 0.590 175.163 174.600 -0.046 0.000 1.343 909 S CA -0.257 57.987 58.200 0.073 0.000 1.036 909 S CB 0.414 63.762 63.200 0.245 0.000 0.866 909 S HN 0.271 nan 8.310 nan 0.000 0.526 910 W N 2.189 123.509 121.300 0.034 0.000 2.595 910 W HA 0.095 4.755 4.660 -0.000 0.000 0.257 910 W C 0.726 177.097 176.519 -0.247 0.000 1.267 910 W CA -0.097 57.140 57.345 -0.181 0.000 1.300 910 W CB -0.131 29.083 29.460 -0.409 0.000 1.120 910 W HN 0.792 nan 8.180 nan 0.000 0.618 911 Y N -0.501 120.003 120.300 0.341 0.000 2.468 911 Y HA 0.070 4.620 4.550 -0.000 0.000 0.268 911 Y C 1.916 177.965 175.900 0.248 0.000 1.177 911 Y CA -0.356 57.914 58.100 0.283 0.000 1.265 911 Y CB -0.776 37.852 38.460 0.280 0.000 1.103 911 Y HN -0.160 nan 8.280 nan 0.000 0.522 912 L N 0.740 122.147 121.223 0.306 0.000 2.013 912 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 912 L C 1.834 178.871 176.870 0.278 0.000 1.073 912 L CA 1.939 56.952 54.840 0.288 0.000 0.753 912 L CB -0.657 41.530 42.059 0.213 0.000 0.890 912 L HN 0.221 nan 8.230 nan 0.000 0.432 913 D N -0.577 119.956 120.400 0.221 0.000 2.182 913 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 913 D C 1.594 178.004 176.300 0.183 0.000 0.986 913 D CA 1.686 55.797 54.000 0.185 0.000 0.847 913 D CB 0.081 40.967 40.800 0.143 0.000 0.942 913 D HN 0.541 nan 8.370 nan 0.000 0.467 914 D N 0.305 120.833 120.400 0.214 0.000 2.103 914 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 914 D C 1.823 178.196 176.300 0.121 0.000 0.978 914 D CA 0.566 54.664 54.000 0.164 0.000 0.829 914 D CB -0.153 40.774 40.800 0.212 0.000 0.981 914 D HN 0.045 nan 8.370 nan 0.000 0.464 915 N N 0.611 119.451 118.700 0.233 0.000 2.061 915 N HA -0.158 4.582 4.740 -0.000 0.000 0.193 915 N C 1.958 177.618 175.510 0.250 0.000 1.030 915 N CA 0.755 53.976 53.050 0.285 0.000 0.856 915 N CB -0.356 38.470 38.487 0.565 0.000 1.023 915 N HN 0.280 nan 8.380 nan 0.000 0.424 916 I N 0.946 121.690 120.570 0.291 0.000 2.127 916 I HA -0.257 3.913 4.170 -0.000 0.000 0.241 916 I C 1.927 178.149 176.117 0.175 0.000 1.075 916 I CA 1.305 62.780 61.300 0.291 0.000 1.334 916 I CB -0.102 38.069 38.000 0.285 0.000 1.040 916 I HN -0.001 nan 8.210 nan 0.000 0.405 917 K N 0.324 120.789 120.400 0.108 0.000 2.147 917 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 917 K C 2.013 178.604 176.600 -0.014 0.000 1.049 917 K CA 1.361 57.680 56.287 0.053 0.000 0.936 917 K CB -0.723 31.803 32.500 0.044 0.000 0.722 917 K HN 0.293 nan 8.250 nan 0.000 0.446 918 T N -0.373 114.111 114.554 -0.117 0.000 2.770 918 T HA -0.036 4.314 4.350 -0.000 0.000 0.258 918 T C 1.298 175.801 174.700 -0.329 0.000 1.039 918 T CA 1.258 63.158 62.100 -0.333 0.000 1.143 918 T CB -0.245 68.218 68.868 -0.674 0.000 0.866 918 T HN 0.076 nan 8.240 nan 0.000 0.428 919 Y N 1.158 121.510 120.300 0.087 0.000 2.396 919 Y HA 0.406 4.955 4.550 -0.000 0.000 0.292 919 Y C 1.753 177.708 175.900 0.091 0.000 1.128 919 Y CA -0.775 57.362 58.100 0.062 0.000 1.194 919 Y CB -0.767 37.699 38.460 0.010 0.000 1.124 919 Y HN 0.051 nan 8.280 nan 0.000 0.543 920 S N 1.420 117.293 115.700 0.287 0.000 2.563 920 S HA -0.098 4.372 4.470 -0.000 0.000 0.294 920 S C 1.115 175.827 174.600 0.187 0.000 1.279 920 S CA -0.343 58.032 58.200 0.293 0.000 1.069 920 S CB 0.204 63.623 63.200 0.365 0.000 0.828 920 S HN 0.283 nan 8.310 nan 0.000 0.497 921 D N 2.014 122.513 120.400 0.165 0.000 2.144 921 D HA -0.047 4.593 4.640 -0.000 0.000 0.199 921 D C 0.250 176.433 176.300 -0.195 0.000 0.984 921 D CA 1.346 55.341 54.000 -0.008 0.000 0.834 921 D CB -0.005 40.804 40.800 0.015 0.000 0.955 921 D HN 0.671 nan 8.370 nan 0.000 0.465 922 H N -0.839 118.341 119.070 0.182 0.000 2.607 922 H HA 0.145 4.700 4.556 -0.000 0.000 0.248 922 H C -1.641 173.745 175.328 0.097 0.000 1.355 922 H CA -1.194 54.927 56.048 0.121 0.000 1.524 922 H CB 1.957 31.782 29.762 0.105 0.000 1.563 922 H HN 0.041 nan 8.280 nan 0.000 0.509 923 P HA -0.207 nan 4.420 nan 0.000 0.216 923 P C 1.592 178.910 177.300 0.029 0.000 1.153 923 P CA 1.932 65.103 63.100 0.118 0.000 0.858 923 P CB 0.256 32.014 31.700 0.096 0.000 0.789 924 E N 0.658 120.874 120.200 0.026 0.000 2.171 924 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 924 E C 2.040 178.567 176.600 -0.122 0.000 0.997 924 E CA 2.334 58.717 56.400 -0.029 0.000 0.810 924 E CB -1.671 28.029 29.700 0.000 0.000 0.738 924 E HN 0.499 nan 8.360 nan 0.000 0.467 925 K N 0.162 120.447 120.400 -0.193 0.000 2.476 925 K HA 0.503 4.823 4.320 -0.000 0.000 0.196 925 K C 0.588 176.698 176.600 -0.817 0.000 1.025 925 K CA 0.519 56.531 56.287 -0.458 0.000 1.138 925 K CB -0.503 31.696 32.500 -0.501 0.000 0.860 925 K HN 0.323 nan 8.250 nan 0.000 0.515 926 V N 2.089 121.714 119.914 -0.481 0.000 2.394 926 V HA 0.321 4.441 4.120 -0.000 0.000 0.282 926 V C -0.686 175.179 176.094 -0.383 0.000 1.031 926 V CA -1.131 60.894 62.300 -0.457 0.000 0.881 926 V CB 1.307 32.993 31.823 -0.228 0.000 0.982 926 V HN 0.610 nan 8.190 nan 0.000 0.451 927 N N 3.736 122.211 118.700 -0.375 0.000 2.511 927 N HA 0.280 5.020 4.740 -0.000 0.000 0.249 927 N C 0.753 176.068 175.510 -0.325 0.000 0.971 927 N CA -0.516 52.384 53.050 -0.251 0.000 0.938 927 N CB 1.115 39.532 38.487 -0.117 0.000 1.131 927 N HN 0.524 nan 8.380 nan 0.000 0.505 928 K N 1.220 121.437 120.400 -0.305 0.000 2.442 928 K HA -0.106 4.213 4.320 -0.000 0.000 0.200 928 K C -0.115 176.496 176.600 0.017 0.000 1.045 928 K CA 1.045 57.224 56.287 -0.180 0.000 0.937 928 K CB 0.242 32.721 32.500 -0.036 0.000 0.757 928 K HN 0.628 nan 8.250 nan 0.000 0.474 929 D N 0.690 121.093 120.400 0.006 0.000 2.379 929 D HA -0.059 4.580 4.640 -0.000 0.000 0.208 929 D C -0.083 176.271 176.300 0.090 0.000 1.065 929 D CA 0.175 54.209 54.000 0.056 0.000 0.848 929 D CB 0.171 40.992 40.800 0.034 0.000 0.949 929 D HN 0.134 nan 8.370 nan 0.000 0.509 930 D N 1.468 121.932 120.400 0.106 0.000 2.349 930 D HA 0.054 4.694 4.640 -0.000 0.000 0.266 930 D C 1.460 177.882 176.300 0.203 0.000 1.293 930 D CA 0.361 54.458 54.000 0.163 0.000 0.926 930 D CB 0.703 41.633 40.800 0.217 0.000 1.090 930 D HN 0.177 nan 8.370 nan 0.000 0.502 931 E N 3.629 123.916 120.200 0.145 0.000 2.197 931 E HA -0.334 4.016 4.350 -0.000 0.000 0.205 931 E C 1.632 178.301 176.600 0.115 0.000 1.029 931 E CA 2.068 58.540 56.400 0.120 0.000 0.828 931 E CB -0.792 28.964 29.700 0.093 0.000 0.737 931 E HN 0.823 nan 8.360 nan 0.000 0.464 932 E N -1.770 118.516 120.200 0.143 0.000 2.072 932 E HA -0.049 4.300 4.350 -0.000 0.000 0.191 932 E C 1.950 178.535 176.600 -0.025 0.000 0.985 932 E CA 0.973 57.433 56.400 0.099 0.000 0.801 932 E CB -0.222 29.602 29.700 0.207 0.000 0.750 932 E HN 0.649 nan 8.360 nan 0.000 0.452 933 F N 1.392 121.290 119.950 -0.085 0.000 2.075 933 F HA -0.241 4.285 4.527 -0.000 0.000 0.297 933 F C 2.026 177.742 175.800 -0.139 0.000 1.113 933 F CA 1.116 58.981 58.000 -0.225 0.000 1.218 933 F CB -0.129 38.915 39.000 0.073 0.000 0.984 933 F HN -0.031 nan 8.300 nan 0.000 0.472 934 I N 0.699 121.373 120.570 0.172 0.000 2.113 934 I HA -0.343 3.827 4.170 -0.000 0.000 0.242 934 I C 2.455 178.542 176.117 -0.049 0.000 1.057 934 I CA 1.738 63.082 61.300 0.074 0.000 1.314 934 I CB -1.529 36.529 38.000 0.097 0.000 1.022 934 I HN 0.295 nan 8.210 nan 0.000 0.408 935 E N 0.683 120.867 120.200 -0.028 0.000 2.153 935 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 935 E C 2.241 178.839 176.600 -0.004 0.000 0.988 935 E CA 1.504 57.919 56.400 0.024 0.000 0.811 935 E CB -0.045 29.673 29.700 0.030 0.000 0.746 935 E HN 0.582 nan 8.360 nan 0.000 0.466 936 S N 0.760 116.305 115.700 -0.258 0.000 2.500 936 S HA -0.083 4.387 4.470 -0.000 0.000 0.239 936 S C 1.209 175.740 174.600 -0.115 0.000 0.989 936 S CA 0.788 58.789 58.200 -0.331 0.000 0.951 936 S CB -0.064 62.636 63.200 -0.834 0.000 0.759 936 S HN 0.128 nan 8.310 nan 0.000 0.523 937 N N 0.770 119.388 118.700 -0.137 0.000 2.205 937 N HA 0.144 4.884 4.740 -0.000 0.000 0.201 937 N C -0.659 174.776 175.510 -0.126 0.000 1.128 937 N CA 0.059 53.031 53.050 -0.130 0.000 0.867 937 N CB 0.349 38.701 38.487 -0.225 0.000 0.996 937 N HN 0.340 nan 8.380 nan 0.000 0.503 938 K N 1.596 122.013 120.400 0.028 0.000 2.142 938 K HA 0.211 4.531 4.320 -0.000 0.000 0.250 938 K C 0.111 176.613 176.600 -0.162 0.000 1.148 938 K CA -0.112 56.127 56.287 -0.079 0.000 1.040 938 K CB 0.081 32.619 32.500 0.064 0.000 1.569 938 K HN -0.048 nan 8.250 nan 0.000 0.361 939 M N 3.512 122.925 119.600 -0.312 0.000 2.538 939 M HA 0.041 4.521 4.480 -0.000 0.000 0.327 939 M C -0.251 175.878 176.300 -0.285 0.000 1.545 939 M CA -0.323 54.715 55.300 -0.437 0.000 1.380 939 M CB -1.064 30.980 32.600 -0.927 0.000 1.657 939 M HN 0.203 nan 8.290 nan 0.000 0.459 940 H N 1.916 120.662 119.070 -0.541 0.000 3.067 940 H HA 0.570 5.126 4.556 -0.000 0.000 0.265 940 H C 0.121 175.271 175.328 -0.296 0.000 1.234 940 H CA -0.294 55.521 56.048 -0.388 0.000 1.452 940 H CB -0.105 29.394 29.762 -0.438 0.000 1.527 940 H HN 0.720 nan 8.280 nan 0.000 0.486 941 A N 3.455 126.244 122.820 -0.051 0.000 2.387 941 A HA 0.689 5.009 4.320 -0.000 0.000 0.303 941 A C -0.522 177.001 177.584 -0.103 0.000 1.145 941 A CA -0.816 51.205 52.037 -0.028 0.000 0.801 941 A CB 1.374 20.478 19.000 0.173 0.000 1.342 941 A HN 0.556 nan 8.150 nan 0.000 0.440 942 I N 1.385 121.845 120.570 -0.183 0.000 2.354 942 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 942 I C -0.125 175.882 176.117 -0.183 0.000 0.989 942 I CA -0.547 60.530 61.300 -0.373 0.000 1.188 942 I CB 1.268 38.977 38.000 -0.485 0.000 1.342 942 I HN 0.764 nan 8.210 nan 0.000 0.457 943 N N 4.812 123.413 118.700 -0.164 0.000 2.686 943 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 943 N C 0.903 176.418 175.510 0.010 0.000 1.082 943 N CA 1.467 54.481 53.050 -0.059 0.000 0.725 943 N CB -0.824 37.626 38.487 -0.061 0.000 1.009 943 N HN 1.130 nan 8.380 nan 0.000 0.545 944 G N -1.455 107.376 108.800 0.052 0.000 2.176 944 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.232 944 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.232 944 G C -0.140 174.926 174.900 0.277 0.000 0.986 944 G CA 0.285 45.417 45.100 0.053 0.000 0.643 944 G HN 0.803 nan 8.290 nan 0.000 0.522 945 R N -0.722 119.875 120.500 0.161 0.000 2.604 945 R HA 0.754 5.094 4.340 -0.000 0.000 0.281 945 R C -0.254 176.042 176.300 -0.006 0.000 1.020 945 R CA -1.125 55.037 56.100 0.104 0.000 0.899 945 R CB 1.056 31.348 30.300 -0.013 0.000 1.205 945 R HN 0.297 nan 8.270 nan 0.000 0.450 946 M N 1.113 120.708 119.600 -0.008 0.000 2.654 946 M HA 0.572 5.052 4.480 -0.000 0.000 0.310 946 M C -0.894 175.359 176.300 -0.079 0.000 1.211 946 M CA -0.737 54.462 55.300 -0.168 0.000 0.947 946 M CB 0.760 33.173 32.600 -0.311 0.000 1.647 946 M HN 0.508 nan 8.290 nan 0.000 0.481 947 F N 1.679 121.566 119.950 -0.105 0.000 2.695 947 F HA -0.065 4.462 4.527 -0.000 0.000 0.305 947 F C 1.228 176.773 175.800 -0.426 0.000 1.044 947 F CA 1.492 59.420 58.000 -0.120 0.000 1.049 947 F CB -2.160 36.900 39.000 0.100 0.000 1.267 947 F HN 1.061 nan 8.300 nan 0.000 0.828 948 G N -0.024 108.322 108.800 -0.757 0.000 2.270 948 G HA2 -0.457 3.502 3.960 -0.000 0.000 0.268 948 G HA3 -0.457 3.502 3.960 -0.000 0.000 0.268 948 G C 1.232 175.845 174.900 -0.478 0.000 0.982 948 G CA 0.554 44.974 45.100 -1.133 0.000 0.628 948 G HN 0.575 nan 8.290 nan 0.000 0.544 949 N N 0.044 118.606 118.700 -0.230 0.000 2.635 949 N HA -0.008 4.732 4.740 -0.000 0.000 0.191 949 N C 0.648 176.084 175.510 -0.123 0.000 1.155 949 N CA 0.406 53.379 53.050 -0.129 0.000 0.927 949 N CB 0.014 38.458 38.487 -0.072 0.000 0.976 949 N HN 0.413 nan 8.380 nan 0.000 0.448 950 L N 3.058 124.196 121.223 -0.142 0.000 2.328 950 L HA 0.111 4.451 4.340 -0.000 0.000 0.280 950 L C 0.125 176.964 176.870 -0.052 0.000 1.111 950 L CA 0.004 54.794 54.840 -0.084 0.000 0.909 950 L CB 0.203 42.209 42.059 -0.090 0.000 1.277 950 L HN 0.039 nan 8.230 nan 0.000 0.433 951 Q N 2.378 122.163 119.800 -0.025 0.000 2.407 951 Q HA 0.320 4.660 4.340 -0.000 0.000 0.214 951 Q C 1.044 177.079 176.000 0.058 0.000 1.043 951 Q CA 0.379 56.185 55.803 0.006 0.000 0.983 951 Q CB 0.723 29.465 28.738 0.008 0.000 1.211 951 Q HN 0.797 nan 8.270 nan 0.000 0.564 952 G N -0.466 108.374 108.800 0.067 0.000 2.194 952 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.236 952 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.236 952 G C -0.008 174.931 174.900 0.066 0.000 0.987 952 G CA -0.084 45.086 45.100 0.117 0.000 0.635 952 G HN 0.389 nan 8.290 nan 0.000 0.520 953 L N 2.474 123.672 121.223 -0.042 0.000 2.375 953 L HA 0.536 4.876 4.340 -0.000 0.000 0.276 953 L C 0.569 177.364 176.870 -0.124 0.000 1.162 953 L CA 0.373 55.024 54.840 -0.314 0.000 0.991 953 L CB 0.857 42.759 42.059 -0.261 0.000 1.315 953 L HN 0.231 nan 8.230 nan 0.000 0.431 954 T N 4.286 118.834 114.554 -0.009 0.000 2.841 954 T HA 0.703 5.052 4.350 -0.000 0.000 0.285 954 T C -0.306 174.484 174.700 0.149 0.000 0.991 954 T CA -0.661 61.484 62.100 0.076 0.000 0.966 954 T CB 1.032 69.937 68.868 0.060 0.000 0.962 954 T HN 0.479 nan 8.240 nan 0.000 0.438 955 M N 2.885 122.554 119.600 0.116 0.000 2.791 955 M HA 0.702 5.182 4.480 -0.000 0.000 0.286 955 M C -1.439 174.889 176.300 0.047 0.000 1.238 955 M CA -0.894 54.494 55.300 0.148 0.000 0.762 955 M CB 1.670 34.347 32.600 0.128 0.000 1.758 955 M HN 0.603 nan 8.290 nan 0.000 0.447 956 H N -0.566 118.543 119.070 0.065 0.000 2.797 956 H HA 0.631 5.187 4.556 -0.000 0.000 0.372 956 H C -0.977 174.395 175.328 0.074 0.000 1.168 956 H CA -0.480 55.610 56.048 0.070 0.000 1.163 956 H CB 2.135 31.926 29.762 0.049 0.000 1.778 956 H HN 0.495 nan 8.280 nan 0.000 0.551 957 V N 1.837 121.865 119.914 0.190 0.000 2.673 957 V HA 0.210 4.330 4.120 -0.000 0.000 0.303 957 V C 1.397 177.581 176.094 0.151 0.000 1.046 957 V CA 1.871 64.266 62.300 0.157 0.000 1.126 957 V CB 0.449 32.362 31.823 0.151 0.000 0.934 957 V HN 1.160 nan 8.190 nan 0.000 0.487 958 G N 3.617 112.495 108.800 0.131 0.000 2.258 958 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.233 958 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.233 958 G C 0.079 175.057 174.900 0.130 0.000 1.006 958 G CA 0.090 45.263 45.100 0.122 0.000 0.620 958 G HN 0.666 nan 8.290 nan 0.000 0.511 959 D N 0.915 121.377 120.400 0.104 0.000 2.364 959 D HA 0.417 5.057 4.640 -0.000 0.000 0.236 959 D C 0.535 176.848 176.300 0.021 0.000 1.221 959 D CA 0.415 54.442 54.000 0.046 0.000 0.891 959 D CB 0.569 41.381 40.800 0.020 0.000 1.190 959 D HN 0.489 nan 8.370 nan 0.000 0.449 960 E N 0.393 120.547 120.200 -0.078 0.000 2.102 960 E HA 0.381 4.731 4.350 -0.000 0.000 0.263 960 E C -1.337 175.050 176.600 -0.355 0.000 0.894 960 E CA -0.617 55.638 56.400 -0.241 0.000 0.746 960 E CB 0.840 30.479 29.700 -0.103 0.000 1.129 960 E HN 0.045 nan 8.360 nan 0.000 0.416 961 V N 4.314 123.945 119.914 -0.472 0.000 2.532 961 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 961 V C 0.035 175.783 176.094 -0.577 0.000 1.041 961 V CA -0.771 61.214 62.300 -0.526 0.000 0.926 961 V CB 1.678 33.181 31.823 -0.532 0.000 0.992 961 V HN 0.681 nan 8.190 nan 0.000 0.457 962 N N 2.940 121.235 118.700 -0.675 0.000 2.483 962 N HA 0.384 5.124 4.740 -0.000 0.000 0.267 962 N C -1.623 173.392 175.510 -0.825 0.000 0.998 962 N CA -0.491 52.168 53.050 -0.651 0.000 0.918 962 N CB 1.382 39.488 38.487 -0.635 0.000 1.215 962 N HN 0.622 nan 8.380 nan 0.000 0.500 963 W N 2.602 123.582 121.300 -0.533 0.000 2.391 963 W HA 0.339 4.999 4.660 -0.000 0.000 0.311 963 W C -0.621 175.658 176.519 -0.400 0.000 1.087 963 W CA -0.593 56.524 57.345 -0.380 0.000 1.209 963 W CB 0.652 29.958 29.460 -0.257 0.000 1.273 963 W HN 0.395 nan 8.180 nan 0.000 0.482 964 Y N 4.219 124.615 120.300 0.160 0.000 2.587 964 Y HA 0.431 4.981 4.550 -0.000 0.000 0.328 964 Y C 0.011 175.958 175.900 0.078 0.000 0.980 964 Y CA -1.357 56.763 58.100 0.033 0.000 1.272 964 Y CB 0.168 38.619 38.460 -0.016 0.000 1.094 964 Y HN 0.091 nan 8.280 nan 0.000 0.503 965 L N 5.644 126.954 121.223 0.144 0.000 2.312 965 L HA 0.667 5.007 4.340 -0.000 0.000 0.281 965 L C -0.215 176.721 176.870 0.110 0.000 1.070 965 L CA -0.575 54.335 54.840 0.117 0.000 0.805 965 L CB 0.906 42.930 42.059 -0.059 0.000 1.174 965 L HN 0.560 nan 8.230 nan 0.000 0.434 966 M N 1.640 121.338 119.600 0.164 0.000 2.322 966 M HA 0.688 5.168 4.480 -0.000 0.000 0.285 966 M C -0.633 175.745 176.300 0.130 0.000 1.119 966 M CA -0.517 54.901 55.300 0.197 0.000 0.953 966 M CB 1.886 34.675 32.600 0.314 0.000 1.701 966 M HN 0.458 nan 8.290 nan 0.000 0.479 967 G N 3.251 112.061 108.800 0.018 0.000 2.511 967 G HA2 0.952 4.912 3.960 -0.000 0.000 0.318 967 G HA3 0.952 4.912 3.960 -0.000 0.000 0.318 967 G C -0.976 173.876 174.900 -0.080 0.000 1.210 967 G CA -0.682 44.420 45.100 0.003 0.000 0.969 967 G HN 0.653 nan 8.290 nan 0.000 0.484 968 M N -0.770 118.774 119.600 -0.093 0.000 3.084 968 M HA 0.654 5.134 4.480 -0.000 0.000 0.273 968 M C 0.264 176.445 176.300 -0.199 0.000 1.242 968 M CA 0.232 55.419 55.300 -0.188 0.000 0.819 968 M CB 1.203 33.663 32.600 -0.234 0.000 1.625 968 M HN 1.846 nan 8.290 nan 0.000 0.493 969 G N 1.052 109.686 108.800 -0.277 0.000 2.447 969 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 969 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 969 G C -0.020 174.794 174.900 -0.143 0.000 1.261 969 G CA -0.857 44.107 45.100 -0.228 0.000 1.000 969 G HN 0.430 nan 8.290 nan 0.000 0.515 970 N N -0.243 118.438 118.700 -0.032 0.000 2.290 970 N HA 0.142 4.882 4.740 -0.000 0.000 0.269 970 N C 1.232 176.658 175.510 -0.141 0.000 1.295 970 N CA -0.011 52.993 53.050 -0.076 0.000 0.932 970 N CB 0.260 38.737 38.487 -0.017 0.000 1.128 970 N HN 0.224 nan 8.380 nan 0.000 0.532 971 E N 0.023 120.134 120.200 -0.150 0.000 2.160 971 E HA -0.152 4.197 4.350 -0.000 0.000 0.195 971 E C 1.732 178.287 176.600 -0.074 0.000 0.991 971 E CA 0.794 57.108 56.400 -0.143 0.000 0.810 971 E CB 0.004 29.665 29.700 -0.065 0.000 0.742 971 E HN 0.438 nan 8.360 nan 0.000 0.466 972 I N 1.842 122.380 120.570 -0.052 0.000 2.361 972 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 972 I C 0.818 176.888 176.117 -0.080 0.000 1.133 972 I CA 1.024 62.316 61.300 -0.014 0.000 1.413 972 I CB -0.903 37.092 38.000 -0.009 0.000 1.073 972 I HN 0.016 nan 8.210 nan 0.000 0.424 973 D N 2.544 122.833 120.400 -0.184 0.000 2.669 973 D HA 0.058 4.698 4.640 -0.000 0.000 0.229 973 D C -0.169 175.828 176.300 -0.506 0.000 1.092 973 D CA 0.315 54.048 54.000 -0.445 0.000 1.175 973 D CB -0.105 40.605 40.800 -0.150 0.000 1.133 973 D HN 0.091 nan 8.370 nan 0.000 0.471 974 L N 2.291 123.223 121.223 -0.485 0.000 2.272 974 L HA 0.251 4.591 4.340 -0.000 0.000 0.289 974 L C 0.163 176.720 176.870 -0.523 0.000 1.032 974 L CA -0.311 54.332 54.840 -0.328 0.000 0.810 974 L CB 1.219 43.217 42.059 -0.101 0.000 1.205 974 L HN 0.114 nan 8.230 nan 0.000 0.422 975 H N 1.361 120.192 119.070 -0.397 0.000 3.172 975 H HA 0.323 4.879 4.556 -0.000 0.000 0.322 975 H C -0.717 174.312 175.328 -0.497 0.000 1.003 975 H CA -0.645 55.216 56.048 -0.311 0.000 1.466 975 H CB 1.502 31.093 29.762 -0.285 0.000 1.673 975 H HN 0.496 nan 8.280 nan 0.000 0.512 976 T N 0.862 115.285 114.554 -0.218 0.000 2.747 976 T HA 0.318 4.668 4.350 -0.000 0.000 0.301 976 T C 0.669 175.238 174.700 -0.217 0.000 0.952 976 T CA -0.712 61.244 62.100 -0.239 0.000 0.983 976 T CB 0.745 69.541 68.868 -0.121 0.000 0.930 976 T HN 0.110 nan 8.240 nan 0.000 0.494 977 V N 4.366 124.051 119.914 -0.382 0.000 2.488 977 V HA 0.287 4.407 4.120 -0.000 0.000 0.277 977 V C 0.074 175.966 176.094 -0.337 0.000 1.046 977 V CA -0.402 61.570 62.300 -0.546 0.000 0.986 977 V CB 0.077 31.370 31.823 -0.883 0.000 0.989 977 V HN 0.932 nan 8.190 nan 0.000 0.475 978 H N 4.666 123.407 119.070 -0.549 0.000 2.538 978 H HA 0.603 5.159 4.556 -0.000 0.000 0.353 978 H C -1.457 173.428 175.328 -0.738 0.000 1.109 978 H CA -1.137 54.623 56.048 -0.480 0.000 1.192 978 H CB 1.296 30.872 29.762 -0.311 0.000 1.555 978 H HN 0.432 nan 8.280 nan 0.000 0.518 979 F N 3.683 123.136 119.950 -0.827 0.000 2.375 979 F HA 0.259 4.786 4.527 -0.000 0.000 0.361 979 F C 0.416 175.786 175.800 -0.717 0.000 1.117 979 F CA -0.580 57.054 58.000 -0.609 0.000 1.037 979 F CB 0.683 39.420 39.000 -0.438 0.000 1.192 979 F HN 0.598 nan 8.300 nan 0.000 0.452 980 H N 1.225 120.148 119.070 -0.246 0.000 2.848 980 H HA 0.353 4.909 4.556 -0.000 0.000 0.341 980 H C 1.193 176.353 175.328 -0.280 0.000 1.060 980 H CA 0.827 56.812 56.048 -0.105 0.000 1.444 980 H CB 0.841 30.708 29.762 0.175 0.000 1.446 980 H HN 0.953 nan 8.280 nan 0.000 0.583 981 G N 2.179 110.832 108.800 -0.246 0.000 2.234 981 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 981 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 981 G C -0.201 174.042 174.900 -1.095 0.000 0.987 981 G CA 0.379 44.822 45.100 -1.094 0.000 0.625 981 G HN 0.791 nan 8.290 nan 0.000 0.532 982 H N -0.248 118.567 119.070 -0.425 0.000 2.930 982 H HA 0.640 5.195 4.556 -0.000 0.000 0.371 982 H C 0.199 175.396 175.328 -0.218 0.000 1.169 982 H CA -0.156 55.716 56.048 -0.292 0.000 1.157 982 H CB 1.992 31.625 29.762 -0.215 0.000 1.789 982 H HN 0.444 nan 8.280 nan 0.000 0.547 983 S N 1.404 117.069 115.700 -0.057 0.000 2.768 983 S HA 0.764 5.233 4.470 -0.000 0.000 0.300 983 S C -0.790 173.715 174.600 -0.158 0.000 1.122 983 S CA -0.758 57.315 58.200 -0.213 0.000 0.995 983 S CB 1.204 64.292 63.200 -0.187 0.000 1.195 983 S HN 0.468 nan 8.310 nan 0.000 0.547 984 F N -1.828 118.155 119.950 0.055 0.000 2.629 984 F HA 0.723 5.250 4.527 -0.000 0.000 0.316 984 F C -0.723 175.176 175.800 0.165 0.000 1.081 984 F CA -1.227 56.798 58.000 0.042 0.000 0.954 984 F CB 0.829 39.798 39.000 -0.052 0.000 1.337 984 F HN 0.577 nan 8.300 nan 0.000 0.474 985 Q N 0.346 120.443 119.800 0.496 0.000 2.297 985 Q HA 0.420 4.760 4.340 -0.000 0.000 0.268 985 Q C -0.977 175.301 176.000 0.464 0.000 1.045 985 Q CA -0.727 55.321 55.803 0.408 0.000 0.861 985 Q CB 2.528 31.410 28.738 0.239 0.000 1.344 985 Q HN 0.960 nan 8.270 nan 0.000 0.452 986 Y N -1.676 118.769 120.300 0.240 0.000 2.524 986 Y HA 0.453 5.003 4.550 -0.000 0.000 0.276 986 Y C 0.377 176.329 175.900 0.086 0.000 1.155 986 Y CA -0.535 57.653 58.100 0.148 0.000 1.165 986 Y CB 0.487 39.038 38.460 0.152 0.000 1.306 986 Y HN 0.237 nan 8.280 nan 0.000 0.522 987 K N 0.597 120.897 120.400 -0.167 0.000 2.627 987 K HA 0.101 4.421 4.320 -0.000 0.000 0.269 987 K C -0.635 175.941 176.600 -0.041 0.000 1.029 987 K CA -0.881 55.354 56.287 -0.088 0.000 1.026 987 K CB 0.014 32.335 32.500 -0.298 0.000 1.350 987 K HN 0.177 nan 8.250 nan 0.000 0.506 988 H N 1.345 120.352 119.070 -0.105 0.000 3.187 988 H HA -0.037 4.519 4.556 -0.000 0.000 0.286 988 H C -0.448 174.824 175.328 -0.093 0.000 0.944 988 H CA 1.426 57.431 56.048 -0.071 0.000 1.429 988 H CB -0.183 29.543 29.762 -0.061 0.000 1.483 988 H HN 0.508 nan 8.280 nan 0.000 0.555 989 R N 2.968 123.241 120.500 -0.379 0.000 3.739 989 R HA -0.140 4.200 4.340 -0.000 0.000 0.338 989 R C 0.907 177.116 176.300 -0.151 0.000 1.151 989 R CA 0.600 56.513 56.100 -0.311 0.000 0.873 989 R CB -1.900 28.177 30.300 -0.371 0.000 1.455 989 R HN 1.111 nan 8.270 nan 0.000 0.502 990 G N 0.195 108.942 108.800 -0.088 0.000 2.379 990 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.297 990 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.297 990 G C 0.731 175.574 174.900 -0.095 0.000 1.004 990 G CA 0.527 45.612 45.100 -0.024 0.000 0.921 990 G HN 0.374 nan 8.290 nan 0.000 0.511 991 V N -1.335 118.432 119.914 -0.244 0.000 2.688 991 V HA 0.048 4.168 4.120 -0.000 0.000 0.256 991 V C 0.961 176.901 176.094 -0.258 0.000 1.084 991 V CA 1.491 63.597 62.300 -0.323 0.000 1.103 991 V CB -0.375 31.148 31.823 -0.501 0.000 0.688 991 V HN 0.466 nan 8.190 nan 0.000 0.480 992 Y N -1.102 119.067 120.300 -0.218 0.000 2.524 992 Y HA 0.688 5.238 4.550 -0.000 0.000 0.344 992 Y C 0.226 176.095 175.900 -0.053 0.000 1.012 992 Y CA -1.504 56.451 58.100 -0.242 0.000 1.068 992 Y CB 1.712 39.806 38.460 -0.611 0.000 1.249 992 Y HN -0.123 nan 8.280 nan 0.000 0.468 993 S N 1.046 116.888 115.700 0.238 0.000 2.568 993 S HA 0.875 5.345 4.470 -0.000 0.000 0.293 993 S C -0.946 173.772 174.600 0.197 0.000 1.089 993 S CA -0.174 58.152 58.200 0.211 0.000 0.945 993 S CB 1.405 64.666 63.200 0.102 0.000 1.077 993 S HN 0.857 nan 8.310 nan 0.000 0.485 994 S N 1.432 117.138 115.700 0.011 0.000 2.686 994 S HA 0.299 4.769 4.470 -0.000 0.000 0.273 994 S C -1.678 172.540 174.600 -0.637 0.000 1.060 994 S CA 0.033 58.165 58.200 -0.114 0.000 0.845 994 S CB 0.446 63.733 63.200 0.146 0.000 1.086 994 S HN 0.905 nan 8.310 nan 0.000 0.461 995 D N 0.243 120.453 120.400 -0.317 0.000 2.503 995 D HA 0.405 5.045 4.640 -0.000 0.000 0.218 995 D C -0.158 176.235 176.300 0.155 0.000 1.183 995 D CA -0.068 53.771 54.000 -0.268 0.000 0.827 995 D CB 0.721 41.539 40.800 0.031 0.000 1.034 995 D HN 0.372 nan 8.370 nan 0.000 0.510 996 V N 0.708 120.743 119.914 0.201 0.000 2.638 996 V HA 0.506 4.625 4.120 -0.000 0.000 0.306 996 V C -1.435 174.864 176.094 0.341 0.000 1.052 996 V CA -1.007 61.460 62.300 0.278 0.000 0.885 996 V CB 1.885 33.787 31.823 0.132 0.000 0.999 996 V HN 0.105 nan 8.190 nan 0.000 0.424 997 F N 2.303 122.304 119.950 0.086 0.000 2.493 997 F HA 0.581 5.108 4.527 -0.000 0.000 0.329 997 F C -0.063 175.574 175.800 -0.272 0.000 1.126 997 F CA -0.635 57.320 58.000 -0.074 0.000 0.937 997 F CB 1.519 40.388 39.000 -0.218 0.000 1.146 997 F HN 0.603 nan 8.300 nan 0.000 0.442 998 D N 6.480 126.344 120.400 -0.894 0.000 2.348 998 D HA 0.427 5.066 4.640 -0.000 0.000 0.253 998 D C -0.497 175.233 176.300 -0.950 0.000 1.161 998 D CA 0.480 53.968 54.000 -0.854 0.000 0.876 998 D CB 1.070 41.486 40.800 -0.641 0.000 1.160 998 D HN 0.350 nan 8.370 nan 0.000 0.459 999 I N 2.820 122.707 120.570 -1.137 0.000 2.569 999 I HA 0.421 4.590 4.170 -0.000 0.000 0.290 999 I C -1.140 174.343 176.117 -1.056 0.000 1.088 999 I CA -0.754 60.060 61.300 -0.809 0.000 1.047 999 I CB 1.048 38.825 38.000 -0.371 0.000 1.237 999 I HN 0.286 nan 8.210 nan 0.000 0.421 1000 F N 4.892 124.736 119.950 -0.176 0.000 2.664 1000 F HA 0.506 5.032 4.527 -0.000 0.000 0.317 1000 F C -2.466 173.208 175.800 -0.210 0.000 1.108 1000 F CA -2.847 55.044 58.000 -0.182 0.000 0.957 1000 F CB 0.346 39.263 39.000 -0.139 0.000 1.365 1000 F HN 0.170 nan 8.300 nan 0.000 0.475 1001 P HA 0.094 nan 4.420 nan 0.000 0.252 1001 P C 0.606 177.747 177.300 -0.266 0.000 1.147 1001 P CA 1.961 64.959 63.100 -0.170 0.000 0.779 1001 P CB -0.229 31.357 31.700 -0.190 0.000 0.733 1002 G N 1.667 110.207 108.800 -0.434 0.000 2.159 1002 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.227 1002 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.227 1002 G C 0.165 174.435 174.900 -1.050 0.000 0.986 1002 G CA -0.232 44.431 45.100 -0.729 0.000 0.651 1002 G HN 0.529 nan 8.290 nan 0.000 0.523 1003 T N 1.167 115.269 114.554 -0.752 0.000 2.767 1003 T HA 0.605 4.955 4.350 -0.000 0.000 0.288 1003 T C -0.990 173.364 174.700 -0.577 0.000 0.963 1003 T CA 0.058 61.851 62.100 -0.511 0.000 1.019 1003 T CB 1.008 69.793 68.868 -0.138 0.000 0.923 1003 T HN 0.243 nan 8.240 nan 0.000 0.468 1004 Y N 2.141 122.377 120.300 -0.105 0.000 2.329 1004 Y HA 0.642 5.192 4.550 -0.000 0.000 0.328 1004 Y C 0.116 175.917 175.900 -0.166 0.000 0.992 1004 Y CA -1.279 56.717 58.100 -0.174 0.000 1.151 1004 Y CB 1.753 40.040 38.460 -0.288 0.000 1.150 1004 Y HN 0.493 nan 8.280 nan 0.000 0.450 1005 Q N 1.010 120.790 119.800 -0.032 0.000 2.416 1005 Q HA 0.660 4.999 4.340 -0.000 0.000 0.281 1005 Q C -1.235 174.678 176.000 -0.144 0.000 1.067 1005 Q CA -0.687 55.029 55.803 -0.144 0.000 0.809 1005 Q CB 2.491 31.019 28.738 -0.350 0.000 1.418 1005 Q HN 0.609 nan 8.270 nan 0.000 0.411 1006 T N 2.968 117.453 114.554 -0.114 0.000 2.809 1006 T HA 0.678 5.028 4.350 -0.000 0.000 0.284 1006 T C -1.298 173.320 174.700 -0.138 0.000 0.992 1006 T CA -0.532 61.562 62.100 -0.011 0.000 0.957 1006 T CB 0.127 69.100 68.868 0.174 0.000 0.942 1006 T HN 0.507 nan 8.240 nan 0.000 0.439 1007 L N 4.257 125.347 121.223 -0.221 0.000 2.322 1007 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 1007 L C 0.260 177.066 176.870 -0.106 0.000 1.014 1007 L CA -0.997 53.690 54.840 -0.254 0.000 0.815 1007 L CB 1.884 43.554 42.059 -0.648 0.000 1.247 1007 L HN 0.616 nan 8.230 nan 0.000 0.421 1008 E N 3.646 123.816 120.200 -0.050 0.000 2.249 1008 E HA 0.616 4.966 4.350 -0.000 0.000 0.280 1008 E C -0.755 175.756 176.600 -0.149 0.000 1.016 1008 E CA -0.370 55.938 56.400 -0.155 0.000 0.830 1008 E CB 2.332 31.958 29.700 -0.123 0.000 1.081 1008 E HN 0.434 nan 8.360 nan 0.000 0.395 1009 M N 3.226 122.592 119.600 -0.390 0.000 2.365 1009 M HA 0.371 4.851 4.480 -0.000 0.000 0.287 1009 M C -1.978 173.958 176.300 -0.607 0.000 1.154 1009 M CA -0.562 54.555 55.300 -0.305 0.000 0.941 1009 M CB 1.217 33.785 32.600 -0.054 0.000 1.704 1009 M HN 0.452 nan 8.290 nan 0.000 0.479 1010 F N 4.544 124.456 119.950 -0.064 0.000 2.359 1010 F HA 0.490 5.017 4.527 -0.000 0.000 0.369 1010 F C -2.141 173.576 175.800 -0.137 0.000 1.084 1010 F CA -1.883 56.071 58.000 -0.077 0.000 1.096 1010 F CB 0.532 39.507 39.000 -0.041 0.000 1.335 1010 F HN 0.327 nan 8.300 nan 0.000 0.457 1011 P HA 0.102 nan 4.420 nan 0.000 0.264 1011 P C 0.500 177.811 177.300 0.019 0.000 1.183 1011 P CA -0.004 62.924 63.100 -0.286 0.000 0.763 1011 P CB 1.140 32.773 31.700 -0.112 0.000 0.807 1012 R N 0.822 121.445 120.500 0.204 0.000 2.437 1012 R HA 0.167 4.507 4.340 -0.000 0.000 0.184 1012 R C 0.112 176.559 176.300 0.244 0.000 0.850 1012 R CA 0.816 57.048 56.100 0.220 0.000 1.073 1012 R CB -0.164 30.226 30.300 0.150 0.000 1.336 1012 R HN 0.361 nan 8.270 nan 0.000 0.640 1013 T N 4.871 119.622 114.554 0.328 0.000 2.771 1013 T HA 0.336 4.686 4.350 -0.000 0.000 0.291 1013 T C -2.474 172.462 174.700 0.393 0.000 0.954 1013 T CA -1.193 61.018 62.100 0.185 0.000 1.045 1013 T CB 2.092 70.898 68.868 -0.104 0.000 0.917 1013 T HN 0.092 nan 8.240 nan 0.000 0.484 1014 P HA 0.598 nan 4.420 nan 0.000 0.279 1014 P C 0.021 177.464 177.300 0.238 0.000 1.252 1014 P CA -0.097 63.175 63.100 0.285 0.000 0.811 1014 P CB 1.280 33.082 31.700 0.171 0.000 1.035 1015 G N 0.722 109.574 108.800 0.086 0.000 2.351 1015 G HA2 0.084 4.044 3.960 -0.000 0.000 0.353 1015 G HA3 0.084 4.044 3.960 -0.000 0.000 0.353 1015 G C -1.501 173.118 174.900 -0.468 0.000 1.358 1015 G CA -0.895 44.038 45.100 -0.278 0.000 0.995 1015 G HN 0.434 nan 8.290 nan 0.000 0.611 1016 I N 0.531 120.762 120.570 -0.564 0.000 2.312 1016 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 1016 I C -0.324 175.499 176.117 -0.491 0.000 1.031 1016 I CA -0.193 60.889 61.300 -0.364 0.000 1.293 1016 I CB 0.706 38.620 38.000 -0.143 0.000 1.403 1016 I HN 0.455 nan 8.210 nan 0.000 0.484 1017 W N 6.244 127.433 121.300 -0.185 0.000 2.639 1017 W HA 0.525 5.184 4.660 -0.000 0.000 0.347 1017 W C -0.465 176.049 176.519 -0.009 0.000 1.067 1017 W CA -0.869 56.416 57.345 -0.100 0.000 1.218 1017 W CB 1.057 30.248 29.460 -0.449 0.000 1.393 1017 W HN 0.207 nan 8.180 nan 0.000 0.557 1018 L N 3.391 124.797 121.223 0.306 0.000 2.326 1018 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 1018 L C -0.837 176.077 176.870 0.073 0.000 1.092 1018 L CA -0.477 54.378 54.840 0.026 0.000 0.810 1018 L CB 0.432 42.248 42.059 -0.405 0.000 1.153 1018 L HN 0.478 nan 8.230 nan 0.000 0.439 1019 L N 5.453 126.709 121.223 0.055 0.000 2.376 1019 L HA 0.616 4.956 4.340 -0.000 0.000 0.275 1019 L C -1.443 175.373 176.870 -0.091 0.000 0.987 1019 L CA -0.443 54.335 54.840 -0.104 0.000 0.828 1019 L CB 1.010 43.092 42.059 0.038 0.000 1.249 1019 L HN 1.013 nan 8.230 nan 0.000 0.409 1020 H N 1.400 120.358 119.070 -0.187 0.000 2.981 1020 H HA 0.328 4.883 4.556 -0.000 0.000 0.327 1020 H C -1.193 174.107 175.328 -0.048 0.000 1.342 1020 H CA -0.909 55.092 56.048 -0.079 0.000 1.123 1020 H CB 1.020 30.733 29.762 -0.083 0.000 1.851 1020 H HN 0.576 nan 8.280 nan 0.000 0.531 1021 C N 1.813 121.263 119.300 0.250 0.000 2.527 1021 C HA 0.184 4.644 4.460 -0.000 0.000 0.396 1021 C C 1.171 176.325 174.990 0.273 0.000 1.289 1021 C CA -0.189 58.938 59.018 0.181 0.000 2.047 1021 C CB -0.712 27.195 27.740 0.278 0.000 2.568 1021 C HN 0.994 nan 8.230 nan 0.000 0.573 1022 H N 3.368 122.515 119.070 0.128 0.000 2.536 1022 H HA 0.172 4.727 4.556 -0.000 0.000 0.276 1022 H C 0.411 175.726 175.328 -0.022 0.000 1.019 1022 H CA 0.724 56.841 56.048 0.115 0.000 1.159 1022 H CB 0.079 29.874 29.762 0.055 0.000 1.373 1022 H HN 0.618 nan 8.280 nan 0.000 0.584 1023 V N 0.082 120.027 119.914 0.050 0.000 2.394 1023 V HA 0.193 4.313 4.120 -0.000 0.000 0.282 1023 V C 1.236 177.235 176.094 -0.158 0.000 1.031 1023 V CA -0.232 62.003 62.300 -0.110 0.000 0.881 1023 V CB 1.586 33.229 31.823 -0.300 0.000 0.982 1023 V HN 0.234 nan 8.190 nan 0.000 0.451 1024 T N 3.803 118.262 114.554 -0.158 0.000 2.522 1024 T HA -0.339 4.011 4.350 -0.000 0.000 0.253 1024 T C 1.334 175.998 174.700 -0.060 0.000 1.218 1024 T CA 3.068 65.061 62.100 -0.177 0.000 1.155 1024 T CB -0.599 68.078 68.868 -0.319 0.000 0.855 1024 T HN 1.092 nan 8.240 nan 0.000 0.435 1025 D N 0.437 120.812 120.400 -0.042 0.000 2.133 1025 D HA -0.175 4.465 4.640 -0.000 0.000 0.192 1025 D C 1.911 178.327 176.300 0.194 0.000 1.001 1025 D CA 1.847 55.917 54.000 0.117 0.000 0.844 1025 D CB -0.370 40.548 40.800 0.195 0.000 0.944 1025 D HN 0.730 nan 8.370 nan 0.000 0.447 1026 H N -0.585 118.524 119.070 0.065 0.000 2.353 1026 H HA -0.042 4.514 4.556 -0.000 0.000 0.300 1026 H C 2.368 177.671 175.328 -0.041 0.000 1.090 1026 H CA 0.837 56.929 56.048 0.073 0.000 1.327 1026 H CB 0.108 29.977 29.762 0.177 0.000 1.383 1026 H HN 0.226 nan 8.280 nan 0.000 0.508 1027 I N 0.622 121.209 120.570 0.028 0.000 2.090 1027 I HA -0.303 3.867 4.170 -0.000 0.000 0.236 1027 I C 2.354 178.425 176.117 -0.077 0.000 1.064 1027 I CA 1.281 62.513 61.300 -0.113 0.000 1.324 1027 I CB -0.418 37.399 38.000 -0.305 0.000 1.044 1027 I HN 0.417 nan 8.210 nan 0.000 0.399 1028 H N 0.597 119.695 119.070 0.047 0.000 2.489 1028 H HA -0.097 4.459 4.556 -0.000 0.000 0.295 1028 H C 2.148 177.596 175.328 0.200 0.000 1.082 1028 H CA 1.455 57.601 56.048 0.163 0.000 1.295 1028 H CB -0.110 29.718 29.762 0.110 0.000 1.380 1028 H HN 0.405 nan 8.280 nan 0.000 0.548 1029 A N -0.233 122.618 122.820 0.050 0.000 2.123 1029 A HA 0.259 4.579 4.320 -0.000 0.000 0.214 1029 A C 2.086 179.326 177.584 -0.574 0.000 1.152 1029 A CA 1.135 53.005 52.037 -0.279 0.000 0.728 1029 A CB 0.069 18.498 19.000 -0.951 0.000 0.814 1029 A HN 0.498 nan 8.150 nan 0.000 0.464 1030 G N -1.907 106.489 108.800 -0.673 0.000 2.175 1030 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.182 1030 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.182 1030 G C 0.339 174.888 174.900 -0.586 0.000 1.003 1030 G CA 0.127 44.444 45.100 -1.304 0.000 0.666 1030 G HN 0.511 nan 8.290 nan 0.000 0.506 1031 M N 2.138 121.569 119.600 -0.282 0.000 3.593 1031 M HA 0.426 4.906 4.480 -0.000 0.000 0.204 1031 M C 0.479 176.735 176.300 -0.073 0.000 1.569 1031 M CA 0.574 55.792 55.300 -0.136 0.000 1.694 1031 M CB -0.565 32.041 32.600 0.010 0.000 1.149 1031 M HN 0.453 nan 8.290 nan 0.000 0.552 1032 E N -0.048 120.061 120.200 -0.150 0.000 2.401 1032 E HA 0.615 4.964 4.350 -0.000 0.000 0.280 1032 E C -1.359 175.094 176.600 -0.244 0.000 1.039 1032 E CA -1.043 55.302 56.400 -0.092 0.000 0.814 1032 E CB 1.930 31.646 29.700 0.025 0.000 1.275 1032 E HN 0.198 nan 8.360 nan 0.000 0.448 1033 T N -0.236 114.188 114.554 -0.218 0.000 2.653 1033 T HA 0.528 4.878 4.350 -0.000 0.000 0.306 1033 T C -1.648 172.974 174.700 -0.130 0.000 1.426 1033 T CA 0.099 62.003 62.100 -0.326 0.000 1.008 1033 T CB 1.499 70.228 68.868 -0.231 0.000 1.692 1033 T HN 0.776 nan 8.240 nan 0.000 0.483 1034 T N 0.897 115.409 114.554 -0.069 0.000 2.876 1034 T HA 0.752 5.102 4.350 -0.000 0.000 0.289 1034 T C -1.266 173.556 174.700 0.204 0.000 1.014 1034 T CA -0.752 61.420 62.100 0.121 0.000 0.986 1034 T CB 1.140 70.112 68.868 0.173 0.000 1.021 1034 T HN 0.711 nan 8.240 nan 0.000 0.458 1035 Y N -0.592 119.819 120.300 0.185 0.000 2.393 1035 Y HA 0.746 5.296 4.550 -0.000 0.000 0.341 1035 Y C -0.503 175.537 175.900 0.233 0.000 0.988 1035 Y CA -1.153 57.053 58.100 0.176 0.000 1.078 1035 Y CB 1.144 39.750 38.460 0.244 0.000 1.203 1035 Y HN 0.638 nan 8.280 nan 0.000 0.453 1036 T N 4.456 119.109 114.554 0.164 0.000 2.767 1036 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 1036 T C -0.702 174.083 174.700 0.142 0.000 0.963 1036 T CA -0.620 61.530 62.100 0.083 0.000 1.019 1036 T CB 1.085 69.978 68.868 0.040 0.000 0.923 1036 T HN 0.590 nan 8.240 nan 0.000 0.468 1037 V N 5.484 125.498 119.914 0.166 0.000 2.328 1037 V HA 0.351 4.471 4.120 -0.000 0.000 0.278 1037 V C 0.112 176.239 176.094 0.055 0.000 1.021 1037 V CA -0.734 61.673 62.300 0.178 0.000 0.838 1037 V CB 0.917 32.950 31.823 0.350 0.000 0.999 1037 V HN 0.751 nan 8.190 nan 0.000 0.447 1038 L N 3.662 124.820 121.223 -0.108 0.000 2.375 1038 L HA 0.413 4.753 4.340 -0.000 0.000 0.271 1038 L C 0.547 177.362 176.870 -0.091 0.000 1.107 1038 L CA -0.502 54.218 54.840 -0.200 0.000 0.806 1038 L CB 0.974 42.701 42.059 -0.553 0.000 1.146 1038 L HN 0.507 nan 8.230 nan 0.000 0.447 1039 Q N 3.176 122.977 119.800 0.002 0.000 2.311 1039 Q HA 0.044 4.384 4.340 -0.000 0.000 0.272 1039 Q C -0.220 175.869 176.000 0.148 0.000 1.012 1039 Q CA 0.470 56.323 55.803 0.083 0.000 0.891 1039 Q CB 0.639 29.425 28.738 0.081 0.000 1.201 1039 Q HN 0.575 nan 8.270 nan 0.000 0.391 1040 N N 0.000 118.804 118.700 0.174 0.000 1.763 1040 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1040 N CA 0.000 53.172 53.050 0.204 0.000 0.885 1040 N CB 0.000 38.568 38.487 0.136 0.000 1.341 1040 N HN 0.000 nan 8.380 nan 0.000 0.667