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 3ir7_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKFLDRFXXF KQKGETFADG HGQLLNTNRD WEDGYRQRWQ HDKIVRSTHG DATA SEQUENCE VNCTGSCSWK IYVKNGLVTW ETQQTDYPRT RPDLPNHEPR GCPSGASYSW DATA SEQUENCE YLYSANRLKY PMMRKRLMKM WREAKALHSD PVEAWASIIE DADKAKSFKQ DATA SEQUENCE ARGRGGFVRS SWQEVNELIA ASNVYTIKNY GPDRVAGFSP IPAMSMVSYA DATA SEQUENCE SGARYLSLIG GTCLSFYDWY CDLPPASPQT WGEQTDVPES ADWYNSSYII DATA SEQUENCE AWGSNVPQTR TPDAHFFTEV RYKGTKTVAV TPDYAEIAKL CDLWLAPKQG DATA SEQUENCE TDAAMALAMG HVMLREFHLD NPSQYFTDYV RRYTDMPMLV MLEERDGYYA DATA SEQUENCE AGRMLRAADL VDALGQENNP EWKTVAFNTN GEMVAPNGSI GFRWGEKGKW DATA SEQUENCE NLEQRDGKTG EETELQLSLL GSQDEIAEVG FPYFGGDGTE HFNKVELENV DATA SEQUENCE LLHKLPVKRL QLADGSTALV TTVYDLTLAN YGLERGLNDV NCATSYDDVK DATA SEQUENCE AYTPAWAEQI TGVSRSQIIR IAREFADNAD KTHGRSMIIV GAGLNHWYHL DATA SEQUENCE DMNYRGLINM LIFCGCVGQS GGGWAHYVGQ EKLRPQTGWQ PLAFALDWQR DATA SEQUENCE PARHMNSTSY FYNHSSQWRY ETVTAEELLS PMADKSRYTG HLIDFNVRAE DATA SEQUENCE RMGWLPSAPQ LGTNPLTIAG EAEKAGMNPV DYTVKSLKEG SIRFAAEQPE DATA SEQUENCE NGKNHPRNLF IWRSNLLGSS GKGHEFMLKY LLGTEHGIQG KDLGQQGGVK DATA SEQUENCE PEEVDWQDNG LEGKLDLVVT LDFRLSSTCL YSDIILPTAT WYEKDDMNTS DATA SEQUENCE DMHPFIHPLS AAVDPAWEAK SDWEIYKAIA KKFSEVCVGH LGKETDIVTL DATA SEQUENCE PIQHDSAAEL AQPLDVKDWK KGECDLIPGK TAPHIMVVER DYPATYERFT DATA SEQUENCE SIGPLMEKIG NGGKGIAWNT QSEMDLLRKL NYTKAEGPAK GQPMLNTAID DATA SEQUENCE AAEMILTLAP ETNGQVAVKA WAALSEFTGR DHTHLALNKE DEKIRFRDIQ DATA SEQUENCE AQPRKIISSP TWSGLEDEHV SYNAGYTNVH ELIPWRTLSG RQQLYQDHQW DATA SEQUENCE MRDFGESLLV YRPPIDTRSV KEVIGQKSNG NQEKALNFLT PHQKWGIHST DATA SEQUENCE YSDNLLMLTL GRGGPVVWLS EADAKDLGIA DNDWIEVFNS NGALTARAVV DATA SEQUENCE SQRVPAGMTM MYHAQERIVN LPGSEITQQR GGIHNSVTRI TPKPTHMIGG DATA SEQUENCE YAHLAYGFNY YGTVGSNRDE FVVVRKMKNI DWLDGEGNDQ VQES 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.637 174.600 0.061 0.000 1.055 1 S CA 0.000 58.230 58.200 0.050 0.000 1.107 1 S CB 0.000 63.234 63.200 0.057 0.000 0.593 2 K N 2.449 122.901 120.400 0.087 0.000 2.209 2 K HA -0.051 4.269 4.320 0.000 0.000 0.204 2 K C 1.425 178.102 176.600 0.129 0.000 1.048 2 K CA 1.477 57.820 56.287 0.093 0.000 0.940 2 K CB -0.182 32.375 32.500 0.094 0.000 0.729 2 K HN 0.633 nan 8.250 nan 0.000 0.451 3 F N 1.718 121.671 119.950 0.006 0.000 2.113 3 F HA -0.095 4.432 4.527 0.000 0.000 0.297 3 F C 1.653 177.444 175.800 -0.014 0.000 1.103 3 F CA 1.190 59.199 58.000 0.015 0.000 1.248 3 F CB -0.234 38.760 39.000 -0.009 0.000 0.999 3 F HN -0.144 nan 8.300 nan 0.000 0.475 4 L N -0.020 121.063 121.223 -0.233 0.000 2.191 4 L HA -0.197 4.143 4.340 0.000 0.000 0.212 4 L C 1.891 178.617 176.870 -0.240 0.000 1.103 4 L CA 1.265 55.816 54.840 -0.481 0.000 0.769 4 L CB -0.900 40.988 42.059 -0.285 0.000 0.908 4 L HN 0.076 nan 8.230 nan 0.000 0.438 5 D N 0.244 120.597 120.400 -0.078 0.000 2.182 5 D HA -0.149 4.491 4.640 0.000 0.000 0.201 5 D C 2.211 178.542 176.300 0.051 0.000 0.986 5 D CA 0.871 54.872 54.000 0.002 0.000 0.847 5 D CB -0.099 40.716 40.800 0.026 0.000 0.942 5 D HN 0.198 nan 8.370 nan 0.000 0.467 6 R N -0.519 120.019 120.500 0.063 0.000 2.249 6 R HA -0.062 4.278 4.340 0.000 0.000 0.230 6 R C 0.397 176.781 176.300 0.141 0.000 1.121 6 R CA 0.268 56.423 56.100 0.091 0.000 0.997 6 R CB -0.085 30.251 30.300 0.060 0.000 0.867 6 R HN 0.140 nan 8.270 nan 0.000 0.465 11 K N 0.320 120.725 120.400 0.009 0.000 2.113 11 K HA -0.215 4.105 4.320 0.000 0.000 0.208 11 K C 1.531 178.141 176.600 0.018 0.000 1.047 11 K CA 2.116 58.412 56.287 0.015 0.000 0.928 11 K CB -0.274 32.237 32.500 0.019 0.000 0.716 11 K HN 0.744 nan 8.250 nan 0.000 0.446 12 Q N 0.415 120.226 119.800 0.019 0.000 2.431 12 Q HA 0.010 4.350 4.340 0.000 0.000 0.210 12 Q C -0.468 175.547 176.000 0.025 0.000 0.958 12 Q CA 0.420 56.237 55.803 0.024 0.000 0.957 12 Q CB 0.298 29.053 28.738 0.028 0.000 1.007 12 Q HN 0.076 nan 8.270 nan 0.000 0.511 13 K N 0.768 121.180 120.400 0.020 0.000 2.292 13 K HA 0.292 4.612 4.320 0.000 0.000 0.270 13 K C 0.126 176.742 176.600 0.026 0.000 1.062 13 K CA -0.378 55.922 56.287 0.021 0.000 0.916 13 K CB 1.491 33.998 32.500 0.010 0.000 1.166 13 K HN 0.086 nan 8.250 nan 0.000 0.458 14 G N 2.205 111.028 108.800 0.038 0.000 2.630 14 G HA2 0.111 4.071 3.960 0.000 0.000 0.223 14 G HA3 0.111 4.071 3.960 0.000 0.000 0.223 14 G C -0.420 174.512 174.900 0.053 0.000 1.434 14 G CA -0.448 44.678 45.100 0.043 0.000 1.057 14 G HN 0.528 nan 8.290 nan 0.000 0.570 15 E N 0.129 120.369 120.200 0.067 0.000 2.383 15 E HA 0.278 4.628 4.350 0.000 0.000 0.264 15 E C 0.497 177.176 176.600 0.132 0.000 1.050 15 E CA 0.042 56.491 56.400 0.083 0.000 0.896 15 E CB 0.737 30.486 29.700 0.082 0.000 0.982 15 E HN 0.511 nan 8.360 nan 0.000 0.424 16 T N -0.213 114.401 114.554 0.100 0.000 2.810 16 T HA 0.581 4.931 4.350 0.000 0.000 0.277 16 T C -0.177 174.637 174.700 0.189 0.000 0.973 16 T CA -0.682 61.457 62.100 0.066 0.000 0.949 16 T CB 0.430 69.281 68.868 -0.028 0.000 1.075 16 T HN 0.440 nan 8.240 nan 0.000 0.537 17 F N -3.325 116.639 119.950 0.022 0.000 2.741 17 F HA 0.686 5.213 4.527 0.000 0.000 0.313 17 F C 0.136 175.967 175.800 0.052 0.000 1.153 17 F CA -1.106 56.912 58.000 0.030 0.000 0.931 17 F CB 0.889 39.905 39.000 0.027 0.000 1.335 17 F HN 1.095 nan 8.300 nan 0.000 0.460 18 A N 1.649 124.620 122.820 0.252 0.000 2.687 18 A HA -0.107 4.213 4.320 0.000 0.000 0.299 18 A C 0.187 177.795 177.584 0.040 0.000 1.497 18 A CA 1.024 53.149 52.037 0.146 0.000 0.751 18 A CB -2.566 16.556 19.000 0.205 0.000 1.048 18 A HN 1.238 nan 8.150 nan 0.000 0.464 19 D N -2.389 118.029 120.400 0.031 0.000 2.737 19 D HA -0.126 4.514 4.640 0.000 0.000 0.238 19 D C 1.317 177.608 176.300 -0.014 0.000 1.157 19 D CA 2.460 56.465 54.000 0.008 0.000 0.694 19 D CB -1.504 39.300 40.800 0.007 0.000 1.021 19 D HN 2.358 nan 8.370 nan 0.000 0.420 20 G N 0.052 108.820 108.800 -0.053 0.000 2.155 20 G HA2 -0.413 3.547 3.960 0.000 0.000 0.257 20 G HA3 -0.413 3.547 3.960 0.000 0.000 0.257 20 G C 0.585 175.425 174.900 -0.099 0.000 0.983 20 G CA 1.057 46.108 45.100 -0.082 0.000 0.676 20 G HN 0.673 nan 8.290 nan 0.000 0.528 21 H N 0.194 119.120 119.070 -0.241 0.000 2.544 21 H HA 0.450 5.006 4.556 0.000 0.000 0.269 21 H C 1.435 176.525 175.328 -0.397 0.000 0.970 21 H CA 1.875 57.781 56.048 -0.237 0.000 1.219 21 H CB 0.277 29.941 29.762 -0.163 0.000 1.421 21 H HN 0.662 nan 8.280 nan 0.000 0.555 22 G N -0.608 107.725 108.800 -0.779 0.000 2.619 22 G HA2 0.450 4.410 3.960 0.000 0.000 0.296 22 G HA3 0.450 4.410 3.960 0.000 0.000 0.296 22 G C -1.675 172.735 174.900 -0.816 0.000 1.334 22 G CA -0.826 43.544 45.100 -1.217 0.000 0.934 22 G HN 0.258 nan 8.290 nan 0.000 0.476 23 Q N -0.001 119.606 119.800 -0.321 0.000 2.285 23 Q HA 0.576 4.917 4.340 0.000 0.000 0.269 23 Q C -1.653 174.468 176.000 0.201 0.000 1.030 23 Q CA -0.707 55.085 55.803 -0.019 0.000 0.788 23 Q CB 1.983 30.694 28.738 -0.045 0.000 1.266 23 Q HN 0.582 nan 8.270 nan 0.000 0.438 24 L N 5.239 126.606 121.223 0.240 0.000 2.265 24 L HA 0.551 4.891 4.340 0.000 0.000 0.288 24 L C -1.669 175.263 176.870 0.102 0.000 1.058 24 L CA 0.015 54.967 54.840 0.187 0.000 0.809 24 L CB 0.487 42.637 42.059 0.151 0.000 1.179 24 L HN 0.788 nan 8.230 nan 0.000 0.429 25 L N 5.153 126.426 121.223 0.083 0.000 2.331 25 L HA 0.522 4.862 4.340 0.000 0.000 0.275 25 L C 0.264 177.166 176.870 0.053 0.000 1.022 25 L CA -0.511 54.365 54.840 0.059 0.000 0.812 25 L CB 1.176 43.268 42.059 0.054 0.000 1.257 25 L HN 0.556 nan 8.230 nan 0.000 0.435 26 N N 1.057 119.784 118.700 0.045 0.000 3.040 26 N HA 0.150 4.890 4.740 0.000 0.000 0.305 26 N C -0.599 174.937 175.510 0.044 0.000 1.611 26 N CA -0.012 53.062 53.050 0.041 0.000 1.049 26 N CB 1.391 39.898 38.487 0.033 0.000 1.342 26 N HN 0.580 nan 8.380 nan 0.000 0.497 27 T N -0.310 114.277 114.554 0.055 0.000 2.949 27 T HA 0.199 4.549 4.350 0.000 0.000 0.287 27 T C 0.084 174.832 174.700 0.080 0.000 1.034 27 T CA -0.627 61.510 62.100 0.062 0.000 1.018 27 T CB 1.338 70.244 68.868 0.063 0.000 1.135 27 T HN 0.196 nan 8.240 nan 0.000 0.532 28 N N 1.359 120.111 118.700 0.087 0.000 2.407 28 N HA 0.042 4.782 4.740 0.000 0.000 0.250 28 N C 0.341 175.952 175.510 0.169 0.000 1.236 28 N CA 0.499 53.612 53.050 0.105 0.000 0.879 28 N CB 0.427 38.974 38.487 0.101 0.000 1.088 28 N HN 0.549 nan 8.380 nan 0.000 0.450 29 R N 1.413 121.999 120.500 0.143 0.000 2.566 29 R HA 0.092 4.432 4.340 0.000 0.000 0.388 29 R C 0.164 176.457 176.300 -0.012 0.000 0.989 29 R CA -0.370 55.822 56.100 0.153 0.000 1.164 29 R CB 0.452 30.793 30.300 0.068 0.000 1.459 29 R HN 0.495 nan 8.270 nan 0.000 0.553 30 D N 1.263 121.694 120.400 0.051 0.000 2.203 30 D HA -0.264 4.376 4.640 0.000 0.000 0.199 30 D C 1.662 177.941 176.300 -0.036 0.000 0.997 30 D CA 1.173 55.175 54.000 0.003 0.000 0.863 30 D CB -0.163 40.670 40.800 0.055 0.000 0.928 30 D HN 0.473 nan 8.370 nan 0.000 0.458 31 W N 1.792 123.109 121.300 0.028 0.000 2.341 31 W HA -0.154 4.506 4.660 0.000 0.000 0.283 31 W C 1.053 177.592 176.519 0.033 0.000 1.215 31 W CA 0.751 58.109 57.345 0.022 0.000 1.211 31 W CB -0.802 28.672 29.460 0.022 0.000 1.131 31 W HN 0.072 nan 8.180 nan 0.000 0.552 32 E N 0.847 120.225 120.200 -1.369 0.000 2.331 32 E HA -0.202 4.148 4.350 0.000 0.000 0.199 32 E C 1.510 177.816 176.600 -0.489 0.000 1.008 32 E CA 1.454 57.095 56.400 -1.266 0.000 0.843 32 E CB -0.278 28.905 29.700 -0.862 0.000 0.761 32 E HN 0.179 nan 8.360 nan 0.000 0.507 33 D N 0.176 120.408 120.400 -0.281 0.000 2.218 33 D HA -0.114 4.526 4.640 0.000 0.000 0.204 33 D C 1.970 178.231 176.300 -0.066 0.000 0.976 33 D CA 1.041 54.974 54.000 -0.112 0.000 0.853 33 D CB -0.521 40.247 40.800 -0.054 0.000 0.939 33 D HN 0.301 nan 8.370 nan 0.000 0.481 34 G N -0.236 108.507 108.800 -0.095 0.000 2.513 34 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 34 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 34 G C 1.417 176.248 174.900 -0.116 0.000 1.160 34 G CA 0.741 45.784 45.100 -0.095 0.000 0.767 34 G HN 0.355 nan 8.290 nan 0.000 0.571 35 Y N 0.192 120.494 120.300 0.004 0.000 2.420 35 Y HA 0.153 4.703 4.550 0.000 0.000 0.292 35 Y C 3.094 179.039 175.900 0.075 0.000 1.119 35 Y CA 0.458 58.584 58.100 0.043 0.000 1.229 35 Y CB 0.119 38.586 38.460 0.012 0.000 1.026 35 Y HN 0.025 nan 8.280 nan 0.000 0.554 36 R N 0.235 120.838 120.500 0.172 0.000 2.083 36 R HA -0.225 4.115 4.340 0.000 0.000 0.237 36 R C 1.885 178.314 176.300 0.214 0.000 1.137 36 R CA 1.737 57.942 56.100 0.176 0.000 0.951 36 R CB -0.422 29.927 30.300 0.081 0.000 0.851 36 R HN 0.407 nan 8.270 nan 0.000 0.434 37 Q N -0.225 119.659 119.800 0.140 0.000 2.488 37 Q HA -0.108 4.232 4.340 0.000 0.000 0.211 37 Q C 1.845 177.946 176.000 0.169 0.000 0.967 37 Q CA 0.729 56.607 55.803 0.126 0.000 0.926 37 Q CB 0.143 28.922 28.738 0.069 0.000 0.992 37 Q HN 0.050 nan 8.270 nan 0.000 0.506 38 R N -0.049 120.587 120.500 0.227 0.000 2.090 38 R HA -0.094 4.246 4.340 0.000 0.000 0.219 38 R C 1.633 178.174 176.300 0.401 0.000 1.100 38 R CA 1.109 57.372 56.100 0.272 0.000 0.991 38 R CB -0.762 29.692 30.300 0.255 0.000 0.893 38 R HN 0.480 nan 8.270 nan 0.000 0.443 39 W N 2.046 123.496 121.300 0.250 0.000 2.363 39 W HA -0.065 4.595 4.660 0.000 0.000 0.296 39 W C -0.341 176.521 176.519 0.572 0.000 1.212 39 W CA 0.648 58.197 57.345 0.339 0.000 1.260 39 W CB -0.104 29.465 29.460 0.183 0.000 1.131 39 W HN 0.202 nan 8.180 nan 0.000 0.530 40 Q N 0.950 120.856 119.800 0.176 0.000 2.349 40 Q HA -0.056 4.284 4.340 0.000 0.000 0.287 40 Q C -0.001 175.974 176.000 -0.042 0.000 1.044 40 Q CA 0.952 56.737 55.803 -0.031 0.000 0.918 40 Q CB 0.464 29.216 28.738 0.023 0.000 1.242 40 Q HN 0.228 nan 8.270 nan 0.000 0.405 41 H N -0.282 118.703 119.070 -0.142 0.000 2.960 41 H HA 0.245 4.801 4.556 0.000 0.000 0.338 41 H C -0.626 174.625 175.328 -0.129 0.000 1.261 41 H CA -0.979 54.963 56.048 -0.177 0.000 1.136 41 H CB 0.889 30.485 29.762 -0.277 0.000 1.875 41 H HN 0.476 nan 8.280 nan 0.000 0.550 42 D N 0.018 120.393 120.400 -0.041 0.000 2.162 42 D HA 0.020 4.660 4.640 0.000 0.000 0.203 42 D C 0.442 176.712 176.300 -0.050 0.000 0.967 42 D CA 1.344 55.306 54.000 -0.064 0.000 0.840 42 D CB 0.633 41.401 40.800 -0.053 0.000 0.972 42 D HN 0.626 nan 8.370 nan 0.000 0.482 43 K N -0.708 119.696 120.400 0.007 0.000 2.999 43 K HA 0.373 4.693 4.320 0.000 0.000 0.295 43 K C -1.503 175.038 176.600 -0.099 0.000 1.082 43 K CA -0.906 55.372 56.287 -0.016 0.000 0.816 43 K CB 0.681 33.146 32.500 -0.059 0.000 1.492 43 K HN -0.011 nan 8.250 nan 0.000 0.362 44 I N -1.018 119.439 120.570 -0.188 0.000 2.545 44 I HA 0.734 4.904 4.170 0.000 0.000 0.292 44 I C -1.052 174.926 176.117 -0.231 0.000 1.040 44 I CA -1.238 59.839 61.300 -0.371 0.000 1.068 44 I CB 2.096 39.788 38.000 -0.514 0.000 1.251 44 I HN 0.323 nan 8.210 nan 0.000 0.424 45 V N 5.067 124.850 119.914 -0.218 0.000 2.680 45 V HA 0.507 4.627 4.120 0.000 0.000 0.309 45 V C 0.051 176.069 176.094 -0.126 0.000 1.052 45 V CA -0.721 61.497 62.300 -0.137 0.000 0.908 45 V CB 2.010 33.776 31.823 -0.095 0.000 1.001 45 V HN 0.803 nan 8.190 nan 0.000 0.431 46 R N 2.179 122.623 120.500 -0.093 0.000 2.308 46 R HA 0.648 4.988 4.340 0.000 0.000 0.305 46 R C -0.330 175.971 176.300 0.002 0.000 1.053 46 R CA 0.242 56.301 56.100 -0.069 0.000 0.957 46 R CB 1.062 31.299 30.300 -0.106 0.000 1.022 46 R HN 0.845 nan 8.270 nan 0.000 0.461 47 S N 1.563 117.304 115.700 0.068 0.000 2.615 47 S HA 0.434 4.904 4.470 0.000 0.000 0.269 47 S C -1.181 173.566 174.600 0.244 0.000 1.161 47 S CA -0.492 57.810 58.200 0.170 0.000 0.817 47 S CB 1.978 65.311 63.200 0.221 0.000 1.131 47 S HN 0.701 nan 8.310 nan 0.000 0.467 48 T N -0.250 114.456 114.554 0.254 0.000 2.604 48 T HA 0.615 4.965 4.350 0.000 0.000 0.267 48 T C -1.691 173.038 174.700 0.047 0.000 0.923 48 T CA -0.371 61.817 62.100 0.147 0.000 1.077 48 T CB 0.824 69.833 68.868 0.236 0.000 1.392 48 T HN 0.726 nan 8.240 nan 0.000 0.531 49 H N -0.986 118.032 119.070 -0.087 0.000 2.489 49 H HA 0.501 5.057 4.556 0.000 0.000 0.343 49 H C 0.392 175.021 175.328 -1.164 0.000 1.086 49 H CA -1.003 54.582 56.048 -0.772 0.000 1.198 49 H CB 1.576 30.993 29.762 -0.575 0.000 1.490 49 H HN 0.737 nan 8.280 nan 0.000 0.504 50 G N 2.906 110.456 108.800 -2.083 0.000 3.717 50 G HA2 0.319 4.279 3.960 0.000 0.000 0.258 50 G HA3 0.319 4.279 3.960 0.000 0.000 0.258 50 G C -0.661 173.799 174.900 -0.735 0.000 1.088 50 G CA 0.014 44.454 45.100 -1.100 0.000 1.737 50 G HN 0.394 nan 8.290 nan 0.000 0.648 51 V N 0.694 120.266 119.914 -0.570 0.000 2.914 51 V HA 0.522 4.642 4.120 0.000 0.000 0.314 51 V C -0.813 175.311 176.094 0.051 0.000 1.084 51 V CA -1.378 60.879 62.300 -0.072 0.000 0.963 51 V CB 2.318 34.191 31.823 0.084 0.000 1.025 51 V HN 0.294 nan 8.190 nan 0.000 0.432 52 N N 3.698 122.533 118.700 0.225 0.000 2.605 52 N HA 0.203 4.943 4.740 0.000 0.000 0.258 52 N C 0.314 176.001 175.510 0.295 0.000 1.156 52 N CA 0.501 53.719 53.050 0.279 0.000 1.008 52 N CB -0.092 38.631 38.487 0.394 0.000 1.354 52 N HN 0.844 nan 8.380 nan 0.000 0.509 53 C N -0.012 119.382 119.300 0.156 0.000 4.027 53 C HA 0.365 4.825 4.460 0.000 0.000 0.351 53 C C 1.247 176.283 174.990 0.078 0.000 1.634 53 C CA 0.410 59.496 59.018 0.113 0.000 1.897 53 C CB -0.857 26.944 27.740 0.102 0.000 2.949 53 C HN 0.689 nan 8.230 nan 0.000 0.684 54 T N -1.673 112.913 114.554 0.052 0.000 6.974 54 T HA -0.231 4.119 4.350 0.000 0.000 0.287 54 T C 1.361 176.048 174.700 -0.021 0.000 2.146 54 T CA 2.120 64.215 62.100 -0.009 0.000 3.451 54 T CB -2.392 66.473 68.868 -0.005 0.000 1.630 54 T HN 1.466 nan 8.240 nan 0.000 1.173 55 G N 1.263 110.092 108.800 0.048 0.000 2.552 55 G HA2 0.139 4.099 3.960 0.000 0.000 0.216 55 G HA3 0.139 4.099 3.960 0.000 0.000 0.216 55 G C 0.809 175.803 174.900 0.156 0.000 1.240 55 G CA 1.454 46.617 45.100 0.106 0.000 0.796 55 G HN 2.012 nan 8.290 nan 0.000 0.568 56 S N -1.791 114.018 115.700 0.181 0.000 3.711 56 S HA -0.197 4.273 4.470 0.000 0.000 0.374 56 S C 0.208 175.123 174.600 0.525 0.000 0.969 56 S CA 0.261 58.656 58.200 0.324 0.000 1.198 56 S CB -2.088 61.238 63.200 0.210 0.000 0.903 56 S HN 0.698 nan 8.310 nan 0.000 0.493 57 C N 2.476 121.989 119.300 0.356 0.000 2.341 57 C HA 0.738 5.198 4.460 0.000 0.000 0.338 57 C C 0.970 176.043 174.990 0.138 0.000 1.257 57 C CA -0.651 58.492 59.018 0.209 0.000 1.883 57 C CB 0.988 28.835 27.740 0.178 0.000 2.334 57 C HN 0.776 nan 8.230 nan 0.000 0.524 58 S N 1.360 116.977 115.700 -0.140 0.000 2.489 58 S HA 0.529 4.999 4.470 0.000 0.000 0.277 58 S C -1.013 173.464 174.600 -0.205 0.000 1.230 58 S CA -0.295 57.787 58.200 -0.197 0.000 1.053 58 S CB 0.186 63.048 63.200 -0.562 0.000 0.955 58 S HN 0.644 nan 8.310 nan 0.000 0.488 59 W N 2.951 124.193 121.300 -0.097 0.000 2.736 59 W HA 0.520 5.180 4.660 0.000 0.000 0.355 59 W C -0.168 176.304 176.519 -0.078 0.000 1.102 59 W CA -0.917 56.408 57.345 -0.033 0.000 1.164 59 W CB 1.008 30.508 29.460 0.066 0.000 1.422 59 W HN 0.374 nan 8.180 nan 0.000 0.572 60 K N 2.458 122.994 120.400 0.227 0.000 2.263 60 K HA 0.356 4.676 4.320 0.000 0.000 0.272 60 K C -0.743 175.862 176.600 0.009 0.000 1.033 60 K CA -0.658 55.623 56.287 -0.011 0.000 0.884 60 K CB 0.784 33.221 32.500 -0.104 0.000 1.107 60 K HN 0.089 nan 8.250 nan 0.000 0.460 61 I N 4.271 124.735 120.570 -0.176 0.000 2.325 61 I HA 0.155 4.325 4.170 0.000 0.000 0.291 61 I C -0.135 175.803 176.117 -0.298 0.000 1.019 61 I CA -0.635 60.517 61.300 -0.247 0.000 1.302 61 I CB -0.008 37.732 38.000 -0.433 0.000 1.401 61 I HN 0.467 nan 8.210 nan 0.000 0.485 62 Y N 5.102 125.144 120.300 -0.429 0.000 2.327 62 Y HA 0.391 4.941 4.550 0.000 0.000 0.336 62 Y C 0.410 175.995 175.900 -0.525 0.000 1.035 62 Y CA -0.611 57.095 58.100 -0.656 0.000 1.165 62 Y CB 1.489 39.127 38.460 -1.370 0.000 1.181 62 Y HN 0.225 nan 8.280 nan 0.000 0.494 63 V N 5.061 124.834 119.914 -0.235 0.000 2.459 63 V HA 0.434 4.554 4.120 0.000 0.000 0.295 63 V C -0.473 175.535 176.094 -0.143 0.000 1.029 63 V CA -1.035 61.173 62.300 -0.154 0.000 0.874 63 V CB 1.632 33.401 31.823 -0.091 0.000 0.985 63 V HN 0.678 nan 8.190 nan 0.000 0.438 64 K N 3.829 124.145 120.400 -0.140 0.000 2.513 64 K HA 0.441 4.761 4.320 0.000 0.000 0.251 64 K C -0.029 176.532 176.600 -0.064 0.000 0.939 64 K CA -0.579 55.646 56.287 -0.103 0.000 0.793 64 K CB 1.062 33.466 32.500 -0.161 0.000 1.241 64 K HN 0.551 nan 8.250 nan 0.000 0.431 65 N N 2.354 121.026 118.700 -0.048 0.000 2.747 65 N HA -0.178 4.562 4.740 0.000 0.000 0.249 65 N C 0.348 175.823 175.510 -0.059 0.000 1.107 65 N CA 1.712 54.735 53.050 -0.045 0.000 0.707 65 N CB -1.115 37.348 38.487 -0.039 0.000 1.054 65 N HN 1.059 nan 8.380 nan 0.000 0.555 66 G N -1.737 107.031 108.800 -0.054 0.000 2.179 66 G HA2 -0.291 3.669 3.960 0.000 0.000 0.257 66 G HA3 -0.291 3.669 3.960 0.000 0.000 0.257 66 G C -0.117 174.756 174.900 -0.045 0.000 1.010 66 G CA 0.795 45.865 45.100 -0.050 0.000 0.736 66 G HN 0.473 nan 8.290 nan 0.000 0.513 67 L N -0.980 120.221 121.223 -0.036 0.000 2.393 67 L HA 0.619 4.959 4.340 0.000 0.000 0.260 67 L C 0.433 177.347 176.870 0.073 0.000 1.002 67 L CA -1.502 53.355 54.840 0.029 0.000 0.818 67 L CB 2.236 44.242 42.059 -0.089 0.000 1.369 67 L HN -0.116 nan 8.230 nan 0.000 0.412 68 V N 0.828 120.866 119.914 0.207 0.000 2.470 68 V HA 0.110 4.230 4.120 0.000 0.000 0.276 68 V C 1.031 177.210 176.094 0.141 0.000 1.040 68 V CA 0.631 62.999 62.300 0.115 0.000 1.008 68 V CB 0.986 32.896 31.823 0.145 0.000 0.990 68 V HN 1.066 nan 8.190 nan 0.000 0.477 69 T N 0.353 114.893 114.554 -0.023 0.000 2.999 69 T HA 0.220 4.570 4.350 0.000 0.000 0.247 69 T C 0.028 174.881 174.700 0.255 0.000 1.012 69 T CA 0.142 62.281 62.100 0.065 0.000 1.048 69 T CB 0.365 69.193 68.868 -0.066 0.000 1.020 69 T HN 0.780 nan 8.240 nan 0.000 0.478 70 W N 1.057 122.417 121.300 0.100 0.000 2.882 70 W HA 0.695 5.355 4.660 0.000 0.000 0.382 70 W C -2.195 174.426 176.519 0.170 0.000 1.143 70 W CA -0.934 56.465 57.345 0.089 0.000 1.155 70 W CB 0.396 29.838 29.460 -0.030 0.000 1.466 70 W HN 0.154 nan 8.180 nan 0.000 0.570 71 E N 0.962 121.532 120.200 0.617 0.000 2.383 71 E HA 0.657 5.007 4.350 0.000 0.000 0.275 71 E C -1.195 175.919 176.600 0.856 0.000 0.918 71 E CA -0.774 56.037 56.400 0.686 0.000 0.764 71 E CB 2.140 32.123 29.700 0.471 0.000 1.252 71 E HN 0.779 nan 8.360 nan 0.000 0.449 72 T N -1.029 114.104 114.554 0.965 0.000 2.894 72 T HA 0.425 4.775 4.350 0.000 0.000 0.309 72 T C -0.465 174.432 174.700 0.328 0.000 1.208 72 T CA -0.907 61.603 62.100 0.684 0.000 1.016 72 T CB 1.458 70.658 68.868 0.553 0.000 1.192 72 T HN 0.322 nan 8.240 nan 0.000 0.491 73 Q N 1.836 121.480 119.800 -0.259 0.000 2.361 73 Q HA 0.261 4.601 4.340 0.000 0.000 0.276 73 Q C 0.256 176.094 176.000 -0.270 0.000 1.022 73 Q CA -0.022 55.421 55.803 -0.600 0.000 0.898 73 Q CB 0.387 28.721 28.738 -0.673 0.000 1.246 73 Q HN 0.464 nan 8.270 nan 0.000 0.410 74 Q N 0.808 120.409 119.800 -0.332 0.000 2.327 74 Q HA 0.129 4.469 4.340 0.000 0.000 0.254 74 Q C 0.325 176.139 176.000 -0.309 0.000 0.952 74 Q CA 0.311 55.929 55.803 -0.308 0.000 0.884 74 Q CB 1.196 29.671 28.738 -0.438 0.000 1.224 74 Q HN 0.866 nan 8.270 nan 0.000 0.422 75 T N -2.877 111.533 114.554 -0.239 0.000 3.132 75 T HA 0.026 4.376 4.350 0.000 0.000 0.274 75 T C 0.260 174.853 174.700 -0.178 0.000 1.011 75 T CA -0.275 61.734 62.100 -0.152 0.000 0.899 75 T CB 0.068 68.874 68.868 -0.102 0.000 1.089 75 T HN 0.502 nan 8.240 nan 0.000 0.543 76 D N 0.344 120.550 120.400 -0.324 0.000 2.370 76 D HA 0.050 4.690 4.640 0.000 0.000 0.230 76 D C -0.197 175.874 176.300 -0.383 0.000 1.143 76 D CA -0.731 53.090 54.000 -0.298 0.000 0.834 76 D CB -0.911 39.728 40.800 -0.269 0.000 0.944 76 D HN 0.432 nan 8.370 nan 0.000 0.504 77 Y N 0.836 120.894 120.300 -0.403 0.000 2.683 77 Y HA 0.187 4.737 4.550 0.000 0.000 0.340 77 Y C -1.598 174.012 175.900 -0.484 0.000 1.245 77 Y CA -1.583 56.122 58.100 -0.659 0.000 1.485 77 Y CB -0.195 37.755 38.460 -0.850 0.000 1.328 77 Y HN -0.099 nan 8.280 nan 0.000 0.603 78 P HA 0.066 nan 4.420 nan 0.000 0.267 78 P C -0.648 176.669 177.300 0.029 0.000 1.209 78 P CA 0.062 63.095 63.100 -0.111 0.000 0.763 78 P CB 0.435 32.130 31.700 -0.008 0.000 0.816 79 R N 1.442 121.964 120.500 0.038 0.000 2.590 79 R HA 0.231 4.571 4.340 0.000 0.000 0.274 79 R C 1.160 177.530 176.300 0.117 0.000 1.061 79 R CA 0.065 56.212 56.100 0.078 0.000 1.081 79 R CB 0.024 30.336 30.300 0.020 0.000 0.984 79 R HN 0.487 nan 8.270 nan 0.000 0.448 80 T N 0.096 114.729 114.554 0.131 0.000 2.754 80 T HA 0.206 4.556 4.350 0.000 0.000 0.286 80 T C 0.491 175.208 174.700 0.029 0.000 0.997 80 T CA -0.874 61.283 62.100 0.094 0.000 0.982 80 T CB 0.598 69.505 68.868 0.065 0.000 1.027 80 T HN 0.436 nan 8.240 nan 0.000 0.529 81 R N 1.247 121.752 120.500 0.008 0.000 2.802 81 R HA 0.031 4.371 4.340 0.000 0.000 0.264 81 R C -1.630 174.671 176.300 0.003 0.000 0.996 81 R CA -0.834 55.268 56.100 0.003 0.000 1.123 81 R CB -0.505 29.800 30.300 0.008 0.000 0.996 81 R HN 0.518 nan 8.270 nan 0.000 0.444 82 P HA -0.166 nan 4.420 nan 0.000 0.219 82 P C 0.414 177.722 177.300 0.012 0.000 1.146 82 P CA 1.354 64.459 63.100 0.008 0.000 0.808 82 P CB 0.074 31.784 31.700 0.017 0.000 0.779 83 D N -1.525 118.893 120.400 0.030 0.000 2.340 83 D HA -0.005 4.635 4.640 0.000 0.000 0.220 83 D C 0.280 176.611 176.300 0.051 0.000 1.039 83 D CA 0.345 54.382 54.000 0.063 0.000 0.866 83 D CB -0.154 40.699 40.800 0.088 0.000 0.913 83 D HN 0.193 nan 8.370 nan 0.000 0.523 84 L N 0.829 122.025 121.223 -0.045 0.000 2.354 84 L HA 0.450 4.790 4.340 0.000 0.000 0.269 84 L C -2.387 174.339 176.870 -0.240 0.000 1.005 84 L CA -2.267 52.452 54.840 -0.203 0.000 0.819 84 L CB 2.523 44.520 42.059 -0.103 0.000 1.311 84 L HN -0.257 nan 8.230 nan 0.000 0.423 85 P HA 0.165 nan 4.420 nan 0.000 0.276 85 P C -1.230 176.007 177.300 -0.106 0.000 1.244 85 P CA -0.539 62.417 63.100 -0.240 0.000 0.801 85 P CB 0.837 32.351 31.700 -0.309 0.000 1.006 86 N N 0.483 119.090 118.700 -0.155 0.000 2.405 86 N HA 0.090 4.830 4.740 0.000 0.000 0.269 86 N C 1.256 176.613 175.510 -0.255 0.000 1.249 86 N CA -0.209 52.770 53.050 -0.119 0.000 0.974 86 N CB -0.009 38.436 38.487 -0.069 0.000 1.204 86 N HN 0.486 nan 8.380 nan 0.000 0.565 87 H N -0.488 118.554 119.070 -0.048 0.000 2.415 87 H HA -0.021 4.535 4.556 0.000 0.000 0.297 87 H C -0.055 175.077 175.328 -0.327 0.000 1.048 87 H CA 0.417 56.370 56.048 -0.158 0.000 1.365 87 H CB -0.090 29.486 29.762 -0.309 0.000 1.421 87 H HN 0.641 nan 8.280 nan 0.000 0.533 88 E N 2.933 123.062 120.200 -0.117 0.000 2.534 88 E HA -0.073 4.277 4.350 0.000 0.000 0.264 88 E C -1.785 174.672 176.600 -0.238 0.000 0.981 88 E CA -0.529 55.818 56.400 -0.089 0.000 0.948 88 E CB 0.260 29.940 29.700 -0.033 0.000 0.934 88 E HN 0.248 nan 8.360 nan 0.000 0.459 89 P HA 0.096 nan 4.420 nan 0.000 0.264 89 P C -0.450 176.753 177.300 -0.161 0.000 1.259 89 P CA -0.153 62.859 63.100 -0.147 0.000 0.841 89 P CB 0.414 32.013 31.700 -0.169 0.000 1.232 90 R N -1.318 119.093 120.500 -0.149 0.000 3.819 90 R HA -0.063 4.277 4.340 0.000 0.000 0.488 90 R C 0.634 176.875 176.300 -0.097 0.000 0.241 90 R CA 1.282 57.328 56.100 -0.090 0.000 1.530 90 R CB -2.161 28.082 30.300 -0.095 0.000 1.019 90 R HN 0.471 nan 8.270 nan 0.000 0.557 91 G N -1.323 107.481 108.800 0.007 0.000 2.655 91 G HA2 0.171 4.131 3.960 0.000 0.000 0.680 91 G HA3 0.171 4.131 3.960 0.000 0.000 0.680 91 G C -0.348 174.712 174.900 0.266 0.000 1.302 91 G CA -0.139 45.075 45.100 0.190 0.000 0.872 91 G HN 1.731 nan 8.290 nan 0.000 0.540 92 C N -2.329 117.214 119.300 0.405 0.000 3.259 92 C HA 0.867 5.327 4.460 0.000 0.000 0.344 92 C C -1.296 173.836 174.990 0.235 0.000 1.401 92 C CA 0.067 59.219 59.018 0.225 0.000 1.219 92 C CB 1.074 28.895 27.740 0.134 0.000 1.521 92 C HN 0.914 nan 8.230 nan 0.000 0.455 93 P HA -0.054 nan 4.420 nan 0.000 0.215 93 P C 1.551 178.852 177.300 0.001 0.000 1.157 93 P CA 2.376 65.540 63.100 0.107 0.000 0.863 93 P CB -0.068 31.707 31.700 0.126 0.000 0.787 94 S N 0.410 115.995 115.700 -0.190 0.000 2.353 94 S HA -0.117 4.353 4.470 0.000 0.000 0.222 94 S C 2.378 176.667 174.600 -0.519 0.000 1.035 94 S CA 1.710 59.495 58.200 -0.692 0.000 1.025 94 S CB -1.562 60.882 63.200 -1.261 0.000 0.902 94 S HN 0.357 nan 8.310 nan 0.000 0.440 95 G N 1.523 110.218 108.800 -0.176 0.000 2.513 95 G HA2 -0.197 3.763 3.960 0.000 0.000 0.219 95 G HA3 -0.197 3.763 3.960 0.000 0.000 0.219 95 G C 1.493 176.268 174.900 -0.208 0.000 1.160 95 G CA 1.077 46.182 45.100 0.007 0.000 0.767 95 G HN 0.632 nan 8.290 nan 0.000 0.571 96 A N 0.532 123.333 122.820 -0.033 0.000 2.178 96 A HA 0.136 4.456 4.320 0.000 0.000 0.218 96 A C 2.442 180.090 177.584 0.107 0.000 1.157 96 A CA 2.187 54.243 52.037 0.032 0.000 0.689 96 A CB -0.324 18.864 19.000 0.313 0.000 0.787 96 A HN 0.846 nan 8.150 nan 0.000 0.465 97 S N -2.814 112.957 115.700 0.119 0.000 2.539 97 S HA 0.066 4.536 4.470 0.000 0.000 0.221 97 S C 1.423 176.195 174.600 0.288 0.000 0.987 97 S CA 0.159 58.466 58.200 0.177 0.000 0.929 97 S CB -0.621 62.635 63.200 0.093 0.000 0.832 97 S HN 0.446 nan 8.310 nan 0.000 0.492 98 Y N 4.081 124.504 120.300 0.205 0.000 2.151 98 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 98 Y C 2.604 178.563 175.900 0.098 0.000 1.166 98 Y CA 1.738 59.931 58.100 0.156 0.000 1.163 98 Y CB -0.846 37.513 38.460 -0.169 0.000 0.974 98 Y HN 0.524 nan 8.280 nan 0.000 0.511 99 S N -1.013 114.826 115.700 0.231 0.000 2.413 99 S HA -0.367 4.103 4.470 0.000 0.000 0.237 99 S C 1.822 176.438 174.600 0.027 0.000 1.044 99 S CA 1.514 59.832 58.200 0.196 0.000 1.024 99 S CB -1.739 61.664 63.200 0.339 0.000 0.829 99 S HN 0.744 nan 8.310 nan 0.000 0.475 100 W N 1.584 122.803 121.300 -0.135 0.000 2.325 100 W HA -0.176 4.484 4.660 -0.000 0.000 0.299 100 W C 1.851 178.198 176.519 -0.287 0.000 1.215 100 W CA 1.479 58.710 57.345 -0.190 0.000 1.244 100 W CB -0.612 28.699 29.460 -0.248 0.000 1.140 100 W HN 0.344 nan 8.180 nan 0.000 0.523 101 Y N 0.003 120.142 120.300 -0.268 0.000 2.128 101 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 101 Y C 2.432 177.961 175.900 -0.619 0.000 1.154 101 Y CA 1.587 59.378 58.100 -0.515 0.000 1.149 101 Y CB -1.138 36.906 38.460 -0.693 0.000 0.976 101 Y HN -0.150 nan 8.280 nan 0.000 0.505 102 L N -1.184 119.722 121.223 -0.529 0.000 2.082 102 L HA -0.318 4.022 4.340 0.000 0.000 0.223 102 L C 1.109 177.584 176.870 -0.657 0.000 1.086 102 L CA 2.128 56.551 54.840 -0.695 0.000 0.793 102 L CB -0.918 40.550 42.059 -0.984 0.000 0.896 102 L HN 0.363 nan 8.230 nan 0.000 0.441 103 Y N -2.337 117.905 120.300 -0.095 0.000 2.707 103 Y HA 0.331 4.881 4.550 0.000 0.000 0.249 103 Y C 1.218 176.989 175.900 -0.215 0.000 1.166 103 Y CA -0.332 57.779 58.100 0.018 0.000 1.184 103 Y CB -0.317 38.195 38.460 0.087 0.000 1.240 103 Y HN 0.027 nan 8.280 nan 0.000 0.547 104 S N 0.648 116.085 115.700 -0.438 0.000 2.587 104 S HA 0.280 4.750 4.470 0.000 0.000 0.260 104 S C 1.563 175.922 174.600 -0.401 0.000 1.353 104 S CA -0.064 57.692 58.200 -0.740 0.000 0.995 104 S CB 1.407 63.549 63.200 -1.764 0.000 0.912 104 S HN 0.381 nan 8.310 nan 0.000 0.568 105 A N 0.806 123.450 122.820 -0.293 0.000 2.248 105 A HA 0.050 4.370 4.320 0.000 0.000 0.210 105 A C 1.611 179.130 177.584 -0.108 0.000 1.174 105 A CA 1.229 53.183 52.037 -0.138 0.000 0.750 105 A CB -1.065 17.916 19.000 -0.032 0.000 0.780 105 A HN 0.834 nan 8.150 nan 0.000 0.478 106 N N -0.949 117.681 118.700 -0.117 0.000 2.204 106 N HA 0.108 4.848 4.740 0.000 0.000 0.219 106 N C 0.170 175.646 175.510 -0.057 0.000 1.151 106 N CA -0.268 52.770 53.050 -0.019 0.000 0.867 106 N CB 0.002 38.581 38.487 0.154 0.000 1.043 106 N HN 0.269 nan 8.380 nan 0.000 0.516 107 R N 0.621 121.030 120.500 -0.153 0.000 2.491 107 R HA 0.260 4.600 4.340 0.000 0.000 0.283 107 R C -0.727 175.438 176.300 -0.225 0.000 1.072 107 R CA -0.003 56.005 56.100 -0.154 0.000 1.048 107 R CB 0.146 30.321 30.300 -0.208 0.000 0.983 107 R HN 0.139 nan 8.270 nan 0.000 0.450 108 L N 5.833 126.954 121.223 -0.170 0.000 2.260 108 L HA 0.278 4.618 4.340 0.000 0.000 0.289 108 L C 0.888 177.599 176.870 -0.266 0.000 1.057 108 L CA 0.012 54.721 54.840 -0.219 0.000 0.811 108 L CB 1.259 43.224 42.059 -0.157 0.000 1.184 108 L HN 0.774 nan 8.230 nan 0.000 0.429 109 K N 2.885 122.985 120.400 -0.500 0.000 2.335 109 K HA 0.173 4.493 4.320 0.000 0.000 0.195 109 K C -0.777 175.431 176.600 -0.653 0.000 1.058 109 K CA 0.433 56.295 56.287 -0.708 0.000 0.988 109 K CB 0.558 32.156 32.500 -1.503 0.000 0.880 109 K HN 0.288 nan 8.250 nan 0.000 0.513 110 Y N 0.367 120.583 120.300 -0.140 0.000 2.581 110 Y HA 0.325 4.875 4.550 0.000 0.000 0.345 110 Y C -2.630 173.078 175.900 -0.320 0.000 1.036 110 Y CA -3.680 54.304 58.100 -0.193 0.000 1.042 110 Y CB 0.674 39.038 38.460 -0.159 0.000 1.289 110 Y HN -0.172 nan 8.280 nan 0.000 0.471 111 P HA 0.144 nan 4.420 nan 0.000 0.271 111 P C -0.739 176.412 177.300 -0.248 0.000 1.216 111 P CA 0.287 63.103 63.100 -0.474 0.000 0.771 111 P CB 0.711 31.914 31.700 -0.828 0.000 0.864 112 M N 3.159 122.626 119.600 -0.222 0.000 2.664 112 M HA 0.587 5.067 4.480 0.000 0.000 0.314 112 M C -0.083 176.197 176.300 -0.033 0.000 1.200 112 M CA -0.756 54.467 55.300 -0.129 0.000 0.916 112 M CB 2.088 34.528 32.600 -0.266 0.000 1.717 112 M HN 0.411 nan 8.290 nan 0.000 0.470 113 M N 1.183 120.852 119.600 0.115 0.000 2.433 113 M HA 0.477 4.957 4.480 0.000 0.000 0.290 113 M C -0.956 175.474 176.300 0.217 0.000 1.173 113 M CA -0.805 54.576 55.300 0.136 0.000 0.905 113 M CB 2.758 35.357 32.600 -0.002 0.000 1.692 113 M HN 0.698 nan 8.290 nan 0.000 0.462 114 R N 3.064 123.644 120.500 0.135 0.000 2.502 114 R HA 0.015 4.355 4.340 0.000 0.000 0.292 114 R C 0.875 177.158 176.300 -0.028 0.000 0.998 114 R CA 0.855 56.918 56.100 -0.063 0.000 1.056 114 R CB 0.442 30.696 30.300 -0.076 0.000 0.939 114 R HN 0.771 nan 8.270 nan 0.000 0.411 115 K N 3.288 123.664 120.400 -0.041 0.000 2.034 115 K HA -0.302 4.018 4.320 0.000 0.000 0.214 115 K C 1.630 178.230 176.600 0.000 0.000 1.051 115 K CA 2.063 58.344 56.287 -0.010 0.000 0.931 115 K CB -0.077 32.411 32.500 -0.018 0.000 0.715 115 K HN 0.435 nan 8.250 nan 0.000 0.446 116 R N 0.888 121.389 120.500 0.000 0.000 2.105 116 R HA -0.135 4.205 4.340 0.000 0.000 0.239 116 R C 2.111 178.430 176.300 0.032 0.000 1.135 116 R CA 1.438 57.558 56.100 0.034 0.000 0.967 116 R CB -0.735 29.604 30.300 0.065 0.000 0.861 116 R HN 0.347 nan 8.270 nan 0.000 0.442 117 L N -0.177 121.030 121.223 -0.027 0.000 2.109 117 L HA 0.050 4.390 4.340 0.000 0.000 0.207 117 L C 2.222 179.065 176.870 -0.046 0.000 1.086 117 L CA 1.880 56.612 54.840 -0.179 0.000 0.760 117 L CB -0.470 41.345 42.059 -0.408 0.000 0.910 117 L HN 0.378 nan 8.230 nan 0.000 0.437 118 M N -0.828 118.776 119.600 0.006 0.000 2.132 118 M HA -0.242 4.238 4.480 0.000 0.000 0.263 118 M C 2.338 178.717 176.300 0.131 0.000 1.065 118 M CA 1.881 57.237 55.300 0.093 0.000 1.122 118 M CB -0.207 32.430 32.600 0.063 0.000 1.365 118 M HN 0.292 nan 8.290 nan 0.000 0.411 119 K N 0.306 120.751 120.400 0.075 0.000 2.063 119 K HA -0.171 4.149 4.320 0.000 0.000 0.208 119 K C 1.761 178.408 176.600 0.077 0.000 1.048 119 K CA 1.831 58.156 56.287 0.063 0.000 0.928 119 K CB -0.124 32.399 32.500 0.039 0.000 0.713 119 K HN 0.431 nan 8.250 nan 0.000 0.442 120 M N -0.632 119.022 119.600 0.090 0.000 2.419 120 M HA -0.126 4.354 4.480 0.000 0.000 0.264 120 M C 1.935 178.336 176.300 0.168 0.000 1.082 120 M CA 0.922 56.280 55.300 0.096 0.000 1.119 120 M CB -0.249 32.397 32.600 0.076 0.000 1.398 120 M HN 0.406 nan 8.290 nan 0.000 0.453 121 W N 1.838 123.125 121.300 -0.023 0.000 2.378 121 W HA -0.156 4.504 4.660 -0.000 0.000 0.313 121 W C 1.911 178.440 176.519 0.016 0.000 1.197 121 W CA 1.199 58.547 57.345 0.005 0.000 1.304 121 W CB -0.152 29.307 29.460 -0.001 0.000 1.148 121 W HN 0.098 nan 8.180 nan 0.000 0.494 122 R N 0.291 120.806 120.500 0.026 0.000 2.189 122 R HA -0.115 4.225 4.340 0.000 0.000 0.223 122 R C 1.953 178.193 176.300 -0.100 0.000 1.092 122 R CA 1.464 57.499 56.100 -0.108 0.000 0.989 122 R CB -0.255 30.042 30.300 -0.006 0.000 0.876 122 R HN 0.359 nan 8.270 nan 0.000 0.457 123 E N 0.238 120.414 120.200 -0.039 0.000 2.190 123 E HA -0.011 4.339 4.350 0.000 0.000 0.191 123 E C 1.881 178.463 176.600 -0.030 0.000 0.978 123 E CA 0.694 57.078 56.400 -0.027 0.000 0.839 123 E CB 0.120 29.823 29.700 0.005 0.000 0.787 123 E HN 0.296 nan 8.360 nan 0.000 0.473 124 A N 1.622 124.422 122.820 -0.034 0.000 1.968 124 A HA -0.123 4.197 4.320 0.000 0.000 0.217 124 A C 1.900 179.454 177.584 -0.050 0.000 1.169 124 A CA 1.010 53.052 52.037 0.008 0.000 0.638 124 A CB -0.118 18.884 19.000 0.005 0.000 0.812 124 A HN -0.008 nan 8.150 nan 0.000 0.446 125 K N -0.260 119.979 120.400 -0.267 0.000 2.288 125 K HA 0.079 4.399 4.320 0.000 0.000 0.201 125 K C 1.966 178.471 176.600 -0.159 0.000 1.048 125 K CA 0.776 56.873 56.287 -0.315 0.000 0.956 125 K CB -0.157 32.027 32.500 -0.528 0.000 0.746 125 K HN 0.426 nan 8.250 nan 0.000 0.461 126 A N 0.633 123.380 122.820 -0.122 0.000 2.119 126 A HA -0.005 4.315 4.320 0.000 0.000 0.217 126 A C 1.679 179.204 177.584 -0.098 0.000 1.153 126 A CA 0.907 52.888 52.037 -0.093 0.000 0.692 126 A CB -0.135 18.821 19.000 -0.073 0.000 0.799 126 A HN 0.165 nan 8.150 nan 0.000 0.458 127 L N -1.502 119.657 121.223 -0.107 0.000 2.731 127 L HA 0.234 4.574 4.340 0.000 0.000 0.240 127 L C -0.131 176.426 176.870 -0.521 0.000 1.120 127 L CA -0.046 54.639 54.840 -0.258 0.000 0.913 127 L CB 0.131 42.042 42.059 -0.248 0.000 1.213 127 L HN 0.346 nan 8.230 nan 0.000 0.515 128 H N -0.252 118.775 119.070 -0.073 0.000 3.036 128 H HA 0.154 4.710 4.556 0.000 0.000 0.295 128 H C 0.833 176.119 175.328 -0.069 0.000 1.124 128 H CA 0.074 56.090 56.048 -0.052 0.000 1.507 128 H CB 1.671 31.410 29.762 -0.038 0.000 1.591 128 H HN 0.029 nan 8.280 nan 0.000 0.510 129 S N 1.002 116.713 115.700 0.018 0.000 2.387 129 S HA -0.178 4.292 4.470 0.000 0.000 0.230 129 S C 0.766 175.381 174.600 0.024 0.000 1.035 129 S CA 1.040 59.240 58.200 -0.001 0.000 1.014 129 S CB 0.070 63.268 63.200 -0.003 0.000 0.836 129 S HN 0.511 nan 8.310 nan 0.000 0.466 130 D N 2.920 123.365 120.400 0.076 0.000 2.295 130 D HA 0.260 4.900 4.640 0.000 0.000 0.248 130 D C -1.373 174.980 176.300 0.088 0.000 1.154 130 D CA -2.404 51.658 54.000 0.103 0.000 0.857 130 D CB 1.716 42.617 40.800 0.168 0.000 1.117 130 D HN 0.081 nan 8.370 nan 0.000 0.468 131 P HA -0.149 nan 4.420 nan 0.000 0.218 131 P C 1.580 179.007 177.300 0.212 0.000 1.148 131 P CA 0.505 63.673 63.100 0.114 0.000 0.822 131 P CB 0.478 32.296 31.700 0.197 0.000 0.784 132 V N 0.947 120.929 119.914 0.113 0.000 2.343 132 V HA -0.212 3.908 4.120 0.000 0.000 0.247 132 V C 2.464 178.657 176.094 0.165 0.000 1.051 132 V CA 2.036 64.384 62.300 0.080 0.000 1.036 132 V CB -1.397 30.232 31.823 -0.325 0.000 0.654 132 V HN 0.144 nan 8.190 nan 0.000 0.451 133 E N -0.023 120.246 120.200 0.114 0.000 2.274 133 E HA -0.035 4.315 4.350 0.000 0.000 0.194 133 E C 2.212 178.692 176.600 -0.201 0.000 0.996 133 E CA 0.957 57.379 56.400 0.037 0.000 0.840 133 E CB -0.261 29.515 29.700 0.126 0.000 0.772 133 E HN 0.615 nan 8.360 nan 0.000 0.491 134 A N 1.141 123.923 122.820 -0.064 0.000 1.897 134 A HA -0.150 4.170 4.320 0.000 0.000 0.215 134 A C 1.888 179.513 177.584 0.069 0.000 1.181 134 A CA 0.702 52.664 52.037 -0.124 0.000 0.620 134 A CB -0.849 18.031 19.000 -0.200 0.000 0.821 134 A HN 0.562 nan 8.150 nan 0.000 0.443 135 W N 0.887 122.245 121.300 0.097 0.000 2.358 135 W HA -0.169 4.491 4.660 0.000 0.000 0.303 135 W C 2.235 178.608 176.519 -0.244 0.000 1.208 135 W CA 1.688 59.060 57.345 0.046 0.000 1.274 135 W CB -0.179 29.276 29.460 -0.008 0.000 1.138 135 W HN 0.425 nan 8.180 nan 0.000 0.515 136 A N 1.204 123.827 122.820 -0.328 0.000 1.883 136 A HA -0.320 4.000 4.320 0.000 0.000 0.217 136 A C 2.062 179.437 177.584 -0.349 0.000 1.186 136 A CA 3.148 54.917 52.037 -0.446 0.000 0.624 136 A CB -1.489 17.510 19.000 -0.001 0.000 0.822 136 A HN 0.437 nan 8.150 nan 0.000 0.444 137 S N -0.337 115.172 115.700 -0.318 0.000 2.419 137 S HA -0.116 4.354 4.470 0.000 0.000 0.235 137 S C 1.752 176.235 174.600 -0.195 0.000 1.019 137 S CA 1.608 59.658 58.200 -0.248 0.000 0.982 137 S CB -0.630 62.373 63.200 -0.328 0.000 0.789 137 S HN 0.519 nan 8.310 nan 0.000 0.490 138 I N -0.353 120.050 120.570 -0.280 0.000 2.556 138 I HA 0.146 4.316 4.170 0.000 0.000 0.251 138 I C 2.226 178.129 176.117 -0.356 0.000 1.105 138 I CA 0.387 61.532 61.300 -0.258 0.000 1.436 138 I CB -0.211 37.645 38.000 -0.241 0.000 1.139 138 I HN 0.236 nan 8.210 nan 0.000 0.438 139 I N 1.274 121.435 120.570 -0.682 0.000 2.493 139 I HA -0.204 3.966 4.170 0.000 0.000 0.254 139 I C 1.936 177.895 176.117 -0.263 0.000 1.160 139 I CA 1.681 62.630 61.300 -0.587 0.000 1.445 139 I CB -0.350 37.062 38.000 -0.982 0.000 1.086 139 I HN 0.165 nan 8.210 nan 0.000 0.433 140 E N -0.442 119.633 120.200 -0.207 0.000 2.489 140 E HA -0.039 4.311 4.350 0.000 0.000 0.193 140 E C 0.164 176.741 176.600 -0.039 0.000 1.057 140 E CA -0.027 56.344 56.400 -0.048 0.000 0.866 140 E CB 0.043 29.748 29.700 0.009 0.000 0.916 140 E HN 0.311 nan 8.360 nan 0.000 0.500 141 D N 0.015 120.372 120.400 -0.072 0.000 2.329 141 D HA 0.205 4.845 4.640 0.000 0.000 0.232 141 D C 0.651 176.926 176.300 -0.042 0.000 1.088 141 D CA -0.229 53.745 54.000 -0.043 0.000 0.835 141 D CB 1.573 42.347 40.800 -0.043 0.000 1.078 141 D HN -0.003 nan 8.370 nan 0.000 0.495 142 A N 4.223 127.026 122.820 -0.028 0.000 1.933 142 A HA -0.170 4.150 4.320 0.000 0.000 0.218 142 A C 1.542 179.101 177.584 -0.042 0.000 1.175 142 A CA 1.275 53.291 52.037 -0.034 0.000 0.628 142 A CB -0.052 18.934 19.000 -0.022 0.000 0.814 142 A HN 0.624 nan 8.150 nan 0.000 0.444 143 D N -0.575 119.808 120.400 -0.028 0.000 2.277 143 D HA -0.040 4.600 4.640 0.000 0.000 0.208 143 D C 1.810 178.101 176.300 -0.014 0.000 0.962 143 D CA 0.925 54.911 54.000 -0.024 0.000 0.865 143 D CB -0.074 40.718 40.800 -0.014 0.000 0.939 143 D HN 0.518 nan 8.370 nan 0.000 0.510 144 K N 0.992 121.388 120.400 -0.006 0.000 2.021 144 K HA 0.069 4.389 4.320 0.000 0.000 0.205 144 K C 2.267 178.907 176.600 0.067 0.000 1.047 144 K CA 0.781 57.090 56.287 0.036 0.000 0.943 144 K CB -0.035 32.477 32.500 0.020 0.000 0.725 144 K HN -0.064 nan 8.250 nan 0.000 0.439 145 A N 2.268 125.081 122.820 -0.012 0.000 1.892 145 A HA -0.278 4.042 4.320 0.000 0.000 0.218 145 A C 2.097 179.473 177.584 -0.346 0.000 1.188 145 A CA 2.024 53.983 52.037 -0.129 0.000 0.631 145 A CB -0.515 18.398 19.000 -0.144 0.000 0.822 145 A HN 0.246 nan 8.150 nan 0.000 0.447 146 K N 0.097 120.379 120.400 -0.197 0.000 2.097 146 K HA -0.154 4.167 4.320 0.000 0.000 0.206 146 K C 2.290 178.793 176.600 -0.162 0.000 1.049 146 K CA 1.679 57.851 56.287 -0.192 0.000 0.933 146 K CB -0.203 32.231 32.500 -0.110 0.000 0.717 146 K HN 0.653 nan 8.250 nan 0.000 0.442 147 S N 0.345 116.002 115.700 -0.071 0.000 2.399 147 S HA -0.176 4.294 4.470 0.000 0.000 0.231 147 S C 1.810 176.436 174.600 0.043 0.000 1.022 147 S CA 1.145 59.342 58.200 -0.004 0.000 0.983 147 S CB -0.624 62.603 63.200 0.045 0.000 0.803 147 S HN 0.533 nan 8.310 nan 0.000 0.480 148 F N 0.797 120.729 119.950 -0.030 0.000 2.656 148 F HA 0.535 5.062 4.527 0.000 0.000 0.291 148 F C 1.800 177.587 175.800 -0.022 0.000 1.122 148 F CA -0.410 57.574 58.000 -0.028 0.000 1.427 148 F CB -0.081 38.913 39.000 -0.009 0.000 1.125 148 F HN -0.030 nan 8.300 nan 0.000 0.583 149 K N 0.484 120.491 120.400 -0.653 0.000 2.217 149 K HA -0.057 4.263 4.320 0.000 0.000 0.202 149 K C 1.671 178.168 176.600 -0.173 0.000 1.051 149 K CA 1.116 57.138 56.287 -0.443 0.000 0.952 149 K CB -0.203 31.997 32.500 -0.499 0.000 0.736 149 K HN 0.417 nan 8.250 nan 0.000 0.453 150 Q N -0.549 119.164 119.800 -0.144 0.000 2.360 150 Q HA 0.130 4.471 4.340 0.000 0.000 0.202 150 Q C 1.212 177.176 176.000 -0.061 0.000 0.915 150 Q CA -0.049 55.703 55.803 -0.083 0.000 0.943 150 Q CB 0.606 29.296 28.738 -0.080 0.000 1.064 150 Q HN 0.264 nan 8.270 nan 0.000 0.511 151 A N 0.083 122.871 122.820 -0.053 0.000 2.220 151 A HA 0.122 4.442 4.320 0.000 0.000 0.211 151 A C 0.458 177.976 177.584 -0.110 0.000 1.176 151 A CA -0.205 51.792 52.037 -0.067 0.000 0.834 151 A CB 0.239 19.218 19.000 -0.034 0.000 0.868 151 A HN 0.122 nan 8.150 nan 0.000 0.488 152 R N -0.194 120.271 120.500 -0.059 0.000 2.502 152 R HA 0.296 4.636 4.340 0.000 0.000 0.292 152 R C 1.223 177.403 176.300 -0.199 0.000 0.998 152 R CA 0.912 56.977 56.100 -0.057 0.000 1.056 152 R CB -0.090 30.263 30.300 0.088 0.000 0.939 152 R HN 0.666 nan 8.270 nan 0.000 0.411 153 G N 2.728 111.232 108.800 -0.493 0.000 2.148 153 G HA2 -0.284 3.676 3.960 0.000 0.000 0.254 153 G HA3 -0.284 3.676 3.960 0.000 0.000 0.254 153 G C 0.431 175.044 174.900 -0.478 0.000 0.981 153 G CA -0.131 44.365 45.100 -1.007 0.000 0.670 153 G HN 0.529 nan 8.290 nan 0.000 0.528 154 R N 0.099 120.412 120.500 -0.312 0.000 2.700 154 R HA 0.484 4.824 4.340 0.000 0.000 0.399 154 R C 1.250 177.434 176.300 -0.192 0.000 1.115 154 R CA 0.547 56.529 56.100 -0.197 0.000 1.058 154 R CB -0.016 30.204 30.300 -0.134 0.000 1.389 154 R HN 1.625 nan 8.270 nan 0.000 0.582 155 G N -0.280 108.371 108.800 -0.248 0.000 2.741 155 G HA2 -0.117 3.843 3.960 0.000 0.000 0.222 155 G HA3 -0.117 3.843 3.960 0.000 0.000 0.222 155 G C 0.493 175.205 174.900 -0.313 0.000 1.364 155 G CA 0.123 45.091 45.100 -0.220 0.000 0.866 155 G HN 0.630 nan 8.290 nan 0.000 0.555 156 G N -2.419 106.265 108.800 -0.193 0.000 2.131 156 G HA2 0.039 3.999 3.960 0.000 0.000 0.223 156 G HA3 0.039 3.999 3.960 0.000 0.000 0.223 156 G C 0.339 175.151 174.900 -0.148 0.000 0.990 156 G CA 0.685 45.688 45.100 -0.163 0.000 0.671 156 G HN 1.567 nan 8.290 nan 0.000 0.521 157 F N 0.688 120.625 119.950 -0.022 0.000 2.495 157 F HA 0.501 5.028 4.527 0.000 0.000 0.365 157 F C 1.052 176.838 175.800 -0.024 0.000 1.090 157 F CA -0.147 57.838 58.000 -0.025 0.000 1.235 157 F CB 1.329 40.312 39.000 -0.028 0.000 1.119 157 F HN 0.381 nan 8.300 nan 0.000 0.562 158 V N 1.741 121.771 119.914 0.194 0.000 2.914 158 V HA 0.600 4.720 4.120 0.000 0.000 0.314 158 V C -0.281 175.844 176.094 0.051 0.000 1.084 158 V CA -1.536 60.816 62.300 0.087 0.000 0.963 158 V CB 1.740 33.590 31.823 0.045 0.000 1.025 158 V HN 0.730 nan 8.190 nan 0.000 0.432 159 R N 2.111 122.613 120.500 0.003 0.000 2.489 159 R HA 0.504 4.844 4.340 0.000 0.000 0.287 159 R C 0.237 176.497 176.300 -0.067 0.000 1.053 159 R CA 0.592 56.663 56.100 -0.049 0.000 1.036 159 R CB 0.737 30.959 30.300 -0.129 0.000 0.966 159 R HN 1.080 nan 8.270 nan 0.000 0.432 160 S N 1.693 117.339 115.700 -0.091 0.000 2.993 160 S HA 0.646 5.116 4.470 0.000 0.000 0.281 160 S C -1.158 173.366 174.600 -0.127 0.000 1.033 160 S CA -0.185 57.963 58.200 -0.087 0.000 0.950 160 S CB 1.062 64.209 63.200 -0.089 0.000 1.349 160 S HN 0.776 nan 8.310 nan 0.000 0.652 161 S N -1.204 114.425 115.700 -0.119 0.000 2.579 161 S HA 0.436 4.906 4.470 0.000 0.000 0.272 161 S C -0.268 174.274 174.600 -0.097 0.000 1.141 161 S CA -0.779 57.355 58.200 -0.110 0.000 0.843 161 S CB 0.197 63.393 63.200 -0.006 0.000 1.122 161 S HN 0.811 nan 8.310 nan 0.000 0.468 162 W N 0.862 122.170 121.300 0.014 0.000 2.350 162 W HA -0.070 4.590 4.660 0.000 0.000 0.289 162 W C 2.727 179.239 176.519 -0.011 0.000 1.215 162 W CA 1.321 58.661 57.345 -0.008 0.000 1.236 162 W CB -0.068 29.386 29.460 -0.011 0.000 1.130 162 W HN 0.822 nan 8.180 nan 0.000 0.541 163 Q N 0.546 120.476 119.800 0.217 0.000 2.050 163 Q HA -0.276 4.064 4.340 0.000 0.000 0.202 163 Q C 2.166 178.243 176.000 0.128 0.000 0.980 163 Q CA 1.972 57.860 55.803 0.141 0.000 0.840 163 Q CB -0.279 28.523 28.738 0.105 0.000 0.898 163 Q HN 0.390 nan 8.270 nan 0.000 0.424 164 E N -0.505 119.764 120.200 0.115 0.000 2.051 164 E HA -0.177 4.173 4.350 0.000 0.000 0.192 164 E C 1.994 178.646 176.600 0.088 0.000 0.991 164 E CA 1.704 58.194 56.400 0.151 0.000 0.799 164 E CB 0.038 29.818 29.700 0.133 0.000 0.748 164 E HN 0.361 nan 8.360 nan 0.000 0.449 165 V N -0.247 119.666 119.914 -0.002 0.000 2.548 165 V HA -0.149 3.972 4.120 0.000 0.000 0.249 165 V C 1.805 177.878 176.094 -0.036 0.000 1.055 165 V CA 1.766 64.016 62.300 -0.084 0.000 1.065 165 V CB -0.690 31.058 31.823 -0.125 0.000 0.681 165 V HN 0.157 nan 8.190 nan 0.000 0.462 166 N N 0.891 119.627 118.700 0.061 0.000 2.166 166 N HA -0.175 4.565 4.740 0.000 0.000 0.186 166 N C 1.928 177.461 175.510 0.038 0.000 1.019 166 N CA 1.997 55.081 53.050 0.057 0.000 0.856 166 N CB -0.302 38.233 38.487 0.080 0.000 0.993 166 N HN 0.831 nan 8.380 nan 0.000 0.426 167 E N 0.712 120.958 120.200 0.078 0.000 2.072 167 E HA -0.082 4.268 4.350 0.000 0.000 0.190 167 E C 2.094 178.750 176.600 0.094 0.000 0.982 167 E CA 0.386 56.866 56.400 0.133 0.000 0.803 167 E CB -0.097 29.744 29.700 0.235 0.000 0.755 167 E HN 0.247 nan 8.360 nan 0.000 0.453 168 L N 0.783 121.957 121.223 -0.082 0.000 2.083 168 L HA -0.152 4.188 4.340 0.000 0.000 0.209 168 L C 2.299 178.841 176.870 -0.546 0.000 1.083 168 L CA 1.016 55.462 54.840 -0.657 0.000 0.752 168 L CB -0.110 41.208 42.059 -1.235 0.000 0.899 168 L HN 0.270 nan 8.230 nan 0.000 0.433 169 I N -0.438 119.948 120.570 -0.305 0.000 2.202 169 I HA -0.244 3.926 4.170 0.000 0.000 0.242 169 I C 2.740 178.823 176.117 -0.056 0.000 1.091 169 I CA 1.026 62.205 61.300 -0.202 0.000 1.368 169 I CB -0.499 37.489 38.000 -0.020 0.000 1.058 169 I HN 0.299 nan 8.210 nan 0.000 0.410 170 A N 0.875 123.722 122.820 0.045 0.000 1.877 170 A HA -0.176 4.144 4.320 0.000 0.000 0.216 170 A C 2.557 180.200 177.584 0.099 0.000 1.186 170 A CA 1.919 54.078 52.037 0.204 0.000 0.620 170 A CB -0.925 18.180 19.000 0.175 0.000 0.822 170 A HN 0.421 nan 8.150 nan 0.000 0.443 171 A N -0.673 122.145 122.820 -0.003 0.000 1.883 171 A HA -0.167 4.153 4.320 0.000 0.000 0.217 171 A C 2.527 180.030 177.584 -0.134 0.000 1.186 171 A CA 2.446 54.479 52.037 -0.007 0.000 0.624 171 A CB -1.148 17.952 19.000 0.166 0.000 0.822 171 A HN 0.651 nan 8.150 nan 0.000 0.444 172 S N -0.168 115.224 115.700 -0.514 0.000 2.370 172 S HA -0.225 4.245 4.470 0.000 0.000 0.226 172 S C 1.863 176.332 174.600 -0.218 0.000 1.033 172 S CA 1.814 59.448 58.200 -0.945 0.000 1.011 172 S CB -0.756 61.542 63.200 -1.504 0.000 0.852 172 S HN 0.737 nan 8.310 nan 0.000 0.457 173 N N -0.016 118.666 118.700 -0.031 0.000 2.084 173 N HA -0.092 4.648 4.740 0.000 0.000 0.190 173 N C 1.745 177.398 175.510 0.239 0.000 1.030 173 N CA 1.450 54.607 53.050 0.180 0.000 0.849 173 N CB -0.215 38.487 38.487 0.358 0.000 1.012 173 N HN 0.220 nan 8.380 nan 0.000 0.423 174 V N 0.875 120.918 119.914 0.216 0.000 2.255 174 V HA -0.282 3.838 4.120 0.000 0.000 0.247 174 V C 1.948 178.084 176.094 0.069 0.000 1.051 174 V CA 1.714 64.053 62.300 0.066 0.000 1.018 174 V CB -0.782 30.958 31.823 -0.138 0.000 0.641 174 V HN 0.366 nan 8.190 nan 0.000 0.445 175 Y N 1.480 121.793 120.300 0.021 0.000 2.128 175 Y HA -0.304 4.246 4.550 0.000 0.000 0.284 175 Y C 2.669 178.688 175.900 0.198 0.000 1.154 175 Y CA 2.464 60.642 58.100 0.129 0.000 1.149 175 Y CB -0.707 37.957 38.460 0.340 0.000 0.976 175 Y HN 0.246 nan 8.280 nan 0.000 0.505 176 T N 1.231 116.029 114.554 0.408 0.000 2.746 176 T HA -0.189 4.161 4.350 0.000 0.000 0.267 176 T C 1.960 176.764 174.700 0.173 0.000 1.039 176 T CA 2.038 64.335 62.100 0.328 0.000 1.142 176 T CB -0.436 68.590 68.868 0.264 0.000 0.866 176 T HN 0.379 nan 8.240 nan 0.000 0.444 177 I N 0.724 121.352 120.570 0.097 0.000 2.252 177 I HA -0.127 4.043 4.170 0.000 0.000 0.245 177 I C 2.626 178.725 176.117 -0.030 0.000 1.102 177 I CA 1.198 62.516 61.300 0.030 0.000 1.385 177 I CB -0.316 37.666 38.000 -0.029 0.000 1.064 177 I HN 0.172 nan 8.210 nan 0.000 0.414 178 K N 1.316 121.669 120.400 -0.078 0.000 2.057 178 K HA -0.171 4.149 4.320 0.000 0.000 0.206 178 K C 1.612 178.116 176.600 -0.161 0.000 1.050 178 K CA 2.041 58.261 56.287 -0.112 0.000 0.935 178 K CB -0.020 32.418 32.500 -0.104 0.000 0.715 178 K HN 0.286 nan 8.250 nan 0.000 0.439 179 N N -1.464 117.082 118.700 -0.256 0.000 2.405 179 N HA 0.008 4.748 4.740 0.000 0.000 0.175 179 N C 0.617 175.810 175.510 -0.528 0.000 1.051 179 N CA 0.741 53.531 53.050 -0.432 0.000 0.899 179 N CB 0.307 38.373 38.487 -0.701 0.000 1.000 179 N HN 0.202 nan 8.380 nan 0.000 0.451 180 Y N -1.112 119.119 120.300 -0.115 0.000 2.701 180 Y HA 0.491 5.041 4.550 0.000 0.000 0.275 180 Y C 0.993 176.866 175.900 -0.045 0.000 1.133 180 Y CA 0.200 58.258 58.100 -0.069 0.000 1.241 180 Y CB 0.990 39.410 38.460 -0.066 0.000 1.389 180 Y HN -0.063 nan 8.280 nan 0.000 0.486 181 G N -0.043 108.828 108.800 0.119 0.000 2.312 181 G HA2 0.056 4.016 3.960 0.000 0.000 0.347 181 G HA3 0.056 4.016 3.960 0.000 0.000 0.347 181 G C -2.557 172.389 174.900 0.077 0.000 1.564 181 G CA -0.609 44.535 45.100 0.074 0.000 0.981 181 G HN -0.223 nan 8.290 nan 0.000 0.678 182 P HA -0.060 nan 4.420 nan 0.000 0.216 182 P C 1.039 178.376 177.300 0.062 0.000 1.150 182 P CA 1.837 64.983 63.100 0.077 0.000 0.837 182 P CB -0.067 31.701 31.700 0.112 0.000 0.786 183 D N -0.893 119.542 120.400 0.058 0.000 2.348 183 D HA -0.089 4.551 4.640 0.000 0.000 0.248 183 D C 1.230 177.568 176.300 0.064 0.000 1.142 183 D CA 0.283 54.318 54.000 0.057 0.000 0.904 183 D CB -0.620 40.215 40.800 0.058 0.000 0.901 183 D HN 0.075 nan 8.370 nan 0.000 0.523 184 R N -0.583 119.950 120.500 0.055 0.000 2.397 184 R HA 0.307 4.647 4.340 0.000 0.000 0.241 184 R C -0.443 175.883 176.300 0.043 0.000 0.914 184 R CA -0.095 56.015 56.100 0.017 0.000 1.071 184 R CB 0.894 31.189 30.300 -0.009 0.000 1.116 184 R HN 0.038 nan 8.270 nan 0.000 0.524 185 V N 0.370 120.333 119.914 0.080 0.000 2.495 185 V HA 0.848 4.968 4.120 0.000 0.000 0.298 185 V C -0.362 175.821 176.094 0.149 0.000 1.031 185 V CA -0.899 61.471 62.300 0.117 0.000 0.871 185 V CB 1.596 33.495 31.823 0.127 0.000 0.988 185 V HN 0.194 nan 8.190 nan 0.000 0.432 186 A N 3.239 126.185 122.820 0.210 0.000 2.566 186 A HA 1.014 5.334 4.320 0.000 0.000 0.292 186 A C -0.281 177.542 177.584 0.398 0.000 1.112 186 A CA -0.228 51.951 52.037 0.237 0.000 0.707 186 A CB 2.173 21.275 19.000 0.170 0.000 1.302 186 A HN 1.209 nan 8.150 nan 0.000 0.409 187 G N -0.799 108.252 108.800 0.419 0.000 2.638 187 G HA2 0.612 4.572 3.960 0.000 0.000 0.302 187 G HA3 0.612 4.572 3.960 0.000 0.000 0.302 187 G C -1.807 173.431 174.900 0.563 0.000 1.365 187 G CA -0.401 45.093 45.100 0.656 0.000 0.987 187 G HN 1.001 nan 8.290 nan 0.000 0.495 188 F N 1.875 122.100 119.950 0.458 0.000 2.507 188 F HA 0.759 5.286 4.527 0.000 0.000 0.328 188 F C -0.257 175.481 175.800 -0.103 0.000 1.136 188 F CA -0.674 57.474 58.000 0.247 0.000 0.930 188 F CB 2.299 41.516 39.000 0.361 0.000 1.166 188 F HN 0.495 nan 8.300 nan 0.000 0.436 189 S N 7.829 122.953 115.700 -0.959 0.000 2.543 189 S HA 0.682 5.152 4.470 0.000 0.000 0.271 189 S C -3.006 171.225 174.600 -0.614 0.000 1.148 189 S CA -1.037 56.537 58.200 -1.044 0.000 0.914 189 S CB 2.258 64.154 63.200 -2.173 0.000 1.096 189 S HN 0.516 nan 8.310 nan 0.000 0.471 190 P HA 0.535 nan 4.420 nan 0.000 0.319 190 P C -0.556 176.236 177.300 -0.847 0.000 1.291 190 P CA -0.662 62.020 63.100 -0.696 0.000 0.817 190 P CB 0.332 31.932 31.700 -0.167 0.000 1.349 191 I N 0.173 119.859 120.570 -1.473 0.000 2.753 191 I HA -0.185 3.985 4.170 0.000 0.000 0.126 191 I C -0.958 174.833 176.117 -0.542 0.000 0.885 191 I CA 0.410 61.219 61.300 -0.818 0.000 2.786 191 I CB -1.654 36.199 38.000 -0.246 0.000 0.574 191 I HN 0.418 nan 8.210 nan 0.000 0.352 192 P HA -0.125 nan 4.420 nan 0.000 0.223 192 P C 1.446 178.458 177.300 -0.481 0.000 1.151 192 P CA 1.640 64.376 63.100 -0.607 0.000 0.787 192 P CB 0.341 31.377 31.700 -1.107 0.000 0.788 193 A N 1.685 124.225 122.820 -0.467 0.000 1.986 193 A HA -0.197 4.123 4.320 0.000 0.000 0.220 193 A C 2.300 179.736 177.584 -0.247 0.000 1.171 193 A CA 2.363 54.185 52.037 -0.358 0.000 0.640 193 A CB -1.530 17.292 19.000 -0.296 0.000 0.811 193 A HN 0.352 nan 8.150 nan 0.000 0.451 194 M N -1.256 118.225 119.600 -0.199 0.000 2.476 194 M HA 0.033 4.513 4.480 0.000 0.000 0.262 194 M C 0.425 176.642 176.300 -0.138 0.000 1.079 194 M CA 1.612 56.815 55.300 -0.161 0.000 1.104 194 M CB -0.173 32.346 32.600 -0.134 0.000 1.409 194 M HN 0.559 nan 8.290 nan 0.000 0.467 195 S N -1.012 114.641 115.700 -0.080 0.000 2.891 195 S HA 0.352 4.822 4.470 0.000 0.000 0.141 195 S C 0.162 174.828 174.600 0.111 0.000 0.993 195 S CA -0.757 57.459 58.200 0.027 0.000 1.051 195 S CB -0.660 62.597 63.200 0.096 0.000 1.657 195 S HN 0.453 nan 8.310 nan 0.000 0.482 196 M N 0.595 120.211 119.600 0.027 0.000 2.147 196 M HA -0.190 4.290 4.480 0.000 0.000 0.253 196 M C 1.920 178.450 176.300 0.384 0.000 1.075 196 M CA 2.455 57.808 55.300 0.089 0.000 1.085 196 M CB -0.721 31.886 32.600 0.012 0.000 1.305 196 M HN 0.571 nan 8.290 nan 0.000 0.409 197 V N -1.073 119.005 119.914 0.274 0.000 2.591 197 V HA -0.152 3.968 4.120 0.000 0.000 0.249 197 V C 2.289 178.658 176.094 0.457 0.000 1.053 197 V CA 1.729 64.199 62.300 0.283 0.000 1.068 197 V CB -0.395 31.441 31.823 0.021 0.000 0.689 197 V HN 0.417 nan 8.190 nan 0.000 0.462 198 S N -0.875 115.086 115.700 0.436 0.000 2.399 198 S HA -0.206 4.264 4.470 0.000 0.000 0.231 198 S C 1.840 176.876 174.600 0.726 0.000 1.022 198 S CA 1.786 60.312 58.200 0.543 0.000 0.983 198 S CB -0.356 63.125 63.200 0.468 0.000 0.803 198 S HN 0.743 nan 8.310 nan 0.000 0.480 199 Y N 2.159 122.772 120.300 0.522 0.000 2.206 199 Y HA 0.126 4.676 4.550 0.000 0.000 0.292 199 Y C 2.336 178.599 175.900 0.605 0.000 1.123 199 Y CA 0.738 59.174 58.100 0.560 0.000 1.142 199 Y CB -0.909 37.749 38.460 0.330 0.000 1.006 199 Y HN 0.174 nan 8.280 nan 0.000 0.518 200 A N 0.289 123.579 122.820 0.782 0.000 1.986 200 A HA -0.253 4.067 4.320 0.000 0.000 0.220 200 A C 2.452 180.226 177.584 0.318 0.000 1.171 200 A CA 2.419 54.735 52.037 0.465 0.000 0.640 200 A CB -1.450 17.769 19.000 0.366 0.000 0.811 200 A HN 0.673 nan 8.150 nan 0.000 0.451 201 S N -0.294 115.677 115.700 0.452 0.000 2.365 201 S HA -0.099 4.371 4.470 0.000 0.000 0.221 201 S C 2.074 176.531 174.600 -0.239 0.000 1.037 201 S CA 1.722 60.099 58.200 0.294 0.000 1.060 201 S CB -1.451 62.022 63.200 0.455 0.000 0.974 201 S HN 0.764 nan 8.310 nan 0.000 0.427 202 G N 1.240 109.520 108.800 -0.867 0.000 2.394 202 G HA2 0.194 4.154 3.960 0.000 0.000 0.215 202 G HA3 0.194 4.154 3.960 0.000 0.000 0.215 202 G C 1.726 176.251 174.900 -0.625 0.000 1.165 202 G CA 0.833 44.763 45.100 -1.950 0.000 0.784 202 G HN 0.843 nan 8.290 nan 0.000 0.535 203 A N 0.696 123.455 122.820 -0.102 0.000 1.940 203 A HA -0.058 4.262 4.320 0.000 0.000 0.219 203 A C 2.303 179.891 177.584 0.008 0.000 1.176 203 A CA 1.931 54.002 52.037 0.057 0.000 0.631 203 A CB -0.439 18.617 19.000 0.095 0.000 0.814 203 A HN 0.372 nan 8.150 nan 0.000 0.446 204 R N -1.984 118.495 120.500 -0.036 0.000 2.066 204 R HA -0.168 4.172 4.340 0.000 0.000 0.232 204 R C 2.146 178.485 176.300 0.065 0.000 1.131 204 R CA 1.832 57.916 56.100 -0.027 0.000 0.955 204 R CB -0.532 29.671 30.300 -0.162 0.000 0.851 204 R HN 0.647 nan 8.270 nan 0.000 0.432 205 Y N 1.040 121.332 120.300 -0.012 0.000 2.145 205 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 205 Y C 1.886 177.656 175.900 -0.218 0.000 1.145 205 Y CA 1.761 59.777 58.100 -0.139 0.000 1.148 205 Y CB -0.227 37.992 38.460 -0.400 0.000 0.981 205 Y HN 0.054 nan 8.280 nan 0.000 0.507 206 L N -0.621 120.430 121.223 -0.287 0.000 2.042 206 L HA -0.261 4.079 4.340 0.000 0.000 0.210 206 L C 2.590 179.336 176.870 -0.207 0.000 1.076 206 L CA 1.577 56.248 54.840 -0.281 0.000 0.749 206 L CB -0.692 41.324 42.059 -0.072 0.000 0.893 206 L HN 0.204 nan 8.230 nan 0.000 0.432 207 S N 0.019 115.652 115.700 -0.112 0.000 2.356 207 S HA -0.145 4.325 4.470 0.000 0.000 0.223 207 S C 1.967 176.488 174.600 -0.132 0.000 1.032 207 S CA 1.181 59.329 58.200 -0.087 0.000 1.005 207 S CB -0.331 62.870 63.200 0.002 0.000 0.867 207 S HN 0.265 nan 8.310 nan 0.000 0.449 208 L N 1.504 122.632 121.223 -0.158 0.000 2.013 208 L HA -0.124 4.216 4.340 0.000 0.000 0.212 208 L C 2.179 178.899 176.870 -0.250 0.000 1.073 208 L CA 1.339 56.063 54.840 -0.193 0.000 0.753 208 L CB -0.687 41.263 42.059 -0.183 0.000 0.890 208 L HN 0.451 nan 8.230 nan 0.000 0.432 209 I N -3.406 116.981 120.570 -0.305 0.000 3.564 209 I HA 0.266 4.436 4.170 0.000 0.000 0.294 209 I C 1.371 177.496 176.117 0.013 0.000 1.289 209 I CA 0.660 61.889 61.300 -0.119 0.000 1.325 209 I CB -0.390 37.375 38.000 -0.392 0.000 1.039 209 I HN 0.315 nan 8.210 nan 0.000 0.474 210 G N 1.117 109.870 108.800 -0.079 0.000 2.176 210 G HA2 -0.226 3.734 3.960 0.000 0.000 0.253 210 G HA3 -0.226 3.734 3.960 0.000 0.000 0.253 210 G C 0.634 175.516 174.900 -0.030 0.000 0.979 210 G CA -0.120 44.960 45.100 -0.033 0.000 0.641 210 G HN 0.852 nan 8.290 nan 0.000 0.530 211 G N -0.166 108.601 108.800 -0.054 0.000 2.667 211 G HA2 0.572 4.532 3.960 0.000 0.000 0.250 211 G HA3 0.572 4.532 3.960 0.000 0.000 0.250 211 G C 0.608 175.499 174.900 -0.014 0.000 1.212 211 G CA 0.928 46.022 45.100 -0.011 0.000 0.874 211 G HN 1.453 nan 8.290 nan 0.000 0.561 212 T N -2.578 111.987 114.554 0.018 0.000 2.856 212 T HA 0.355 4.705 4.350 0.000 0.000 0.292 212 T C -0.180 174.535 174.700 0.024 0.000 0.980 212 T CA -0.763 61.327 62.100 -0.017 0.000 1.091 212 T CB 0.886 69.733 68.868 -0.036 0.000 0.936 212 T HN 0.405 nan 8.240 nan 0.000 0.503 213 C N 5.491 124.794 119.300 0.005 0.000 2.239 213 C HA 0.480 4.940 4.460 0.000 0.000 0.323 213 C C 0.603 175.746 174.990 0.255 0.000 1.205 213 C CA -1.000 58.114 59.018 0.160 0.000 1.584 213 C CB -1.382 26.453 27.740 0.158 0.000 2.201 213 C HN 0.840 nan 8.230 nan 0.000 0.475 214 L N 3.685 125.066 121.223 0.264 0.000 2.417 214 L HA 0.339 4.679 4.340 0.000 0.000 0.268 214 L C 1.054 178.193 176.870 0.448 0.000 1.158 214 L CA 0.271 55.267 54.840 0.261 0.000 0.819 214 L CB 0.709 42.890 42.059 0.204 0.000 1.112 214 L HN 0.769 nan 8.230 nan 0.000 0.458 215 S N 0.849 116.749 115.700 0.333 0.000 2.655 215 S HA 0.428 4.898 4.470 0.000 0.000 0.265 215 S C 0.214 174.792 174.600 -0.036 0.000 1.240 215 S CA -0.358 57.748 58.200 -0.157 0.000 0.986 215 S CB 1.029 64.094 63.200 -0.225 0.000 0.985 215 S HN 0.595 nan 8.310 nan 0.000 0.562 216 F N -3.370 116.500 119.950 -0.132 0.000 2.665 216 F HA 0.367 4.894 4.527 0.000 0.000 0.328 216 F C 1.677 177.371 175.800 -0.176 0.000 0.848 216 F CA -0.595 57.275 58.000 -0.218 0.000 1.071 216 F CB -0.615 38.139 39.000 -0.410 0.000 0.906 216 F HN 0.565 nan 8.300 nan 0.000 0.654 217 Y N 3.424 123.419 120.300 -0.508 0.000 2.165 217 Y HA -0.146 4.404 4.550 0.000 0.000 0.286 217 Y C 2.161 178.040 175.900 -0.035 0.000 1.155 217 Y CA 2.240 60.272 58.100 -0.114 0.000 1.164 217 Y CB -0.517 37.814 38.460 -0.214 0.000 0.978 217 Y HN 0.338 nan 8.280 nan 0.000 0.513 218 D N -1.496 118.858 120.400 -0.078 0.000 2.137 218 D HA -0.259 4.381 4.640 0.000 0.000 0.202 218 D C 2.370 178.711 176.300 0.069 0.000 0.970 218 D CA 1.198 55.139 54.000 -0.098 0.000 0.837 218 D CB -1.846 38.913 40.800 -0.068 0.000 0.981 218 D HN 0.632 nan 8.370 nan 0.000 0.475 219 W N 0.615 121.899 121.300 -0.026 0.000 2.325 219 W HA -0.278 4.382 4.660 -0.000 0.000 0.299 219 W C 0.801 177.449 176.519 0.215 0.000 1.215 219 W CA 0.848 58.259 57.345 0.109 0.000 1.244 219 W CB -0.095 29.486 29.460 0.202 0.000 1.140 219 W HN -0.091 nan 8.180 nan 0.000 0.523 220 Y N -0.141 120.137 120.300 -0.036 0.000 2.546 220 Y HA 0.070 4.620 4.550 0.000 0.000 0.287 220 Y C 1.926 177.639 175.900 -0.311 0.000 1.158 220 Y CA 0.070 58.030 58.100 -0.233 0.000 1.307 220 Y CB -1.272 37.207 38.460 0.032 0.000 1.036 220 Y HN 0.043 nan 8.280 nan 0.000 0.532 221 C N 1.362 120.575 119.300 -0.145 0.000 4.588 221 C HA -0.198 4.262 4.460 0.000 0.000 0.295 221 C C 1.142 176.062 174.990 -0.118 0.000 1.316 221 C CA 0.529 59.375 59.018 -0.288 0.000 2.041 221 C CB -1.937 25.422 27.740 -0.636 0.000 1.224 221 C HN 0.500 nan 8.230 nan 0.000 0.779 222 D N -0.313 119.972 120.400 -0.192 0.000 2.338 222 D HA 0.180 4.820 4.640 0.000 0.000 0.208 222 D C 0.661 176.526 176.300 -0.725 0.000 0.997 222 D CA 0.273 54.131 54.000 -0.236 0.000 0.880 222 D CB -0.025 40.711 40.800 -0.107 0.000 0.980 222 D HN 0.630 nan 8.370 nan 0.000 0.509 223 L N 3.373 123.934 121.223 -1.102 0.000 2.418 223 L HA 0.255 4.595 4.340 0.000 0.000 0.274 223 L C -2.535 174.051 176.870 -0.473 0.000 1.135 223 L CA -1.075 53.245 54.840 -0.867 0.000 0.870 223 L CB 0.447 42.193 42.059 -0.521 0.000 1.154 223 L HN -0.212 nan 8.230 nan 0.000 0.462 224 P HA 0.340 nan 4.420 nan 0.000 0.266 224 P C -2.486 174.614 177.300 -0.333 0.000 1.567 224 P CA -1.983 60.833 63.100 -0.474 0.000 1.077 224 P CB 1.323 32.663 31.700 -0.600 0.000 1.396 225 P HA -0.266 nan 4.420 nan 0.000 0.218 225 P C 1.554 178.789 177.300 -0.109 0.000 1.150 225 P CA 2.049 64.987 63.100 -0.270 0.000 0.841 225 P CB -0.254 31.119 31.700 -0.544 0.000 0.784 226 A N -0.934 121.775 122.820 -0.186 0.000 1.986 226 A HA -0.251 4.069 4.320 0.000 0.000 0.220 226 A C 2.501 179.875 177.584 -0.351 0.000 1.171 226 A CA 2.277 54.182 52.037 -0.221 0.000 0.640 226 A CB -1.626 17.260 19.000 -0.190 0.000 0.811 226 A HN 0.230 nan 8.150 nan 0.000 0.451 227 S N -0.145 115.385 115.700 -0.284 0.000 2.343 227 S HA -0.074 4.396 4.470 0.000 0.000 0.219 227 S C -0.242 174.305 174.600 -0.089 0.000 1.033 227 S CA 1.605 59.684 58.200 -0.201 0.000 1.014 227 S CB -0.915 62.328 63.200 0.071 0.000 0.915 227 S HN 0.409 nan 8.310 nan 0.000 0.435 228 P HA -0.063 nan 4.420 nan 0.000 0.216 228 P C 1.398 178.659 177.300 -0.064 0.000 1.150 228 P CA 1.211 64.223 63.100 -0.147 0.000 0.837 228 P CB -0.073 31.349 31.700 -0.463 0.000 0.786 229 Q N -1.331 118.406 119.800 -0.104 0.000 2.050 229 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 229 Q C 1.892 177.724 176.000 -0.281 0.000 0.980 229 Q CA 2.065 57.828 55.803 -0.067 0.000 0.840 229 Q CB -0.664 28.023 28.738 -0.085 0.000 0.898 229 Q HN 0.244 nan 8.270 nan 0.000 0.424 230 T N -1.211 113.036 114.554 -0.512 0.000 2.976 230 T HA -0.030 4.320 4.350 0.000 0.000 0.257 230 T C 0.735 174.952 174.700 -0.806 0.000 1.051 230 T CA 0.638 62.237 62.100 -0.835 0.000 1.141 230 T CB 0.068 68.073 68.868 -1.439 0.000 0.881 230 T HN 0.395 nan 8.240 nan 0.000 0.461 231 W N 0.091 121.263 121.300 -0.214 0.000 2.741 231 W HA 0.460 5.120 4.660 0.000 0.000 0.317 231 W C 1.461 178.100 176.519 0.199 0.000 1.029 231 W CA -0.057 57.246 57.345 -0.071 0.000 1.511 231 W CB -0.263 29.204 29.460 0.012 0.000 1.025 231 W HN 0.395 nan 8.180 nan 0.000 0.554 232 G N 2.029 111.033 108.800 0.341 0.000 2.176 232 G HA2 -0.291 3.669 3.960 0.000 0.000 0.252 232 G HA3 -0.291 3.669 3.960 0.000 0.000 0.252 232 G C -0.332 174.967 174.900 0.665 0.000 1.024 232 G CA 0.731 46.117 45.100 0.476 0.000 0.755 232 G HN 0.193 nan 8.290 nan 0.000 0.507 233 E N -0.349 120.193 120.200 0.571 0.000 2.224 233 E HA 0.552 4.902 4.350 0.000 0.000 0.265 233 E C 1.102 177.953 176.600 0.417 0.000 0.878 233 E CA -0.248 56.494 56.400 0.570 0.000 0.759 233 E CB 1.139 31.135 29.700 0.494 0.000 1.164 233 E HN 0.219 nan 8.360 nan 0.000 0.414 234 Q N 2.805 122.867 119.800 0.437 0.000 2.029 234 Q HA -0.102 4.238 4.340 0.000 0.000 0.209 234 Q C -0.429 175.781 176.000 0.350 0.000 0.999 234 Q CA 1.914 57.864 55.803 0.244 0.000 0.857 234 Q CB 0.082 29.014 28.738 0.323 0.000 0.926 234 Q HN 0.557 nan 8.270 nan 0.000 0.415 235 T N 0.397 115.201 114.554 0.417 0.000 4.045 235 T HA 0.190 4.540 4.350 0.000 0.000 0.399 235 T C -2.176 172.794 174.700 0.449 0.000 1.270 235 T CA -0.683 61.721 62.100 0.508 0.000 1.126 235 T CB 1.464 70.645 68.868 0.521 0.000 1.272 235 T HN 0.284 nan 8.240 nan 0.000 0.472 236 D N 2.351 123.033 120.400 0.470 0.000 2.970 236 D HA 0.608 5.248 4.640 0.000 0.000 0.230 236 D C -0.756 175.737 176.300 0.320 0.000 1.276 236 D CA -0.245 53.984 54.000 0.382 0.000 0.910 236 D CB 1.900 42.960 40.800 0.433 0.000 1.590 236 D HN 0.505 nan 8.370 nan 0.000 0.551 237 V N 0.749 120.800 119.914 0.228 0.000 3.130 237 V HA 0.818 4.938 4.120 0.000 0.000 0.310 237 V C -2.787 173.465 176.094 0.263 0.000 1.158 237 V CA -2.069 60.321 62.300 0.150 0.000 1.029 237 V CB 2.064 33.810 31.823 -0.127 0.000 1.057 237 V HN 0.345 nan 8.190 nan 0.000 0.436 238 P HA 0.260 nan 4.420 nan 0.000 0.274 238 P C -0.540 176.920 177.300 0.266 0.000 1.231 238 P CA -0.034 63.252 63.100 0.309 0.000 0.790 238 P CB 0.598 32.452 31.700 0.256 0.000 0.951 239 E N 0.053 120.322 120.200 0.115 0.000 2.374 239 E HA 0.126 4.476 4.350 0.000 0.000 0.260 239 E C 1.147 177.464 176.600 -0.473 0.000 1.101 239 E CA -0.660 55.641 56.400 -0.166 0.000 0.907 239 E CB 0.217 29.777 29.700 -0.233 0.000 1.014 239 E HN 0.351 nan 8.360 nan 0.000 0.427 240 S N 1.811 116.980 115.700 -0.885 0.000 2.383 240 S HA -0.285 4.185 4.470 0.000 0.000 0.229 240 S C 2.038 175.602 174.600 -1.726 0.000 1.030 240 S CA 0.940 58.007 58.200 -1.887 0.000 1.002 240 S CB -0.702 61.533 63.200 -1.607 0.000 0.829 240 S HN 0.664 nan 8.310 nan 0.000 0.467 241 A N 2.047 124.003 122.820 -1.440 0.000 1.940 241 A HA -0.166 4.154 4.320 0.000 0.000 0.219 241 A C 1.954 179.175 177.584 -0.606 0.000 1.176 241 A CA 1.899 53.090 52.037 -1.410 0.000 0.631 241 A CB -1.173 17.357 19.000 -0.783 0.000 0.814 241 A HN 0.549 nan 8.150 nan 0.000 0.446 242 D N -1.490 118.684 120.400 -0.376 0.000 2.263 242 D HA -0.155 4.485 4.640 0.000 0.000 0.208 242 D C 1.496 177.873 176.300 0.127 0.000 0.971 242 D CA 0.895 54.853 54.000 -0.070 0.000 0.867 242 D CB -0.181 40.627 40.800 0.014 0.000 0.929 242 D HN 0.614 nan 8.370 nan 0.000 0.492 243 W N -0.229 121.041 121.300 -0.050 0.000 2.350 243 W HA -0.119 4.541 4.660 0.000 0.000 0.289 243 W C 1.804 178.339 176.519 0.026 0.000 1.215 243 W CA 0.271 57.630 57.345 0.024 0.000 1.236 243 W CB -1.595 27.908 29.460 0.072 0.000 1.130 243 W HN 0.166 nan 8.180 nan 0.000 0.541 244 Y N 1.292 121.665 120.300 0.122 0.000 2.616 244 Y HA -0.141 4.409 4.550 0.000 0.000 0.296 244 Y C 1.146 177.074 175.900 0.047 0.000 1.154 244 Y CA 1.377 59.526 58.100 0.083 0.000 1.325 244 Y CB -0.484 38.025 38.460 0.082 0.000 1.007 244 Y HN -0.045 nan 8.280 nan 0.000 0.542 245 N N -1.403 117.370 118.700 0.122 0.000 2.236 245 N HA 0.028 4.768 4.740 0.000 0.000 0.196 245 N C -0.200 175.327 175.510 0.028 0.000 1.114 245 N CA -0.055 53.034 53.050 0.066 0.000 0.859 245 N CB 0.476 39.009 38.487 0.076 0.000 0.982 245 N HN -0.083 nan 8.380 nan 0.000 0.493 246 S N -0.148 115.565 115.700 0.022 0.000 2.541 246 S HA 0.272 4.742 4.470 0.000 0.000 0.283 246 S C 0.979 175.545 174.600 -0.057 0.000 1.196 246 S CA -0.751 57.453 58.200 0.007 0.000 1.062 246 S CB 0.780 64.008 63.200 0.046 0.000 1.009 246 S HN 0.291 nan 8.310 nan 0.000 0.502 247 S N 3.356 119.036 115.700 -0.035 0.000 2.539 247 S HA 0.295 4.765 4.470 0.000 0.000 0.221 247 S C -0.368 174.244 174.600 0.020 0.000 0.987 247 S CA -0.295 57.883 58.200 -0.037 0.000 0.929 247 S CB -0.117 63.074 63.200 -0.014 0.000 0.832 247 S HN 0.727 nan 8.310 nan 0.000 0.492 248 Y N 0.521 120.746 120.300 -0.126 0.000 2.313 248 Y HA 0.567 5.117 4.550 0.000 0.000 0.320 248 Y C -1.598 174.269 175.900 -0.056 0.000 1.171 248 Y CA -1.021 57.015 58.100 -0.106 0.000 1.093 248 Y CB 1.080 39.447 38.460 -0.156 0.000 1.224 248 Y HN 0.146 nan 8.280 nan 0.000 0.421 249 I N 6.755 127.241 120.570 -0.140 0.000 2.608 249 I HA 0.532 4.702 4.170 0.000 0.000 0.295 249 I C -0.943 175.225 176.117 0.085 0.000 1.049 249 I CA -0.936 60.381 61.300 0.028 0.000 1.063 249 I CB 2.392 40.342 38.000 -0.084 0.000 1.248 249 I HN 0.440 nan 8.210 nan 0.000 0.424 250 I N 4.490 125.195 120.570 0.226 0.000 2.418 250 I HA 0.467 4.637 4.170 0.000 0.000 0.287 250 I C 0.032 176.239 176.117 0.150 0.000 1.008 250 I CA -0.618 60.788 61.300 0.178 0.000 1.104 250 I CB 1.987 40.116 38.000 0.214 0.000 1.264 250 I HN 0.620 nan 8.210 nan 0.000 0.438 251 A N 7.307 130.174 122.820 0.079 0.000 2.366 251 A HA 0.293 4.613 4.320 0.000 0.000 0.322 251 A C -1.039 176.581 177.584 0.059 0.000 1.397 251 A CA -0.304 51.727 52.037 -0.008 0.000 0.984 251 A CB 0.059 18.940 19.000 -0.199 0.000 1.149 251 A HN 0.734 nan 8.150 nan 0.000 0.540 252 W N 2.692 123.956 121.300 -0.059 0.000 2.291 252 W HA 0.453 5.113 4.660 0.000 0.000 0.312 252 W C 0.852 177.350 176.519 -0.034 0.000 1.061 252 W CA 0.314 57.637 57.345 -0.038 0.000 1.296 252 W CB 0.900 30.331 29.460 -0.047 0.000 1.223 252 W HN 1.365 nan 8.180 nan 0.000 0.421 253 G N 3.446 112.437 108.800 0.319 0.000 2.249 253 G HA2 -0.244 3.716 3.960 0.000 0.000 0.273 253 G HA3 -0.244 3.716 3.960 0.000 0.000 0.273 253 G C -0.025 174.922 174.900 0.077 0.000 1.036 253 G CA 0.713 45.937 45.100 0.207 0.000 0.824 253 G HN 0.664 nan 8.290 nan 0.000 0.504 254 S N -0.646 115.064 115.700 0.016 0.000 2.779 254 S HA 0.500 4.970 4.470 0.000 0.000 0.293 254 S C -0.084 174.435 174.600 -0.135 0.000 1.150 254 S CA -0.639 57.524 58.200 -0.062 0.000 1.057 254 S CB 0.841 64.001 63.200 -0.066 0.000 1.021 254 S HN 0.320 nan 8.310 nan 0.000 0.485 255 N N 4.852 123.471 118.700 -0.136 0.000 3.303 255 N HA 0.154 4.894 4.740 0.000 0.000 0.304 255 N C 1.450 176.836 175.510 -0.205 0.000 1.302 255 N CA -0.217 52.727 53.050 -0.177 0.000 1.213 255 N CB -0.256 38.147 38.487 -0.140 0.000 1.481 255 N HN 0.456 nan 8.380 nan 0.000 0.546 256 V N 2.191 121.939 119.914 -0.276 0.000 2.242 256 V HA -0.266 3.854 4.120 0.000 0.000 0.257 256 V C -0.446 175.531 176.094 -0.194 0.000 1.073 256 V CA 2.198 64.330 62.300 -0.281 0.000 1.058 256 V CB -1.394 30.102 31.823 -0.545 0.000 0.664 256 V HN 0.526 nan 8.190 nan 0.000 0.451 257 P HA -0.202 nan 4.420 nan 0.000 0.222 257 P C 1.524 178.737 177.300 -0.144 0.000 1.147 257 P CA 1.801 64.812 63.100 -0.148 0.000 0.790 257 P CB 0.117 31.724 31.700 -0.156 0.000 0.780 258 Q N 0.068 119.763 119.800 -0.175 0.000 2.390 258 Q HA 0.002 4.342 4.340 0.000 0.000 0.216 258 Q C 1.622 177.530 176.000 -0.154 0.000 0.916 258 Q CA 1.326 57.008 55.803 -0.201 0.000 0.911 258 Q CB 0.153 28.738 28.738 -0.255 0.000 1.035 258 Q HN 0.213 nan 8.270 nan 0.000 0.541 259 T N -2.912 111.571 114.554 -0.118 0.000 3.054 259 T HA 0.316 4.666 4.350 0.000 0.000 0.255 259 T C 0.924 175.595 174.700 -0.047 0.000 1.035 259 T CA -0.280 61.775 62.100 -0.075 0.000 0.941 259 T CB 0.454 69.275 68.868 -0.078 0.000 1.026 259 T HN -0.067 nan 8.240 nan 0.000 0.533 260 R N 0.513 120.985 120.500 -0.047 0.000 2.617 260 R HA 0.392 4.732 4.340 0.000 0.000 0.432 260 R C 1.329 177.635 176.300 0.011 0.000 1.018 260 R CA 0.080 56.173 56.100 -0.012 0.000 1.077 260 R CB -0.883 29.428 30.300 0.020 0.000 1.394 260 R HN 0.227 nan 8.270 nan 0.000 0.608 261 T N 1.251 115.800 114.554 -0.008 0.000 2.594 261 T HA -0.177 4.173 4.350 0.000 0.000 0.266 261 T C -1.055 173.671 174.700 0.044 0.000 1.070 261 T CA 2.016 64.119 62.100 0.005 0.000 1.166 261 T CB -0.681 68.183 68.868 -0.005 0.000 0.862 261 T HN 0.336 nan 8.240 nan 0.000 0.436 262 P HA -0.047 nan 4.420 nan 0.000 0.226 262 P C 0.391 177.746 177.300 0.091 0.000 1.146 262 P CA 1.195 64.339 63.100 0.074 0.000 0.773 262 P CB 0.008 31.759 31.700 0.085 0.000 0.772 263 D N -1.027 119.409 120.400 0.059 0.000 2.441 263 D HA 0.164 4.804 4.640 0.000 0.000 0.210 263 D C 1.897 178.233 176.300 0.060 0.000 1.102 263 D CA 0.180 54.185 54.000 0.009 0.000 0.840 263 D CB 0.209 40.919 40.800 -0.150 0.000 0.990 263 D HN 0.042 nan 8.370 nan 0.000 0.505 264 A N 1.706 124.600 122.820 0.123 0.000 1.917 264 A HA -0.281 4.039 4.320 0.000 0.000 0.219 264 A C 1.940 179.611 177.584 0.144 0.000 1.182 264 A CA 2.159 54.296 52.037 0.167 0.000 0.633 264 A CB -1.229 17.810 19.000 0.065 0.000 0.819 264 A HN 0.488 nan 8.150 nan 0.000 0.448 265 H N -2.832 116.246 119.070 0.014 0.000 2.426 265 H HA -0.119 4.437 4.556 0.000 0.000 0.298 265 H C 1.590 176.904 175.328 -0.023 0.000 1.107 265 H CA 1.740 57.739 56.048 -0.082 0.000 1.298 265 H CB -0.838 28.770 29.762 -0.257 0.000 1.377 265 H HN 0.476 nan 8.280 nan 0.000 0.519 266 F N -0.688 118.925 119.950 -0.561 0.000 2.216 266 F HA -0.094 4.433 4.527 0.000 0.000 0.300 266 F C 2.157 178.112 175.800 0.259 0.000 1.085 266 F CA 0.997 58.907 58.000 -0.150 0.000 1.326 266 F CB -0.288 38.560 39.000 -0.252 0.000 1.027 266 F HN 0.221 nan 8.300 nan 0.000 0.497 267 F N 0.985 121.144 119.950 0.348 0.000 2.149 267 F HA -0.152 4.375 4.527 0.000 0.000 0.294 267 F C 2.780 178.582 175.800 0.003 0.000 1.095 267 F CA 1.741 59.844 58.000 0.172 0.000 1.276 267 F CB -0.764 38.270 39.000 0.057 0.000 1.023 267 F HN -0.060 nan 8.300 nan 0.000 0.480 268 T N -2.591 112.069 114.554 0.177 0.000 2.951 268 T HA -0.117 4.233 4.350 0.000 0.000 0.268 268 T C 1.621 176.123 174.700 -0.331 0.000 1.073 268 T CA 1.565 63.635 62.100 -0.051 0.000 1.134 268 T CB -0.462 68.401 68.868 -0.007 0.000 0.884 268 T HN 0.401 nan 8.240 nan 0.000 0.479 269 E N 0.378 120.493 120.200 -0.143 0.000 2.122 269 E HA 0.091 4.441 4.350 0.000 0.000 0.190 269 E C 2.243 178.832 176.600 -0.018 0.000 0.977 269 E CA 0.465 56.800 56.400 -0.109 0.000 0.820 269 E CB -0.167 29.652 29.700 0.198 0.000 0.770 269 E HN 0.282 nan 8.360 nan 0.000 0.462 270 V N 1.342 121.244 119.914 -0.020 0.000 2.867 270 V HA -0.250 3.870 4.120 0.000 0.000 0.260 270 V C 1.893 177.781 176.094 -0.343 0.000 1.099 270 V CA 1.596 63.662 62.300 -0.390 0.000 1.122 270 V CB -0.306 31.316 31.823 -0.335 0.000 0.708 270 V HN 0.167 nan 8.190 nan 0.000 0.490 271 R N -1.074 119.223 120.500 -0.338 0.000 2.096 271 R HA -0.129 4.211 4.340 0.000 0.000 0.235 271 R C 2.055 178.325 176.300 -0.049 0.000 1.127 271 R CA 1.830 57.771 56.100 -0.264 0.000 0.968 271 R CB -0.372 29.745 30.300 -0.305 0.000 0.861 271 R HN 0.569 nan 8.270 nan 0.000 0.440 272 Y N 0.624 120.890 120.300 -0.057 0.000 2.639 272 Y HA -0.052 4.498 4.550 0.000 0.000 0.297 272 Y C 1.825 177.699 175.900 -0.042 0.000 1.151 272 Y CA 0.397 58.483 58.100 -0.024 0.000 1.335 272 Y CB -0.335 38.141 38.460 0.026 0.000 0.994 272 Y HN -0.010 nan 8.280 nan 0.000 0.548 273 K N -0.526 119.890 120.400 0.025 0.000 2.393 273 K HA 0.211 4.531 4.320 0.000 0.000 0.193 273 K C 1.174 177.739 176.600 -0.059 0.000 1.026 273 K CA 0.741 56.995 56.287 -0.055 0.000 1.064 273 K CB 0.086 32.432 32.500 -0.256 0.000 0.833 273 K HN 0.328 nan 8.250 nan 0.000 0.521 274 G N 0.410 109.182 108.800 -0.047 0.000 2.184 274 G HA2 -0.190 3.770 3.960 0.000 0.000 0.206 274 G HA3 -0.190 3.770 3.960 0.000 0.000 0.206 274 G C 0.042 174.896 174.900 -0.076 0.000 0.995 274 G CA 0.073 45.148 45.100 -0.041 0.000 0.651 274 G HN 0.303 nan 8.290 nan 0.000 0.511 275 T N 1.372 115.842 114.554 -0.141 0.000 2.901 275 T HA 0.429 4.779 4.350 0.000 0.000 0.301 275 T C 0.395 174.954 174.700 -0.236 0.000 1.012 275 T CA 0.486 62.473 62.100 -0.188 0.000 1.135 275 T CB 1.502 70.213 68.868 -0.260 0.000 0.936 275 T HN 0.475 nan 8.240 nan 0.000 0.539 276 K N 2.392 122.615 120.400 -0.294 0.000 2.143 276 K HA 0.445 4.765 4.320 0.000 0.000 0.272 276 K C -0.102 176.171 176.600 -0.545 0.000 1.001 276 K CA -0.640 55.415 56.287 -0.386 0.000 0.915 276 K CB 0.687 32.941 32.500 -0.410 0.000 1.047 276 K HN 0.731 nan 8.250 nan 0.000 0.458 277 T N -0.465 113.861 114.554 -0.381 0.000 2.863 277 T HA 0.566 4.916 4.350 0.000 0.000 0.285 277 T C -0.761 173.855 174.700 -0.140 0.000 1.009 277 T CA -0.852 61.073 62.100 -0.292 0.000 0.989 277 T CB 1.556 70.253 68.868 -0.285 0.000 1.004 277 T HN 0.207 nan 8.240 nan 0.000 0.455 278 V N 1.599 121.479 119.914 -0.057 0.000 2.577 278 V HA 0.776 4.896 4.120 0.000 0.000 0.303 278 V C 0.065 176.162 176.094 0.006 0.000 1.042 278 V CA -1.061 61.230 62.300 -0.016 0.000 0.872 278 V CB 1.524 33.335 31.823 -0.020 0.000 0.998 278 V HN 1.335 nan 8.190 nan 0.000 0.423 279 A N 4.227 127.055 122.820 0.014 0.000 2.292 279 A HA 0.843 5.163 4.320 0.000 0.000 0.319 279 A C -0.666 176.911 177.584 -0.013 0.000 1.206 279 A CA -0.508 51.526 52.037 -0.006 0.000 0.835 279 A CB 1.361 20.348 19.000 -0.021 0.000 1.164 279 A HN 0.785 nan 8.150 nan 0.000 0.505 280 V N 3.303 123.149 119.914 -0.113 0.000 2.340 280 V HA 0.573 4.693 4.120 0.000 0.000 0.277 280 V C -0.082 176.005 176.094 -0.011 0.000 1.017 280 V CA 0.071 62.241 62.300 -0.217 0.000 0.820 280 V CB 0.825 32.149 31.823 -0.832 0.000 1.028 280 V HN 1.130 nan 8.190 nan 0.000 0.436 281 T N 2.082 116.727 114.554 0.151 0.000 2.933 281 T HA 0.498 4.848 4.350 0.000 0.000 0.305 281 T C -2.045 172.837 174.700 0.303 0.000 1.092 281 T CA -1.723 60.498 62.100 0.202 0.000 1.008 281 T CB 2.933 71.875 68.868 0.124 0.000 1.102 281 T HN 0.258 nan 8.240 nan 0.000 0.469 282 P HA -0.018 nan 4.420 nan 0.000 0.218 282 P C 0.131 177.615 177.300 0.307 0.000 1.149 282 P CA 1.094 64.325 63.100 0.217 0.000 0.817 282 P CB 0.010 31.821 31.700 0.186 0.000 0.785 283 D N -1.017 119.549 120.400 0.277 0.000 2.385 283 D HA 0.003 4.643 4.640 0.000 0.000 0.254 283 D C -0.803 175.628 176.300 0.218 0.000 1.053 283 D CA -1.098 53.058 54.000 0.261 0.000 0.992 283 D CB 0.509 41.373 40.800 0.108 0.000 1.145 283 D HN -0.012 nan 8.370 nan 0.000 0.523 284 Y N 0.524 120.775 120.300 -0.081 0.000 2.632 284 Y HA 0.420 4.970 4.550 0.000 0.000 0.336 284 Y C 0.186 175.868 175.900 -0.363 0.000 1.237 284 Y CA -0.499 57.265 58.100 -0.560 0.000 1.595 284 Y CB -0.395 37.694 38.460 -0.618 0.000 1.508 284 Y HN 0.540 nan 8.280 nan 0.000 0.480 285 A N 3.398 125.929 122.820 -0.482 0.000 2.296 285 A HA 0.170 4.490 4.320 0.000 0.000 0.264 285 A C 1.317 178.630 177.584 -0.453 0.000 1.097 285 A CA -0.282 51.543 52.037 -0.354 0.000 0.811 285 A CB 0.437 19.294 19.000 -0.239 0.000 1.072 285 A HN 0.822 nan 8.150 nan 0.000 0.495 286 E N -0.450 119.562 120.200 -0.314 0.000 2.118 286 E HA -0.228 4.122 4.350 0.000 0.000 0.195 286 E C 1.560 177.975 176.600 -0.309 0.000 0.992 286 E CA 1.374 57.608 56.400 -0.277 0.000 0.804 286 E CB -0.325 29.237 29.700 -0.230 0.000 0.741 286 E HN 0.661 nan 8.360 nan 0.000 0.458 287 I N 1.253 121.630 120.570 -0.322 0.000 2.335 287 I HA -0.259 3.911 4.170 0.000 0.000 0.251 287 I C 2.122 178.040 176.117 -0.331 0.000 1.129 287 I CA 1.390 62.494 61.300 -0.326 0.000 1.402 287 I CB -0.281 37.533 38.000 -0.309 0.000 1.069 287 I HN -0.005 nan 8.210 nan 0.000 0.424 288 A N 0.472 122.992 122.820 -0.500 0.000 1.902 288 A HA -0.250 4.070 4.320 0.000 0.000 0.217 288 A C 2.379 179.711 177.584 -0.419 0.000 1.181 288 A CA 1.807 53.475 52.037 -0.615 0.000 0.623 288 A CB -0.801 17.343 19.000 -1.426 0.000 0.818 288 A HN 0.432 nan 8.150 nan 0.000 0.443 289 K N 0.195 120.360 120.400 -0.391 0.000 2.218 289 K HA -0.107 4.213 4.320 0.000 0.000 0.205 289 K C 1.239 177.811 176.600 -0.047 0.000 1.046 289 K CA 1.388 57.596 56.287 -0.131 0.000 0.933 289 K CB -0.348 32.103 32.500 -0.082 0.000 0.728 289 K HN 0.571 nan 8.250 nan 0.000 0.454 290 L N -0.056 121.136 121.223 -0.053 0.000 2.640 290 L HA 0.121 4.461 4.340 0.000 0.000 0.230 290 L C 0.657 177.591 176.870 0.106 0.000 1.123 290 L CA -0.475 54.392 54.840 0.046 0.000 0.900 290 L CB 0.366 42.480 42.059 0.092 0.000 1.146 290 L HN -0.004 nan 8.230 nan 0.000 0.484 291 C N -0.548 118.786 119.300 0.056 0.000 2.423 291 C HA 0.267 4.727 4.460 0.000 0.000 0.378 291 C C 1.509 176.524 174.990 0.042 0.000 1.244 291 C CA -0.676 58.384 59.018 0.069 0.000 1.978 291 C CB 1.786 29.570 27.740 0.074 0.000 2.252 291 C HN 0.332 nan 8.230 nan 0.000 0.526 292 D N -0.281 120.130 120.400 0.018 0.000 2.327 292 D HA 0.164 4.804 4.640 0.000 0.000 0.205 292 D C -0.194 176.142 176.300 0.059 0.000 0.989 292 D CA 0.832 54.847 54.000 0.025 0.000 0.873 292 D CB 0.338 41.129 40.800 -0.015 0.000 0.955 292 D HN 0.247 nan 8.370 nan 0.000 0.515 293 L N -0.128 121.136 121.223 0.069 0.000 2.455 293 L HA 0.443 4.783 4.340 0.000 0.000 0.264 293 L C -2.189 174.783 176.870 0.170 0.000 0.968 293 L CA -0.852 54.050 54.840 0.104 0.000 0.827 293 L CB 2.465 44.558 42.059 0.058 0.000 1.317 293 L HN -0.118 nan 8.230 nan 0.000 0.407 294 W N 7.150 128.440 121.300 -0.016 0.000 2.424 294 W HA 0.674 5.334 4.660 0.000 0.000 0.318 294 W C -2.045 174.450 176.519 -0.039 0.000 1.016 294 W CA -1.207 56.115 57.345 -0.038 0.000 1.268 294 W CB 0.913 30.377 29.460 0.007 0.000 1.297 294 W HN 0.417 nan 8.180 nan 0.000 0.428 295 L N 6.289 127.373 121.223 -0.232 0.000 2.295 295 L HA 0.698 5.038 4.340 0.000 0.000 0.285 295 L C 0.481 177.052 176.870 -0.498 0.000 1.035 295 L CA -1.015 53.579 54.840 -0.411 0.000 0.806 295 L CB 1.543 43.434 42.059 -0.280 0.000 1.214 295 L HN 0.627 nan 8.230 nan 0.000 0.426 296 A N 4.898 127.375 122.820 -0.570 0.000 3.064 296 A HA 0.521 4.841 4.320 0.000 0.000 0.339 296 A C -2.281 175.215 177.584 -0.147 0.000 1.078 296 A CA -1.262 50.578 52.037 -0.328 0.000 0.869 296 A CB -0.373 18.342 19.000 -0.474 0.000 1.067 296 A HN 0.416 nan 8.150 nan 0.000 0.480 297 P HA 0.130 nan 4.420 nan 0.000 0.272 297 P C -0.332 176.991 177.300 0.039 0.000 1.230 297 P CA -0.254 62.832 63.100 -0.023 0.000 0.788 297 P CB 0.774 32.486 31.700 0.019 0.000 0.949 298 K N 2.647 123.077 120.400 0.049 0.000 2.412 298 K HA -0.003 4.317 4.320 0.000 0.000 0.281 298 K C 0.715 177.409 176.600 0.156 0.000 1.027 298 K CA -0.039 56.312 56.287 0.108 0.000 0.989 298 K CB 0.053 32.627 32.500 0.123 0.000 0.935 298 K HN 0.372 nan 8.250 nan 0.000 0.475 299 Q N 3.494 123.422 119.800 0.212 0.000 2.326 299 Q HA 0.024 4.364 4.340 0.000 0.000 0.314 299 Q C 0.724 176.723 176.000 -0.003 0.000 1.091 299 Q CA 1.250 57.201 55.803 0.247 0.000 0.974 299 Q CB -0.015 29.006 28.738 0.472 0.000 1.220 299 Q HN 0.964 nan 8.270 nan 0.000 0.398 300 G N 2.396 110.792 108.800 -0.675 0.000 2.234 300 G HA2 -0.384 3.576 3.960 0.000 0.000 0.260 300 G HA3 -0.384 3.576 3.960 0.000 0.000 0.260 300 G C 0.697 175.248 174.900 -0.581 0.000 0.987 300 G CA 0.949 45.157 45.100 -1.487 0.000 0.625 300 G HN 1.090 nan 8.290 nan 0.000 0.532 301 T N -2.015 112.433 114.554 -0.177 0.000 3.086 301 T HA 0.234 4.584 4.350 0.000 0.000 0.250 301 T C 1.470 176.208 174.700 0.063 0.000 1.074 301 T CA 0.988 63.110 62.100 0.036 0.000 0.988 301 T CB 0.047 68.932 68.868 0.028 0.000 0.988 301 T HN 0.282 nan 8.240 nan 0.000 0.530 302 D N 2.356 122.784 120.400 0.046 0.000 2.191 302 D HA -0.199 4.441 4.640 0.000 0.000 0.195 302 D C 2.308 178.681 176.300 0.121 0.000 1.003 302 D CA 1.667 55.775 54.000 0.179 0.000 0.867 302 D CB -0.235 40.682 40.800 0.194 0.000 0.926 302 D HN 0.636 nan 8.370 nan 0.000 0.450 303 A N 1.440 124.298 122.820 0.063 0.000 1.948 303 A HA -0.135 4.185 4.320 0.000 0.000 0.220 303 A C 2.422 180.087 177.584 0.135 0.000 1.177 303 A CA 2.290 54.362 52.037 0.060 0.000 0.636 303 A CB -0.642 18.419 19.000 0.101 0.000 0.815 303 A HN 0.284 nan 8.150 nan 0.000 0.449 304 A N -0.721 122.205 122.820 0.175 0.000 1.865 304 A HA -0.201 4.119 4.320 0.000 0.000 0.217 304 A C 2.298 180.012 177.584 0.217 0.000 1.191 304 A CA 2.080 54.204 52.037 0.144 0.000 0.623 304 A CB -0.571 18.211 19.000 -0.363 0.000 0.826 304 A HN 0.601 nan 8.150 nan 0.000 0.444 305 M N -0.527 119.178 119.600 0.176 0.000 2.080 305 M HA -0.162 4.318 4.480 0.000 0.000 0.260 305 M C 2.329 178.798 176.300 0.281 0.000 1.068 305 M CA 1.757 57.193 55.300 0.227 0.000 1.109 305 M CB -0.266 32.506 32.600 0.286 0.000 1.342 305 M HN 0.454 nan 8.290 nan 0.000 0.405 306 A N 0.417 123.405 122.820 0.281 0.000 1.883 306 A HA -0.193 4.127 4.320 0.000 0.000 0.217 306 A C 2.028 179.701 177.584 0.149 0.000 1.186 306 A CA 1.714 53.852 52.037 0.168 0.000 0.624 306 A CB -1.123 17.814 19.000 -0.104 0.000 0.822 306 A HN 0.585 nan 8.150 nan 0.000 0.444 307 L N -0.885 120.385 121.223 0.080 0.000 2.012 307 L HA -0.246 4.094 4.340 0.000 0.000 0.210 307 L C 3.147 180.162 176.870 0.243 0.000 1.073 307 L CA 1.219 56.068 54.840 0.016 0.000 0.748 307 L CB -0.527 41.264 42.059 -0.446 0.000 0.891 307 L HN 0.469 nan 8.230 nan 0.000 0.431 308 A N -0.277 122.684 122.820 0.236 0.000 1.883 308 A HA -0.255 4.065 4.320 0.000 0.000 0.217 308 A C 2.267 179.981 177.584 0.216 0.000 1.186 308 A CA 1.969 54.150 52.037 0.241 0.000 0.624 308 A CB -0.509 18.620 19.000 0.215 0.000 0.822 308 A HN 0.382 nan 8.150 nan 0.000 0.444 309 M N -0.649 119.061 119.600 0.183 0.000 2.159 309 M HA -0.082 4.398 4.480 0.000 0.000 0.263 309 M C 2.275 178.671 176.300 0.161 0.000 1.063 309 M CA 1.328 56.706 55.300 0.129 0.000 1.110 309 M CB -0.585 32.077 32.600 0.103 0.000 1.374 309 M HN 0.505 nan 8.290 nan 0.000 0.411 310 G N -0.898 108.058 108.800 0.261 0.000 2.408 310 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 310 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 310 G C 1.157 176.108 174.900 0.085 0.000 1.150 310 G CA 1.232 46.490 45.100 0.264 0.000 0.776 310 G HN 0.459 nan 8.290 nan 0.000 0.542 311 H N 0.378 119.561 119.070 0.188 0.000 2.267 311 H HA -0.071 4.486 4.556 0.000 0.000 0.297 311 H C 2.608 177.958 175.328 0.035 0.000 1.080 311 H CA 1.969 58.097 56.048 0.133 0.000 1.278 311 H CB -0.365 29.518 29.762 0.202 0.000 1.365 311 H HN 0.081 nan 8.280 nan 0.000 0.489 312 V N 0.769 120.667 119.914 -0.026 0.000 2.287 312 V HA -0.362 3.758 4.120 0.000 0.000 0.248 312 V C 2.622 178.777 176.094 0.101 0.000 1.053 312 V CA 2.286 64.535 62.300 -0.085 0.000 1.027 312 V CB -0.639 31.102 31.823 -0.136 0.000 0.646 312 V HN 0.496 nan 8.190 nan 0.000 0.447 313 M N -0.834 118.855 119.600 0.149 0.000 2.065 313 M HA -0.211 4.269 4.480 0.000 0.000 0.259 313 M C 2.251 178.701 176.300 0.251 0.000 1.069 313 M CA 2.057 57.539 55.300 0.304 0.000 1.110 313 M CB -0.666 32.049 32.600 0.192 0.000 1.328 313 M HN 0.244 nan 8.290 nan 0.000 0.405 314 L N -0.384 120.785 121.223 -0.089 0.000 2.012 314 L HA -0.251 4.089 4.340 0.000 0.000 0.210 314 L C 2.767 179.596 176.870 -0.068 0.000 1.073 314 L CA 1.332 56.024 54.840 -0.248 0.000 0.748 314 L CB -0.713 40.964 42.059 -0.636 0.000 0.891 314 L HN 0.279 nan 8.230 nan 0.000 0.431 315 R N 0.767 121.193 120.500 -0.124 0.000 2.080 315 R HA -0.192 4.148 4.340 0.000 0.000 0.236 315 R C 2.002 178.295 176.300 -0.012 0.000 1.137 315 R CA 1.992 58.044 56.100 -0.081 0.000 0.943 315 R CB -0.455 29.807 30.300 -0.063 0.000 0.846 315 R HN 0.416 nan 8.270 nan 0.000 0.431 316 E N -1.568 118.649 120.200 0.028 0.000 2.170 316 E HA -0.029 4.321 4.350 0.000 0.000 0.191 316 E C 1.086 177.468 176.600 -0.363 0.000 0.981 316 E CA 0.904 57.201 56.400 -0.172 0.000 0.830 316 E CB 0.089 29.643 29.700 -0.243 0.000 0.775 316 E HN 0.367 nan 8.360 nan 0.000 0.470 317 F N -1.170 118.847 119.950 0.113 0.000 2.661 317 F HA 0.227 4.754 4.527 0.000 0.000 0.306 317 F C 1.712 177.501 175.800 -0.018 0.000 1.094 317 F CA 0.095 58.155 58.000 0.100 0.000 1.254 317 F CB 0.550 39.737 39.000 0.312 0.000 1.040 317 F HN 0.035 nan 8.300 nan 0.000 0.562 318 H N -1.646 117.525 119.070 0.169 0.000 2.824 318 H HA 0.244 4.800 4.556 0.000 0.000 0.238 318 H C 1.629 176.991 175.328 0.055 0.000 0.931 318 H CA 0.363 56.479 56.048 0.114 0.000 1.090 318 H CB 0.857 30.632 29.762 0.022 0.000 1.433 318 H HN 0.040 nan 8.280 nan 0.000 0.437 319 L N 0.783 122.071 121.223 0.109 0.000 2.327 319 L HA 0.046 4.386 4.340 0.000 0.000 0.192 319 L C 1.853 178.721 176.870 -0.002 0.000 1.158 319 L CA 1.094 55.960 54.840 0.043 0.000 0.813 319 L CB -1.064 40.993 42.059 -0.003 0.000 1.021 319 L HN 0.060 nan 8.230 nan 0.000 0.481 320 D N 0.453 120.831 120.400 -0.037 0.000 2.137 320 D HA -0.196 4.444 4.640 0.000 0.000 0.193 320 D C 1.061 177.318 176.300 -0.071 0.000 0.993 320 D CA 1.480 55.443 54.000 -0.063 0.000 0.846 320 D CB -0.276 40.469 40.800 -0.091 0.000 0.990 320 D HN 0.155 nan 8.370 nan 0.000 0.448 321 N N 0.837 119.472 118.700 -0.110 0.000 3.044 321 N HA 0.168 4.908 4.740 0.000 0.000 0.254 321 N C -2.745 172.707 175.510 -0.097 0.000 1.253 321 N CA -1.841 51.142 53.050 -0.112 0.000 0.944 321 N CB 0.588 38.982 38.487 -0.156 0.000 1.217 321 N HN -0.119 nan 8.380 nan 0.000 0.498 322 P HA -0.048 nan 4.420 nan 0.000 0.261 322 P C -0.381 176.874 177.300 -0.074 0.000 1.173 322 P CA 0.231 63.304 63.100 -0.044 0.000 0.760 322 P CB 0.722 32.413 31.700 -0.015 0.000 0.783 323 S N 2.244 117.874 115.700 -0.116 0.000 2.475 323 S HA 0.072 4.542 4.470 0.000 0.000 0.281 323 S C 1.347 175.856 174.600 -0.152 0.000 1.198 323 S CA -0.477 57.602 58.200 -0.201 0.000 1.063 323 S CB 0.801 63.690 63.200 -0.518 0.000 0.972 323 S HN 0.560 nan 8.310 nan 0.000 0.486 324 Q N 3.977 123.718 119.800 -0.097 0.000 2.050 324 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 324 Q C 1.464 177.456 176.000 -0.013 0.000 0.980 324 Q CA 1.938 57.721 55.803 -0.034 0.000 0.840 324 Q CB -0.400 28.340 28.738 0.002 0.000 0.898 324 Q HN 0.973 nan 8.270 nan 0.000 0.424 325 Y N 0.348 120.538 120.300 -0.183 0.000 2.097 325 Y HA -0.250 4.300 4.550 0.000 0.000 0.282 325 Y C 1.657 177.623 175.900 0.110 0.000 1.152 325 Y CA 1.990 59.989 58.100 -0.168 0.000 1.136 325 Y CB -0.657 37.521 38.460 -0.471 0.000 0.975 325 Y HN 0.196 nan 8.280 nan 0.000 0.498 326 F N -0.762 119.069 119.950 -0.198 0.000 2.102 326 F HA -0.279 4.248 4.527 0.000 0.000 0.298 326 F C 2.360 178.130 175.800 -0.050 0.000 1.105 326 F CA 1.132 59.010 58.000 -0.204 0.000 1.239 326 F CB -0.770 38.098 39.000 -0.220 0.000 0.991 326 F HN 0.009 nan 8.300 nan 0.000 0.474 327 T N -0.528 114.089 114.554 0.105 0.000 2.652 327 T HA -0.278 4.072 4.350 0.000 0.000 0.267 327 T C 1.377 176.129 174.700 0.087 0.000 1.039 327 T CA 1.935 64.103 62.100 0.114 0.000 1.153 327 T CB -0.579 68.311 68.868 0.036 0.000 0.863 327 T HN 0.292 nan 8.240 nan 0.000 0.428 328 D N -0.292 120.126 120.400 0.030 0.000 2.123 328 D HA -0.161 4.479 4.640 0.000 0.000 0.196 328 D C 1.866 178.157 176.300 -0.016 0.000 0.992 328 D CA 1.001 54.995 54.000 -0.009 0.000 0.833 328 D CB -0.285 40.512 40.800 -0.006 0.000 0.954 328 D HN 0.466 nan 8.370 nan 0.000 0.455 329 Y N 0.802 121.037 120.300 -0.108 0.000 2.070 329 Y HA -0.218 4.332 4.550 0.000 0.000 0.280 329 Y C 2.315 178.274 175.900 0.099 0.000 1.148 329 Y CA 2.458 60.549 58.100 -0.015 0.000 1.125 329 Y CB -0.738 37.598 38.460 -0.206 0.000 0.975 329 Y HN 0.042 nan 8.280 nan 0.000 0.492 330 V N -0.304 119.836 119.914 0.376 0.000 2.913 330 V HA -0.148 3.972 4.120 0.000 0.000 0.260 330 V C 2.335 178.494 176.094 0.108 0.000 1.098 330 V CA 1.970 64.449 62.300 0.298 0.000 1.121 330 V CB -0.924 31.143 31.823 0.406 0.000 0.714 330 V HN 0.445 nan 8.190 nan 0.000 0.487 331 R N 0.723 121.239 120.500 0.027 0.000 2.066 331 R HA -0.036 4.304 4.340 0.000 0.000 0.232 331 R C 2.569 178.790 176.300 -0.132 0.000 1.131 331 R CA 1.701 57.770 56.100 -0.051 0.000 0.955 331 R CB -0.135 30.122 30.300 -0.071 0.000 0.851 331 R HN 0.487 nan 8.270 nan 0.000 0.432 332 R N -1.347 118.981 120.500 -0.287 0.000 2.210 332 R HA -0.022 4.318 4.340 0.000 0.000 0.203 332 R C 1.077 177.049 176.300 -0.547 0.000 1.010 332 R CA 0.920 56.718 56.100 -0.504 0.000 1.008 332 R CB 0.226 30.045 30.300 -0.802 0.000 0.923 332 R HN 0.376 nan 8.270 nan 0.000 0.469 333 Y N 0.066 120.284 120.300 -0.137 0.000 2.481 333 Y HA 0.133 4.683 4.550 0.000 0.000 0.247 333 Y C 0.992 176.838 175.900 -0.089 0.000 1.151 333 Y CA -0.459 57.588 58.100 -0.087 0.000 1.238 333 Y CB 0.987 39.255 38.460 -0.321 0.000 1.179 333 Y HN -0.042 nan 8.280 nan 0.000 0.524 334 T N -3.279 111.313 114.554 0.062 0.000 2.910 334 T HA 0.164 4.514 4.350 0.000 0.000 0.287 334 T C 0.321 175.057 174.700 0.060 0.000 1.050 334 T CA -0.597 61.528 62.100 0.041 0.000 1.011 334 T CB 1.791 70.715 68.868 0.092 0.000 1.195 334 T HN 0.133 nan 8.240 nan 0.000 0.540 335 D N -0.033 120.404 120.400 0.062 0.000 2.325 335 D HA 0.069 4.709 4.640 0.000 0.000 0.225 335 D C 1.606 177.971 176.300 0.108 0.000 1.096 335 D CA -0.092 53.961 54.000 0.088 0.000 0.844 335 D CB -0.343 40.516 40.800 0.099 0.000 0.925 335 D HN 0.569 nan 8.370 nan 0.000 0.513 336 M N 0.711 120.390 119.600 0.132 0.000 2.106 336 M HA -0.102 4.378 4.480 0.000 0.000 0.259 336 M C -0.665 175.724 176.300 0.149 0.000 1.068 336 M CA 1.997 57.410 55.300 0.187 0.000 1.100 336 M CB -1.347 31.429 32.600 0.293 0.000 1.351 336 M HN 0.052 nan 8.290 nan 0.000 0.404 337 P HA -0.000 nan 4.420 nan 0.000 0.241 337 P C 0.240 177.571 177.300 0.052 0.000 1.191 337 P CA 0.600 63.729 63.100 0.049 0.000 0.771 337 P CB -0.086 31.621 31.700 0.011 0.000 0.929 338 M N 0.543 120.178 119.600 0.057 0.000 2.239 338 M HA 0.096 4.576 4.480 0.000 0.000 0.348 338 M C 0.352 176.661 176.300 0.015 0.000 1.239 338 M CA -0.038 55.288 55.300 0.043 0.000 1.114 338 M CB -0.337 32.309 32.600 0.078 0.000 1.641 338 M HN -0.154 nan 8.290 nan 0.000 0.453 339 L N 4.024 125.236 121.223 -0.019 0.000 2.319 339 L HA 0.381 4.721 4.340 0.000 0.000 0.280 339 L C -0.619 176.232 176.870 -0.033 0.000 1.099 339 L CA -0.733 54.084 54.840 -0.039 0.000 0.828 339 L CB 0.389 42.384 42.059 -0.108 0.000 1.150 339 L HN 0.332 nan 8.230 nan 0.000 0.442 340 V N 4.455 124.331 119.914 -0.062 0.000 2.435 340 V HA 0.371 4.491 4.120 0.000 0.000 0.290 340 V C 0.385 176.460 176.094 -0.031 0.000 1.030 340 V CA -0.574 61.680 62.300 -0.077 0.000 0.881 340 V CB 1.741 33.395 31.823 -0.281 0.000 0.983 340 V HN 0.712 nan 8.190 nan 0.000 0.445 341 M N 5.183 124.791 119.600 0.013 0.000 2.233 341 M HA 0.437 4.917 4.480 0.000 0.000 0.350 341 M C -0.699 175.617 176.300 0.027 0.000 1.176 341 M CA 0.003 55.313 55.300 0.017 0.000 1.150 341 M CB 0.692 33.312 32.600 0.033 0.000 1.530 341 M HN 0.400 nan 8.290 nan 0.000 0.459 342 L N 2.671 123.900 121.223 0.010 0.000 2.289 342 L HA 0.388 4.728 4.340 0.000 0.000 0.285 342 L C -0.029 176.922 176.870 0.135 0.000 1.049 342 L CA -0.501 54.364 54.840 0.042 0.000 0.804 342 L CB 1.105 43.107 42.059 -0.095 0.000 1.195 342 L HN 0.677 nan 8.230 nan 0.000 0.428 343 E N 1.947 122.248 120.200 0.169 0.000 2.242 343 E HA 0.268 4.618 4.350 0.000 0.000 0.275 343 E C -0.969 175.730 176.600 0.165 0.000 1.002 343 E CA -0.676 55.808 56.400 0.139 0.000 0.841 343 E CB 1.639 31.380 29.700 0.068 0.000 1.109 343 E HN 0.476 nan 8.360 nan 0.000 0.394 344 E N 2.600 122.827 120.200 0.045 0.000 2.194 344 E HA 0.141 4.491 4.350 0.000 0.000 0.284 344 E C 0.109 176.542 176.600 -0.278 0.000 1.035 344 E CA -0.240 56.041 56.400 -0.199 0.000 0.836 344 E CB 0.973 30.577 29.700 -0.161 0.000 1.070 344 E HN 0.196 nan 8.360 nan 0.000 0.401 345 R N 1.622 121.835 120.500 -0.478 0.000 2.424 345 R HA 0.253 4.593 4.340 0.000 0.000 0.166 345 R C -0.361 175.621 176.300 -0.530 0.000 1.347 345 R CA -0.467 55.298 56.100 -0.558 0.000 1.274 345 R CB 0.060 29.753 30.300 -1.011 0.000 1.949 345 R HN 0.400 nan 8.270 nan 0.000 0.537 346 D N -0.588 119.430 120.400 -0.636 0.000 2.462 346 D HA 0.314 4.954 4.640 0.000 0.000 0.249 346 D C 0.400 176.584 176.300 -0.193 0.000 1.117 346 D CA 0.522 54.334 54.000 -0.314 0.000 0.900 346 D CB 0.217 40.931 40.800 -0.144 0.000 1.039 346 D HN 0.690 nan 8.370 nan 0.000 0.516 347 G N 2.733 111.424 108.800 -0.181 0.000 2.199 347 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 347 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 347 G C -0.049 174.887 174.900 0.059 0.000 0.982 347 G CA 0.791 45.876 45.100 -0.025 0.000 0.632 347 G HN 0.655 nan 8.290 nan 0.000 0.529 348 Y N -2.283 117.923 120.300 -0.157 0.000 2.670 348 Y HA 0.777 5.327 4.550 0.000 0.000 0.334 348 Y C -0.588 175.191 175.900 -0.201 0.000 1.185 348 Y CA -2.866 55.174 58.100 -0.100 0.000 1.053 348 Y CB 0.540 38.997 38.460 -0.006 0.000 1.298 348 Y HN 0.094 nan 8.280 nan 0.000 0.459 349 Y N 0.974 121.358 120.300 0.141 0.000 2.488 349 Y HA 0.842 5.392 4.550 0.000 0.000 0.325 349 Y C 0.116 176.088 175.900 0.120 0.000 1.204 349 Y CA -0.578 57.544 58.100 0.036 0.000 1.229 349 Y CB 2.040 40.531 38.460 0.052 0.000 1.274 349 Y HN 0.926 nan 8.280 nan 0.000 0.493 350 A N 0.701 123.643 122.820 0.203 0.000 2.401 350 A HA 0.808 5.128 4.320 0.000 0.000 0.310 350 A C -1.113 176.518 177.584 0.079 0.000 1.075 350 A CA -0.767 51.339 52.037 0.115 0.000 0.746 350 A CB 0.701 19.747 19.000 0.076 0.000 1.277 350 A HN 0.839 nan 8.150 nan 0.000 0.425 351 A N 1.236 124.060 122.820 0.007 0.000 2.451 351 A HA 0.565 4.885 4.320 0.000 0.000 0.266 351 A C 0.850 178.521 177.584 0.146 0.000 1.119 351 A CA 0.502 52.573 52.037 0.056 0.000 0.786 351 A CB -0.356 18.669 19.000 0.042 0.000 1.061 351 A HN 1.648 nan 8.150 nan 0.000 0.503 352 G N 1.750 110.637 108.800 0.145 0.000 2.849 352 G HA2 0.512 4.472 3.960 0.000 0.000 0.174 352 G HA3 0.512 4.472 3.960 0.000 0.000 0.174 352 G C 0.400 175.432 174.900 0.221 0.000 1.370 352 G CA -0.569 44.620 45.100 0.148 0.000 1.040 352 G HN 1.074 nan 8.290 nan 0.000 0.582 353 R N -1.295 119.300 120.500 0.159 0.000 2.649 353 R HA 0.453 4.793 4.340 0.000 0.000 0.270 353 R C 0.074 176.498 176.300 0.207 0.000 1.105 353 R CA -0.420 55.793 56.100 0.189 0.000 1.193 353 R CB 0.424 30.787 30.300 0.104 0.000 1.120 353 R HN 0.316 nan 8.270 nan 0.000 0.561 354 M N 1.378 121.119 119.600 0.236 0.000 2.242 354 M HA 0.127 4.607 4.480 0.000 0.000 0.344 354 M C -0.044 176.309 176.300 0.088 0.000 1.140 354 M CA -0.836 54.568 55.300 0.174 0.000 1.160 354 M CB 0.910 33.642 32.600 0.220 0.000 1.491 354 M HN 0.476 nan 8.290 nan 0.000 0.459 355 L N 3.406 124.655 121.223 0.043 0.000 2.456 355 L HA 0.158 4.498 4.340 0.000 0.000 0.272 355 L C -0.291 176.585 176.870 0.010 0.000 1.189 355 L CA 0.824 55.668 54.840 0.007 0.000 0.846 355 L CB 0.137 42.177 42.059 -0.031 0.000 1.111 355 L HN 0.528 nan 8.230 nan 0.000 0.475 356 R N 3.682 124.177 120.500 -0.007 0.000 2.750 356 R HA 0.500 4.840 4.340 0.000 0.000 0.281 356 R C 0.695 176.986 176.300 -0.015 0.000 0.972 356 R CA -0.126 55.968 56.100 -0.011 0.000 0.912 356 R CB 1.125 31.396 30.300 -0.049 0.000 1.187 356 R HN 0.795 nan 8.270 nan 0.000 0.464 357 A N 1.978 124.796 122.820 -0.002 0.000 1.915 357 A HA -0.283 4.037 4.320 0.000 0.000 0.220 357 A C 2.032 179.609 177.584 -0.011 0.000 1.198 357 A CA 2.696 54.732 52.037 -0.001 0.000 0.647 357 A CB -0.689 18.317 19.000 0.010 0.000 0.825 357 A HN 0.830 nan 8.150 nan 0.000 0.456 358 A N -0.133 122.674 122.820 -0.021 0.000 1.958 358 A HA -0.283 4.037 4.320 0.000 0.000 0.221 358 A C 1.746 179.319 177.584 -0.019 0.000 1.178 358 A CA 2.084 54.107 52.037 -0.023 0.000 0.642 358 A CB -0.736 18.239 19.000 -0.042 0.000 0.816 358 A HN 0.550 nan 8.150 nan 0.000 0.453 359 D N -0.373 120.014 120.400 -0.022 0.000 2.182 359 D HA -0.064 4.576 4.640 0.000 0.000 0.201 359 D C 0.681 176.975 176.300 -0.009 0.000 0.986 359 D CA 0.569 54.559 54.000 -0.016 0.000 0.847 359 D CB -0.230 40.560 40.800 -0.017 0.000 0.942 359 D HN 0.223 nan 8.370 nan 0.000 0.467 360 L N 0.843 122.060 121.223 -0.010 0.000 2.453 360 L HA 0.060 4.400 4.340 0.000 0.000 0.261 360 L C 2.043 178.915 176.870 0.003 0.000 1.179 360 L CA -0.119 54.719 54.840 -0.004 0.000 0.813 360 L CB 0.660 42.714 42.059 -0.009 0.000 1.110 360 L HN -0.163 nan 8.230 nan 0.000 0.466 361 V N 1.961 121.879 119.914 0.008 0.000 2.217 361 V HA -0.340 3.780 4.120 0.000 0.000 0.248 361 V C 2.192 178.293 176.094 0.011 0.000 1.050 361 V CA 2.526 64.832 62.300 0.011 0.000 1.007 361 V CB -1.090 30.742 31.823 0.014 0.000 0.639 361 V HN 1.033 nan 8.190 nan 0.000 0.452 362 D N -1.182 119.227 120.400 0.014 0.000 2.352 362 D HA 0.376 5.016 4.640 0.000 0.000 0.232 362 D C 1.282 177.592 176.300 0.016 0.000 1.055 362 D CA 1.207 55.217 54.000 0.016 0.000 0.891 362 D CB -0.461 40.351 40.800 0.020 0.000 0.897 362 D HN 1.278 nan 8.370 nan 0.000 0.529 363 A N -1.244 121.583 122.820 0.012 0.000 2.872 363 A HA -0.127 4.193 4.320 0.000 0.000 0.273 363 A C 1.702 179.296 177.584 0.018 0.000 1.442 363 A CA 0.827 52.870 52.037 0.010 0.000 0.801 363 A CB -2.607 16.398 19.000 0.008 0.000 1.031 363 A HN 1.392 nan 8.150 nan 0.000 0.582 364 L N -4.251 116.985 121.223 0.022 0.000 3.976 364 L HA -0.310 4.030 4.340 0.000 0.000 0.418 364 L C 1.700 178.597 176.870 0.046 0.000 1.177 364 L CA 1.018 55.878 54.840 0.033 0.000 0.968 364 L CB -1.772 40.309 42.059 0.036 0.000 1.933 364 L HN 2.372 nan 8.230 nan 0.000 0.976 365 G N -1.373 107.449 108.800 0.038 0.000 2.162 365 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 365 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 365 G C 0.108 175.036 174.900 0.046 0.000 0.976 365 G CA 0.490 45.615 45.100 0.043 0.000 0.655 365 G HN 0.407 nan 8.290 nan 0.000 0.533 366 Q N 0.327 120.148 119.800 0.036 0.000 2.423 366 Q HA 0.515 4.855 4.340 0.000 0.000 0.235 366 Q C 1.263 177.264 176.000 0.003 0.000 1.100 366 Q CA 0.472 56.285 55.803 0.015 0.000 0.908 366 Q CB 1.245 29.974 28.738 -0.014 0.000 1.312 366 Q HN 0.674 nan 8.270 nan 0.000 0.497 367 E N 2.925 123.131 120.200 0.011 0.000 2.051 367 E HA -0.129 4.221 4.350 0.000 0.000 0.189 367 E C -0.054 176.549 176.600 0.005 0.000 0.979 367 E CA 0.928 57.335 56.400 0.012 0.000 0.803 367 E CB 0.073 29.784 29.700 0.019 0.000 0.761 367 E HN 0.402 nan 8.360 nan 0.000 0.451 368 N N 1.293 119.988 118.700 -0.008 0.000 2.458 368 N HA 0.058 4.798 4.740 0.000 0.000 0.270 368 N C -0.908 174.580 175.510 -0.036 0.000 1.102 368 N CA 0.085 53.128 53.050 -0.012 0.000 0.967 368 N CB 0.102 38.581 38.487 -0.013 0.000 1.078 368 N HN 0.188 nan 8.380 nan 0.000 0.471 369 N N 2.863 121.584 118.700 0.036 0.000 2.699 369 N HA -0.155 4.585 4.740 0.000 0.000 0.256 369 N C -1.892 173.653 175.510 0.058 0.000 0.993 369 N CA 0.530 53.652 53.050 0.119 0.000 0.759 369 N CB -0.532 38.043 38.487 0.146 0.000 0.906 369 N HN 0.668 nan 8.380 nan 0.000 0.541 370 P HA -0.165 nan 4.420 nan 0.000 0.220 370 P C 1.214 178.501 177.300 -0.022 0.000 1.148 370 P CA 1.346 64.436 63.100 -0.017 0.000 0.803 370 P CB 0.248 31.941 31.700 -0.011 0.000 0.782 371 E N -0.768 119.404 120.200 -0.045 0.000 2.482 371 E HA -0.141 4.209 4.350 0.000 0.000 0.196 371 E C 0.728 177.142 176.600 -0.310 0.000 1.047 371 E CA 0.500 56.788 56.400 -0.187 0.000 0.869 371 E CB -0.959 28.582 29.700 -0.266 0.000 0.836 371 E HN 0.406 nan 8.360 nan 0.000 0.520 372 W N 1.666 122.964 121.300 -0.004 0.000 2.926 372 W HA 0.321 4.981 4.660 0.000 0.000 0.419 372 W C -0.027 176.495 176.519 0.005 0.000 0.993 372 W CA -0.600 56.747 57.345 0.004 0.000 2.025 372 W CB 0.760 30.223 29.460 0.005 0.000 1.152 372 W HN -0.260 nan 8.180 nan 0.000 0.659 373 K N 0.799 121.286 120.400 0.144 0.000 2.463 373 K HA 0.329 4.649 4.320 0.000 0.000 0.255 373 K C 0.277 176.957 176.600 0.132 0.000 0.942 373 K CA -0.534 55.835 56.287 0.137 0.000 0.814 373 K CB 1.838 34.342 32.500 0.007 0.000 1.122 373 K HN -0.191 nan 8.250 nan 0.000 0.425 374 T N -1.240 113.419 114.554 0.175 0.000 2.868 374 T HA 0.373 4.723 4.350 0.000 0.000 0.292 374 T C 0.339 175.095 174.700 0.093 0.000 1.028 374 T CA -0.676 61.501 62.100 0.128 0.000 1.059 374 T CB 0.820 69.776 68.868 0.147 0.000 0.991 374 T HN 0.166 nan 8.240 nan 0.000 0.531 375 V N 0.816 120.749 119.914 0.030 0.000 2.769 375 V HA 0.879 5.000 4.120 0.000 0.000 0.312 375 V C 0.255 176.296 176.094 -0.088 0.000 1.061 375 V CA -0.883 61.396 62.300 -0.034 0.000 0.931 375 V CB 1.180 32.948 31.823 -0.092 0.000 1.010 375 V HN 1.427 nan 8.190 nan 0.000 0.433 376 A N 2.525 125.271 122.820 -0.124 0.000 2.583 376 A HA 0.905 5.225 4.320 0.000 0.000 0.289 376 A C -1.589 175.884 177.584 -0.185 0.000 1.151 376 A CA -0.561 51.398 52.037 -0.130 0.000 0.695 376 A CB 1.466 20.457 19.000 -0.015 0.000 1.290 376 A HN 0.610 nan 8.150 nan 0.000 0.419 377 F N 1.698 121.649 119.950 0.003 0.000 2.436 377 F HA 0.371 4.898 4.527 0.000 0.000 0.340 377 F C 0.741 176.531 175.800 -0.015 0.000 1.113 377 F CA -0.608 57.389 58.000 -0.005 0.000 1.022 377 F CB 1.793 40.787 39.000 -0.011 0.000 1.128 377 F HN 0.776 nan 8.300 nan 0.000 0.466 378 N N -0.592 118.240 118.700 0.221 0.000 2.434 378 N HA 0.095 4.835 4.740 0.000 0.000 0.266 378 N C 0.740 176.290 175.510 0.067 0.000 1.223 378 N CA -0.334 52.776 53.050 0.100 0.000 0.972 378 N CB 0.165 38.692 38.487 0.067 0.000 1.207 378 N HN 0.618 nan 8.380 nan 0.000 0.525 379 T N -3.473 111.093 114.554 0.020 0.000 3.052 379 T HA -0.086 4.264 4.350 0.000 0.000 0.270 379 T C 0.435 175.126 174.700 -0.016 0.000 1.147 379 T CA 0.751 62.846 62.100 -0.009 0.000 1.089 379 T CB -0.515 68.342 68.868 -0.019 0.000 0.875 379 T HN 0.527 nan 8.240 nan 0.000 0.541 380 N N 0.827 119.529 118.700 0.002 0.000 2.320 380 N HA 0.252 4.992 4.740 0.000 0.000 0.237 380 N C 1.515 177.019 175.510 -0.010 0.000 1.129 380 N CA 0.587 53.634 53.050 -0.005 0.000 0.854 380 N CB 0.473 38.964 38.487 0.007 0.000 1.083 380 N HN 0.662 nan 8.380 nan 0.000 0.504 381 G N 0.980 109.758 108.800 -0.037 0.000 2.257 381 G HA2 -0.316 3.644 3.960 0.000 0.000 0.267 381 G HA3 -0.316 3.644 3.960 0.000 0.000 0.267 381 G C 0.080 175.009 174.900 0.049 0.000 0.984 381 G CA 0.386 45.419 45.100 -0.112 0.000 0.626 381 G HN 0.471 nan 8.290 nan 0.000 0.540 382 E N -0.094 120.192 120.200 0.143 0.000 2.366 382 E HA 0.533 4.883 4.350 0.000 0.000 0.266 382 E C 0.493 177.303 176.600 0.349 0.000 1.051 382 E CA -0.404 56.121 56.400 0.208 0.000 0.884 382 E CB 0.910 30.677 29.700 0.112 0.000 1.006 382 E HN 0.403 nan 8.360 nan 0.000 0.417 383 M N 2.687 122.436 119.600 0.249 0.000 2.274 383 M HA 0.388 4.868 4.480 0.000 0.000 0.344 383 M C -1.093 175.205 176.300 -0.004 0.000 1.161 383 M CA -0.365 54.935 55.300 -0.001 0.000 1.126 383 M CB 1.130 33.662 32.600 -0.113 0.000 1.522 383 M HN 0.377 nan 8.290 nan 0.000 0.461 384 V N 2.943 122.825 119.914 -0.053 0.000 3.167 384 V HA 0.776 4.896 4.120 0.000 0.000 0.293 384 V C -1.766 174.336 176.094 0.014 0.000 1.379 384 V CA -0.573 61.729 62.300 0.003 0.000 1.019 384 V CB 2.312 34.153 31.823 0.029 0.000 1.115 384 V HN 0.930 nan 8.190 nan 0.000 0.442 385 A N 7.255 130.117 122.820 0.070 0.000 2.341 385 A HA 0.832 5.152 4.320 0.000 0.000 0.326 385 A C -2.639 175.040 177.584 0.160 0.000 1.402 385 A CA -1.561 50.560 52.037 0.139 0.000 0.957 385 A CB 0.471 19.590 19.000 0.199 0.000 1.151 385 A HN 0.626 nan 8.150 nan 0.000 0.533 386 P HA 0.097 nan 4.420 nan 0.000 0.277 386 P C -0.418 176.852 177.300 -0.051 0.000 1.240 386 P CA -0.533 62.581 63.100 0.024 0.000 0.798 386 P CB 0.769 32.478 31.700 0.015 0.000 0.979 387 N N 0.366 118.924 118.700 -0.237 0.000 2.344 387 N HA 0.096 4.836 4.740 0.000 0.000 0.236 387 N C 1.710 177.070 175.510 -0.250 0.000 1.279 387 N CA 1.710 54.459 53.050 -0.502 0.000 0.882 387 N CB -0.356 37.915 38.487 -0.360 0.000 1.110 387 N HN 0.805 nan 8.380 nan 0.000 0.436 388 G N -0.704 107.963 108.800 -0.222 0.000 2.268 388 G HA2 -0.316 3.644 3.960 0.000 0.000 0.240 388 G HA3 -0.316 3.644 3.960 0.000 0.000 0.240 388 G C 0.204 175.321 174.900 0.361 0.000 1.010 388 G CA 0.558 45.675 45.100 0.028 0.000 0.618 388 G HN 0.926 nan 8.290 nan 0.000 0.516 389 S N 0.299 116.298 115.700 0.498 0.000 2.566 389 S HA 0.389 4.859 4.470 0.000 0.000 0.280 389 S C 1.484 176.447 174.600 0.606 0.000 1.343 389 S CA 0.243 58.759 58.200 0.526 0.000 1.036 389 S CB 1.285 64.781 63.200 0.493 0.000 0.866 389 S HN 1.073 nan 8.310 nan 0.000 0.526 390 I N 2.872 123.712 120.570 0.450 0.000 2.623 390 I HA -0.011 4.159 4.170 0.000 0.000 0.261 390 I C 2.060 178.279 176.117 0.171 0.000 1.204 390 I CA 1.442 62.931 61.300 0.315 0.000 1.444 390 I CB -1.091 37.046 38.000 0.228 0.000 1.094 390 I HN 0.933 nan 8.210 nan 0.000 0.451 391 G N -0.659 108.264 108.800 0.205 0.000 2.443 391 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 391 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 391 G C 1.291 176.125 174.900 -0.111 0.000 1.131 391 G CA 0.362 45.482 45.100 0.034 0.000 0.775 391 G HN 0.448 nan 8.290 nan 0.000 0.547 392 F N -0.099 119.930 119.950 0.131 0.000 2.811 392 F HA 0.313 4.840 4.527 0.000 0.000 0.301 392 F C 2.433 178.196 175.800 -0.061 0.000 1.151 392 F CA 0.075 58.136 58.000 0.101 0.000 1.412 392 F CB 0.180 39.306 39.000 0.210 0.000 1.113 392 F HN 0.012 nan 8.300 nan 0.000 0.579 393 R N -0.552 119.814 120.500 -0.223 0.000 2.093 393 R HA -0.043 4.297 4.340 0.000 0.000 0.224 393 R C -0.359 175.468 176.300 -0.787 0.000 1.101 393 R CA 0.856 56.422 56.100 -0.891 0.000 0.979 393 R CB 0.153 29.473 30.300 -1.634 0.000 0.877 393 R HN 0.233 nan 8.270 nan 0.000 0.441 394 W N -1.628 119.598 121.300 -0.123 0.000 2.799 394 W HA 0.458 5.118 4.660 0.000 0.000 0.349 394 W C 0.887 177.350 176.519 -0.093 0.000 1.100 394 W CA -0.222 57.059 57.345 -0.106 0.000 1.174 394 W CB 1.494 30.875 29.460 -0.132 0.000 1.427 394 W HN 0.206 nan 8.180 nan 0.000 0.547 395 G N 0.109 109.004 108.800 0.159 0.000 2.267 395 G HA2 -0.282 3.678 3.960 0.000 0.000 0.257 395 G HA3 -0.282 3.678 3.960 0.000 0.000 0.257 395 G C 0.010 174.924 174.900 0.023 0.000 0.998 395 G CA 0.792 45.934 45.100 0.070 0.000 0.620 395 G HN 0.686 nan 8.290 nan 0.000 0.529 396 E N -1.602 118.597 120.200 -0.001 0.000 2.456 396 E HA 0.832 5.182 4.350 0.000 0.000 0.278 396 E C -1.303 175.262 176.600 -0.058 0.000 1.034 396 E CA -1.352 55.048 56.400 -0.000 0.000 0.846 396 E CB 1.343 31.082 29.700 0.065 0.000 1.460 396 E HN 0.028 nan 8.360 nan 0.000 0.463 397 K N -0.918 119.468 120.400 -0.023 0.000 2.532 397 K HA 0.493 4.813 4.320 0.000 0.000 0.265 397 K C 0.038 176.656 176.600 0.031 0.000 0.948 397 K CA -0.336 55.916 56.287 -0.058 0.000 0.842 397 K CB 1.796 34.214 32.500 -0.137 0.000 1.392 397 K HN 0.976 nan 8.250 nan 0.000 0.436 398 G N 1.280 110.117 108.800 0.061 0.000 2.195 398 G HA2 -0.278 3.682 3.960 0.000 0.000 0.246 398 G HA3 -0.278 3.682 3.960 0.000 0.000 0.246 398 G C 0.421 175.360 174.900 0.065 0.000 0.984 398 G CA 0.404 45.544 45.100 0.066 0.000 0.633 398 G HN 0.509 nan 8.290 nan 0.000 0.525 399 K N -1.334 119.127 120.400 0.102 0.000 2.413 399 K HA 0.204 4.524 4.320 0.000 0.000 0.204 399 K C 0.178 176.766 176.600 -0.019 0.000 1.041 399 K CA -0.583 55.684 56.287 -0.034 0.000 1.082 399 K CB 0.590 33.020 32.500 -0.116 0.000 0.871 399 K HN 0.222 nan 8.250 nan 0.000 0.535 400 W N 4.254 125.551 121.300 -0.005 0.000 1.738 400 W HA 0.113 4.773 4.660 0.000 0.000 0.399 400 W C -0.493 176.035 176.519 0.016 0.000 0.744 400 W CA -0.605 56.763 57.345 0.039 0.000 1.695 400 W CB -0.580 28.948 29.460 0.113 0.000 1.820 400 W HN 0.131 nan 8.180 nan 0.000 0.262 401 N N 0.710 119.297 118.700 -0.188 0.000 2.853 401 N HA 0.358 5.098 4.740 0.000 0.000 0.258 401 N C -1.249 174.134 175.510 -0.212 0.000 1.444 401 N CA -0.826 52.084 53.050 -0.234 0.000 0.837 401 N CB 0.805 39.230 38.487 -0.102 0.000 1.489 401 N HN -0.098 nan 8.380 nan 0.000 0.529 402 L N -0.028 121.093 121.223 -0.171 0.000 2.848 402 L HA 0.318 4.658 4.340 0.000 0.000 0.240 402 L C -0.287 176.515 176.870 -0.113 0.000 1.232 402 L CA 0.003 54.774 54.840 -0.116 0.000 1.031 402 L CB -1.337 40.692 42.059 -0.049 0.000 1.338 402 L HN 0.580 nan 8.230 nan 0.000 0.509 403 E N 0.437 120.571 120.200 -0.110 0.000 2.324 403 E HA 0.062 4.412 4.350 0.000 0.000 0.271 403 E C -0.023 176.513 176.600 -0.107 0.000 1.028 403 E CA -0.355 55.986 56.400 -0.098 0.000 0.890 403 E CB 0.472 30.122 29.700 -0.083 0.000 1.004 403 E HN 0.079 nan 8.360 nan 0.000 0.431 404 Q N 3.761 123.496 119.800 -0.107 0.000 2.736 404 Q HA 0.050 4.390 4.340 0.000 0.000 0.234 404 Q C -0.324 175.632 176.000 -0.075 0.000 1.354 404 Q CA 0.752 56.496 55.803 -0.098 0.000 0.891 404 Q CB -0.384 28.292 28.738 -0.104 0.000 1.665 404 Q HN 0.309 nan 8.270 nan 0.000 0.563 405 R N 0.264 120.716 120.500 -0.079 0.000 2.888 405 R HA 0.310 4.650 4.340 0.000 0.000 0.266 405 R C -0.727 175.539 176.300 -0.058 0.000 1.020 405 R CA -0.987 55.074 56.100 -0.065 0.000 0.963 405 R CB 1.094 31.350 30.300 -0.073 0.000 1.197 405 R HN 0.167 nan 8.270 nan 0.000 0.481 406 D N 0.275 120.657 120.400 -0.030 0.000 2.317 406 D HA 0.088 4.728 4.640 0.000 0.000 0.252 406 D C 1.021 177.322 176.300 0.003 0.000 1.174 406 D CA 0.060 54.059 54.000 -0.001 0.000 0.866 406 D CB 1.465 42.275 40.800 0.016 0.000 1.127 406 D HN 0.643 nan 8.370 nan 0.000 0.467 407 G N 4.096 112.917 108.800 0.036 0.000 2.501 407 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 407 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 407 G C 1.229 176.239 174.900 0.184 0.000 1.114 407 G CA 0.551 45.715 45.100 0.107 0.000 0.757 407 G HN 0.508 nan 8.290 nan 0.000 0.559 408 K N 0.092 120.565 120.400 0.121 0.000 2.159 408 K HA -0.031 4.289 4.320 0.000 0.000 0.210 408 K C 2.769 179.410 176.600 0.067 0.000 1.026 408 K CA 1.473 57.821 56.287 0.102 0.000 0.959 408 K CB -0.412 32.136 32.500 0.080 0.000 0.890 408 K HN 0.284 nan 8.250 nan 0.000 0.459 409 T N -2.347 112.235 114.554 0.047 0.000 3.055 409 T HA 0.086 4.436 4.350 0.000 0.000 0.265 409 T C 1.242 175.954 174.700 0.021 0.000 1.111 409 T CA 1.049 63.168 62.100 0.031 0.000 1.118 409 T CB -0.153 68.729 68.868 0.024 0.000 0.909 409 T HN 0.513 nan 8.240 nan 0.000 0.501 410 G N 0.670 109.478 108.800 0.014 0.000 2.176 410 G HA2 -0.224 3.736 3.960 0.000 0.000 0.252 410 G HA3 -0.224 3.736 3.960 0.000 0.000 0.252 410 G C -0.221 174.672 174.900 -0.011 0.000 1.024 410 G CA 0.317 45.415 45.100 -0.004 0.000 0.755 410 G HN 0.800 nan 8.290 nan 0.000 0.507 411 E N -0.025 120.171 120.200 -0.007 0.000 2.232 411 E HA 0.581 4.931 4.350 0.000 0.000 0.265 411 E C 0.309 176.899 176.600 -0.017 0.000 1.001 411 E CA -0.741 55.654 56.400 -0.009 0.000 0.870 411 E CB 0.559 30.258 29.700 -0.001 0.000 1.175 411 E HN 0.333 nan 8.360 nan 0.000 0.407 412 E N 1.319 121.508 120.200 -0.018 0.000 2.166 412 E HA 0.158 4.508 4.350 0.000 0.000 0.279 412 E C -0.545 176.043 176.600 -0.019 0.000 1.095 412 E CA -0.039 56.346 56.400 -0.025 0.000 0.888 412 E CB 0.441 30.126 29.700 -0.025 0.000 1.041 412 E HN 0.491 nan 8.360 nan 0.000 0.414 413 T N 0.404 114.945 114.554 -0.022 0.000 2.922 413 T HA 0.472 4.822 4.350 0.000 0.000 0.281 413 T C -0.180 174.506 174.700 -0.023 0.000 1.005 413 T CA -1.022 61.070 62.100 -0.013 0.000 0.982 413 T CB 1.737 70.604 68.868 -0.003 0.000 1.158 413 T HN 0.373 nan 8.240 nan 0.000 0.566 414 E N 0.575 120.766 120.200 -0.015 0.000 2.302 414 E HA 0.386 4.736 4.350 0.000 0.000 0.263 414 E C -1.048 175.544 176.600 -0.013 0.000 0.897 414 E CA -0.605 55.779 56.400 -0.025 0.000 0.809 414 E CB 1.049 30.734 29.700 -0.026 0.000 1.270 414 E HN 0.578 nan 8.360 nan 0.000 0.410 415 L N 3.248 124.458 121.223 -0.022 0.000 2.416 415 L HA 0.228 4.568 4.340 0.000 0.000 0.272 415 L C 0.564 177.424 176.870 -0.017 0.000 1.161 415 L CA 0.062 54.900 54.840 -0.004 0.000 0.845 415 L CB 0.686 42.737 42.059 -0.014 0.000 1.119 415 L HN 0.540 nan 8.230 nan 0.000 0.464 416 Q N 1.480 121.286 119.800 0.011 0.000 2.235 416 Q HA 0.307 4.647 4.340 0.000 0.000 0.250 416 Q C 0.418 176.376 176.000 -0.071 0.000 0.909 416 Q CA -0.485 55.300 55.803 -0.030 0.000 0.910 416 Q CB 1.716 30.451 28.738 -0.004 0.000 1.223 416 Q HN 0.628 nan 8.270 nan 0.000 0.432 417 L N 0.855 121.960 121.223 -0.196 0.000 2.116 417 L HA 0.133 4.473 4.340 0.000 0.000 0.200 417 L C 0.975 177.644 176.870 -0.334 0.000 1.084 417 L CA 0.349 54.946 54.840 -0.405 0.000 0.766 417 L CB -0.052 41.490 42.059 -0.861 0.000 0.930 417 L HN 0.460 nan 8.230 nan 0.000 0.453 418 S N -0.783 114.749 115.700 -0.280 0.000 2.525 418 S HA 0.370 4.840 4.470 0.000 0.000 0.290 418 S C 0.602 175.205 174.600 0.005 0.000 1.152 418 S CA -0.655 57.540 58.200 -0.009 0.000 1.072 418 S CB 1.313 64.581 63.200 0.113 0.000 1.027 418 S HN 0.185 nan 8.310 nan 0.000 0.500 419 L N 3.372 124.623 121.223 0.046 0.000 2.492 419 L HA 0.235 4.575 4.340 0.000 0.000 0.223 419 L C 0.665 177.531 176.870 -0.007 0.000 1.132 419 L CA 0.025 54.867 54.840 0.004 0.000 0.850 419 L CB -0.160 41.918 42.059 0.032 0.000 0.966 419 L HN 0.549 nan 8.230 nan 0.000 0.454 420 L N 1.445 122.682 121.223 0.023 0.000 2.742 420 L HA 0.208 4.548 4.340 0.000 0.000 0.275 420 L C 0.862 177.728 176.870 -0.007 0.000 1.141 420 L CA 1.112 55.961 54.840 0.016 0.000 0.987 420 L CB -0.226 41.856 42.059 0.038 0.000 1.319 420 L HN 0.223 nan 8.230 nan 0.000 0.478 421 G N 2.289 111.077 108.800 -0.021 0.000 2.234 421 G HA2 -0.130 3.830 3.960 0.000 0.000 0.153 421 G HA3 -0.130 3.830 3.960 0.000 0.000 0.153 421 G C 0.257 175.126 174.900 -0.052 0.000 1.013 421 G CA 0.131 45.212 45.100 -0.032 0.000 0.712 421 G HN 1.320 nan 8.290 nan 0.000 0.491 422 S N -0.435 115.227 115.700 -0.064 0.000 2.952 422 S HA 0.273 4.743 4.470 0.000 0.000 0.238 422 S C 0.201 174.744 174.600 -0.095 0.000 0.780 422 S CA 0.336 58.479 58.200 -0.095 0.000 1.150 422 S CB -0.120 62.991 63.200 -0.148 0.000 1.320 422 S HN 1.064 nan 8.310 nan 0.000 0.540 423 Q N 1.175 120.942 119.800 -0.056 0.000 2.368 423 Q HA 0.421 4.761 4.340 0.000 0.000 0.237 423 Q C -0.718 175.262 176.000 -0.032 0.000 0.987 423 Q CA -0.018 55.761 55.803 -0.039 0.000 0.896 423 Q CB 0.553 29.282 28.738 -0.015 0.000 1.241 423 Q HN 0.090 nan 8.270 nan 0.000 0.485 424 D N 0.455 120.841 120.400 -0.023 0.000 2.354 424 D HA 0.067 4.707 4.640 0.000 0.000 0.209 424 D C -0.182 176.115 176.300 -0.005 0.000 1.015 424 D CA 0.686 54.678 54.000 -0.015 0.000 0.867 424 D CB 0.570 41.364 40.800 -0.009 0.000 0.933 424 D HN 0.713 nan 8.370 nan 0.000 0.520 425 E N -1.065 119.133 120.200 -0.004 0.000 2.377 425 E HA 0.180 4.530 4.350 0.000 0.000 0.277 425 E C -1.479 175.126 176.600 0.008 0.000 1.190 425 E CA -0.761 55.642 56.400 0.006 0.000 0.917 425 E CB 0.479 30.187 29.700 0.013 0.000 1.296 425 E HN -0.295 nan 8.360 nan 0.000 0.417 426 I N 1.189 121.773 120.570 0.023 0.000 2.321 426 I HA 0.639 4.809 4.170 0.000 0.000 0.291 426 I C 0.051 176.201 176.117 0.055 0.000 0.998 426 I CA -0.389 60.932 61.300 0.035 0.000 1.227 426 I CB 0.583 38.608 38.000 0.041 0.000 1.368 426 I HN 0.757 nan 8.210 nan 0.000 0.466 427 A N 6.271 129.122 122.820 0.052 0.000 2.311 427 A HA 0.657 4.977 4.320 0.000 0.000 0.334 427 A C -0.219 177.469 177.584 0.172 0.000 1.139 427 A CA -0.630 51.467 52.037 0.100 0.000 0.830 427 A CB 1.161 20.107 19.000 -0.089 0.000 1.234 427 A HN 0.701 nan 8.150 nan 0.000 0.483 428 E N 0.552 120.915 120.200 0.272 0.000 2.134 428 E HA 0.481 4.831 4.350 0.000 0.000 0.278 428 E C -1.282 175.529 176.600 0.351 0.000 0.959 428 E CA -0.426 56.129 56.400 0.258 0.000 0.783 428 E CB 1.784 31.604 29.700 0.201 0.000 1.095 428 E HN 0.370 nan 8.360 nan 0.000 0.399 429 V N 2.325 122.448 119.914 0.349 0.000 2.513 429 V HA 0.459 4.579 4.120 0.000 0.000 0.299 429 V C 0.543 176.855 176.094 0.363 0.000 1.035 429 V CA -0.835 61.684 62.300 0.366 0.000 0.889 429 V CB 1.854 33.868 31.823 0.318 0.000 0.988 429 V HN 0.760 nan 8.190 nan 0.000 0.440 430 G N 3.048 111.987 108.800 0.232 0.000 2.372 430 G HA2 0.598 4.558 3.960 0.000 0.000 0.283 430 G HA3 0.598 4.558 3.960 0.000 0.000 0.283 430 G C -1.202 173.716 174.900 0.029 0.000 1.177 430 G CA -0.088 45.063 45.100 0.085 0.000 0.842 430 G HN 0.369 nan 8.290 nan 0.000 0.503 431 F N 2.873 122.813 119.950 -0.017 0.000 2.507 431 F HA 0.429 4.956 4.527 0.000 0.000 0.325 431 F C -1.799 173.982 175.800 -0.030 0.000 1.116 431 F CA -2.610 55.415 58.000 0.041 0.000 0.930 431 F CB 2.716 41.783 39.000 0.113 0.000 1.146 431 F HN 0.247 nan 8.300 nan 0.000 0.447 432 P HA 0.044 nan 4.420 nan 0.000 0.271 432 P C -1.446 175.776 177.300 -0.130 0.000 1.216 432 P CA 0.040 63.061 63.100 -0.133 0.000 0.776 432 P CB 1.049 32.661 31.700 -0.147 0.000 0.881 433 Y N 2.969 122.978 120.300 -0.486 0.000 2.331 433 Y HA 0.413 4.963 4.550 0.000 0.000 0.326 433 Y C -0.641 175.028 175.900 -0.385 0.000 1.020 433 Y CA -0.890 57.038 58.100 -0.286 0.000 1.136 433 Y CB 0.931 39.290 38.460 -0.168 0.000 1.157 433 Y HN 0.156 nan 8.280 nan 0.000 0.444 434 F N 2.686 122.356 119.950 -0.467 0.000 2.653 434 F HA 0.314 4.841 4.527 0.000 0.000 0.304 434 F C 1.924 177.451 175.800 -0.455 0.000 1.092 434 F CA 0.351 58.123 58.000 -0.381 0.000 1.279 434 F CB 0.563 39.406 39.000 -0.262 0.000 1.044 434 F HN 0.784 nan 8.300 nan 0.000 0.564 435 G N 0.376 108.694 108.800 -0.804 0.000 2.586 435 G HA2 -0.087 3.873 3.960 0.000 0.000 0.215 435 G HA3 -0.087 3.873 3.960 0.000 0.000 0.215 435 G C 1.774 176.732 174.900 0.097 0.000 1.128 435 G CA 0.899 45.958 45.100 -0.068 0.000 0.774 435 G HN 0.507 nan 8.290 nan 0.000 0.543 436 G N -0.556 108.251 108.800 0.011 0.000 2.887 436 G HA2 0.169 4.129 3.960 0.000 0.000 0.211 436 G HA3 0.169 4.129 3.960 0.000 0.000 0.211 436 G C 0.323 175.289 174.900 0.110 0.000 1.152 436 G CA -0.060 45.142 45.100 0.169 0.000 0.769 436 G HN 0.294 nan 8.290 nan 0.000 0.541 437 D N 0.109 120.559 120.400 0.083 0.000 2.478 437 D HA 0.541 5.181 4.640 0.000 0.000 0.274 437 D C 0.859 177.204 176.300 0.075 0.000 1.234 437 D CA 0.811 54.856 54.000 0.077 0.000 1.069 437 D CB 0.941 41.792 40.800 0.084 0.000 1.113 437 D HN 0.407 nan 8.370 nan 0.000 0.571 438 G N -1.033 107.802 108.800 0.059 0.000 2.440 438 G HA2 0.158 4.118 3.960 0.000 0.000 0.684 438 G HA3 0.158 4.118 3.960 0.000 0.000 0.684 438 G C 0.006 174.967 174.900 0.103 0.000 1.309 438 G CA -0.246 44.898 45.100 0.073 0.000 0.931 438 G HN 0.638 nan 8.290 nan 0.000 0.612 439 T N -2.076 112.581 114.554 0.171 0.000 2.729 439 T HA 0.542 4.892 4.350 0.000 0.000 0.298 439 T C 1.571 176.327 174.700 0.094 0.000 1.013 439 T CA 0.899 63.079 62.100 0.134 0.000 0.957 439 T CB 1.160 70.144 68.868 0.194 0.000 1.130 439 T HN 1.147 nan 8.240 nan 0.000 0.526 440 E N -0.023 120.119 120.200 -0.096 0.000 2.371 440 E HA -0.118 4.232 4.350 0.000 0.000 0.194 440 E C 1.358 177.800 176.600 -0.263 0.000 1.012 440 E CA 1.020 57.297 56.400 -0.204 0.000 0.860 440 E CB -0.711 28.796 29.700 -0.323 0.000 0.811 440 E HN 0.908 nan 8.360 nan 0.000 0.502 441 H N -0.486 118.541 119.070 -0.073 0.000 2.547 441 H HA 0.218 4.774 4.556 0.000 0.000 0.272 441 H C -0.343 174.679 175.328 -0.510 0.000 0.989 441 H CA 0.396 56.280 56.048 -0.273 0.000 1.214 441 H CB -0.071 29.486 29.762 -0.342 0.000 1.389 441 H HN 0.033 nan 8.280 nan 0.000 0.577 442 F N 0.457 120.498 119.950 0.151 0.000 2.540 442 F HA 0.285 4.812 4.527 0.000 0.000 0.317 442 F C -0.031 175.800 175.800 0.052 0.000 1.104 442 F CA -1.527 56.542 58.000 0.115 0.000 0.913 442 F CB 1.047 40.130 39.000 0.139 0.000 1.170 442 F HN -0.100 nan 8.300 nan 0.000 0.450 443 N N 3.004 121.806 118.700 0.169 0.000 2.441 443 N HA 0.209 4.949 4.740 0.000 0.000 0.251 443 N C -0.544 175.005 175.510 0.065 0.000 1.242 443 N CA -0.093 52.996 53.050 0.065 0.000 0.898 443 N CB 0.733 39.212 38.487 -0.012 0.000 1.100 443 N HN 0.689 nan 8.380 nan 0.000 0.443 444 K N -1.531 118.893 120.400 0.040 0.000 2.480 444 K HA 0.701 5.021 4.320 0.000 0.000 0.258 444 K C -1.478 175.145 176.600 0.038 0.000 0.990 444 K CA -0.971 55.351 56.287 0.060 0.000 0.857 444 K CB 1.465 34.033 32.500 0.113 0.000 1.384 444 K HN 0.095 nan 8.250 nan 0.000 0.446 445 V N 1.318 121.300 119.914 0.113 0.000 2.482 445 V HA 0.192 4.312 4.120 0.000 0.000 0.295 445 V C -0.916 175.365 176.094 0.313 0.000 1.026 445 V CA -0.644 61.754 62.300 0.163 0.000 0.856 445 V CB 1.382 33.275 31.823 0.116 0.000 1.001 445 V HN 0.884 nan 8.190 nan 0.000 0.424 446 E N 4.200 124.516 120.200 0.194 0.000 2.316 446 E HA 0.551 4.901 4.350 0.000 0.000 0.275 446 E C -0.404 176.262 176.600 0.110 0.000 1.029 446 E CA 0.310 56.818 56.400 0.180 0.000 0.871 446 E CB 0.864 30.621 29.700 0.096 0.000 1.022 446 E HN 0.597 nan 8.360 nan 0.000 0.418 447 L N 2.422 123.692 121.223 0.078 0.000 3.829 447 L HA 0.470 4.810 4.340 0.000 0.000 0.208 447 L C -0.437 176.382 176.870 -0.085 0.000 1.242 447 L CA -0.663 54.100 54.840 -0.127 0.000 1.266 447 L CB 0.466 42.215 42.059 -0.516 0.000 1.786 447 L HN 0.363 nan 8.230 nan 0.000 0.713 448 E N 0.536 120.675 120.200 -0.102 0.000 2.352 448 E HA 0.246 4.596 4.350 0.000 0.000 0.280 448 E C -0.570 176.042 176.600 0.020 0.000 0.930 448 E CA -0.342 56.025 56.400 -0.055 0.000 0.765 448 E CB 1.688 31.307 29.700 -0.135 0.000 1.219 448 E HN 0.211 nan 8.360 nan 0.000 0.434 449 N N -0.093 118.607 118.700 0.001 0.000 2.272 449 N HA -0.059 4.681 4.740 0.000 0.000 0.185 449 N C 0.389 175.836 175.510 -0.105 0.000 1.014 449 N CA 0.890 53.909 53.050 -0.052 0.000 0.870 449 N CB 0.492 38.934 38.487 -0.076 0.000 0.975 449 N HN 0.115 nan 8.380 nan 0.000 0.433 450 V N 2.098 121.944 119.914 -0.112 0.000 2.447 450 V HA 0.324 4.444 4.120 0.000 0.000 0.292 450 V C -0.262 175.716 176.094 -0.192 0.000 1.021 450 V CA -0.567 61.644 62.300 -0.148 0.000 0.850 450 V CB 2.077 33.773 31.823 -0.212 0.000 1.005 450 V HN -0.015 nan 8.190 nan 0.000 0.426 451 L N 5.607 126.728 121.223 -0.171 0.000 2.275 451 L HA 0.511 4.851 4.340 0.000 0.000 0.288 451 L C -0.682 175.990 176.870 -0.329 0.000 1.046 451 L CA -0.554 54.099 54.840 -0.312 0.000 0.805 451 L CB 1.370 43.187 42.059 -0.404 0.000 1.193 451 L HN 0.399 nan 8.230 nan 0.000 0.426 452 L N 4.244 125.242 121.223 -0.375 0.000 2.289 452 L HA 0.429 4.769 4.340 0.000 0.000 0.285 452 L C 0.080 176.735 176.870 -0.357 0.000 1.049 452 L CA 0.033 54.724 54.840 -0.248 0.000 0.804 452 L CB 0.639 42.592 42.059 -0.177 0.000 1.195 452 L HN 0.416 nan 8.230 nan 0.000 0.428 453 H N 2.133 121.242 119.070 0.065 0.000 2.731 453 H HA 0.449 5.005 4.556 0.000 0.000 0.368 453 H C -0.729 174.642 175.328 0.072 0.000 1.168 453 H CA -0.883 55.160 56.048 -0.009 0.000 1.181 453 H CB 1.877 31.534 29.762 -0.175 0.000 1.743 453 H HN 0.391 nan 8.280 nan 0.000 0.547 454 K N 2.251 122.757 120.400 0.177 0.000 2.253 454 K HA 0.321 4.641 4.320 0.000 0.000 0.277 454 K C -0.557 176.110 176.600 0.112 0.000 1.053 454 K CA -0.490 55.872 56.287 0.125 0.000 0.892 454 K CB 0.965 33.511 32.500 0.078 0.000 1.102 454 K HN 0.136 nan 8.250 nan 0.000 0.469 455 L N 5.385 126.683 121.223 0.125 0.000 2.329 455 L HA 0.460 4.800 4.340 0.000 0.000 0.279 455 L C -2.204 174.702 176.870 0.061 0.000 1.014 455 L CA -2.272 52.629 54.840 0.102 0.000 0.814 455 L CB 1.536 43.681 42.059 0.144 0.000 1.257 455 L HN 0.428 nan 8.230 nan 0.000 0.424 456 P HA 0.241 nan 4.420 nan 0.000 0.281 456 P C -0.607 176.706 177.300 0.022 0.000 1.252 456 P CA -0.069 63.048 63.100 0.029 0.000 0.778 456 P CB 1.755 33.473 31.700 0.029 0.000 0.895 457 V N 0.801 120.716 119.914 0.001 0.000 3.119 457 V HA 0.759 4.879 4.120 0.000 0.000 0.311 457 V C -0.763 175.330 176.094 -0.001 0.000 1.259 457 V CA -1.067 61.228 62.300 -0.008 0.000 1.067 457 V CB 2.318 34.102 31.823 -0.064 0.000 1.123 457 V HN 0.377 nan 8.190 nan 0.000 0.463 458 K N 0.325 120.735 120.400 0.017 0.000 2.542 458 K HA 0.515 4.835 4.320 0.000 0.000 0.259 458 K C -1.414 175.210 176.600 0.040 0.000 0.932 458 K CA -0.712 55.597 56.287 0.036 0.000 0.820 458 K CB 3.084 35.636 32.500 0.086 0.000 1.345 458 K HN 0.803 nan 8.250 nan 0.000 0.432 459 R N 3.267 123.786 120.500 0.032 0.000 2.297 459 R HA 0.478 4.818 4.340 0.000 0.000 0.308 459 R C -0.929 175.402 176.300 0.052 0.000 1.029 459 R CA -0.340 55.777 56.100 0.029 0.000 0.929 459 R CB 0.568 30.880 30.300 0.020 0.000 1.046 459 R HN 0.500 nan 8.270 nan 0.000 0.461 460 L N 2.798 124.049 121.223 0.046 0.000 2.341 460 L HA 0.404 4.744 4.340 0.000 0.000 0.267 460 L C -0.329 176.561 176.870 0.034 0.000 1.009 460 L CA -1.183 53.687 54.840 0.050 0.000 0.819 460 L CB 2.128 44.214 42.059 0.045 0.000 1.323 460 L HN 0.445 nan 8.230 nan 0.000 0.425 461 Q N 3.152 122.972 119.800 0.033 0.000 2.421 461 Q HA 0.439 4.779 4.340 0.000 0.000 0.242 461 Q C -0.668 175.343 176.000 0.019 0.000 1.024 461 Q CA -0.317 55.501 55.803 0.025 0.000 0.891 461 Q CB 1.269 30.022 28.738 0.025 0.000 1.222 461 Q HN 0.494 nan 8.270 nan 0.000 0.483 462 L N 0.907 122.140 121.223 0.016 0.000 2.461 462 L HA 0.100 4.440 4.340 0.000 0.000 0.272 462 L C 1.554 178.430 176.870 0.009 0.000 1.197 462 L CA -0.203 54.643 54.840 0.010 0.000 0.836 462 L CB 0.358 42.422 42.059 0.009 0.000 1.105 462 L HN 0.606 nan 8.230 nan 0.000 0.477 463 A N 1.698 124.522 122.820 0.006 0.000 2.194 463 A HA -0.185 4.135 4.320 0.000 0.000 0.220 463 A C 1.299 178.886 177.584 0.006 0.000 1.162 463 A CA 1.676 53.717 52.037 0.006 0.000 0.674 463 A CB -0.654 18.348 19.000 0.003 0.000 0.789 463 A HN 0.919 nan 8.150 nan 0.000 0.470 464 D N -3.239 117.165 120.400 0.006 0.000 2.368 464 D HA 0.344 4.984 4.640 0.000 0.000 0.218 464 D C 1.128 177.433 176.300 0.008 0.000 1.112 464 D CA 0.790 54.794 54.000 0.006 0.000 0.834 464 D CB -0.342 40.461 40.800 0.004 0.000 0.953 464 D HN 0.618 nan 8.370 nan 0.000 0.505 465 G N 0.662 109.467 108.800 0.010 0.000 2.420 465 G HA2 -0.332 3.628 3.960 0.000 0.000 0.221 465 G HA3 -0.332 3.628 3.960 0.000 0.000 0.221 465 G C 0.671 175.579 174.900 0.013 0.000 1.117 465 G CA 0.372 45.479 45.100 0.011 0.000 0.657 465 G HN 0.853 nan 8.290 nan 0.000 0.512 466 S N -0.119 115.589 115.700 0.013 0.000 2.612 466 S HA 0.578 5.048 4.470 0.000 0.000 0.253 466 S C 0.284 174.896 174.600 0.020 0.000 1.346 466 S CA 1.233 59.443 58.200 0.017 0.000 0.976 466 S CB 1.597 64.807 63.200 0.017 0.000 0.949 466 S HN 1.421 nan 8.310 nan 0.000 0.584 467 T N -1.049 113.519 114.554 0.024 0.000 2.916 467 T HA 0.719 5.069 4.350 0.000 0.000 0.292 467 T C -1.092 173.627 174.700 0.031 0.000 1.064 467 T CA -0.047 62.069 62.100 0.027 0.000 1.011 467 T CB 1.222 70.108 68.868 0.029 0.000 1.152 467 T HN 1.445 nan 8.240 nan 0.000 0.510 468 A N 2.362 125.198 122.820 0.027 0.000 2.604 468 A HA 0.725 5.045 4.320 0.000 0.000 0.295 468 A C -1.734 175.849 177.584 -0.001 0.000 1.067 468 A CA -0.716 51.335 52.037 0.023 0.000 0.683 468 A CB 1.053 20.067 19.000 0.022 0.000 1.281 468 A HN 0.805 nan 8.150 nan 0.000 0.407 469 L N 1.465 122.662 121.223 -0.042 0.000 2.325 469 L HA 0.737 5.077 4.340 0.000 0.000 0.279 469 L C 0.058 176.884 176.870 -0.072 0.000 1.054 469 L CA -0.867 53.912 54.840 -0.100 0.000 0.804 469 L CB 1.531 43.417 42.059 -0.289 0.000 1.200 469 L HN 0.778 nan 8.230 nan 0.000 0.436 470 V N -0.564 119.330 119.914 -0.034 0.000 3.130 470 V HA 0.909 5.029 4.120 0.000 0.000 0.310 470 V C -0.641 175.462 176.094 0.016 0.000 1.158 470 V CA -0.359 61.937 62.300 -0.007 0.000 1.029 470 V CB 2.140 33.976 31.823 0.020 0.000 1.057 470 V HN 0.810 nan 8.190 nan 0.000 0.436 471 T N 0.713 115.277 114.554 0.016 0.000 2.786 471 T HA 0.606 4.956 4.350 0.000 0.000 0.316 471 T C -0.451 174.267 174.700 0.030 0.000 1.503 471 T CA 0.288 62.413 62.100 0.042 0.000 1.019 471 T CB 1.701 70.588 68.868 0.031 0.000 1.415 471 T HN 1.761 nan 8.240 nan 0.000 0.496 472 T N 0.797 115.395 114.554 0.073 0.000 2.904 472 T HA 0.435 4.785 4.350 0.000 0.000 0.290 472 T C 1.717 176.447 174.700 0.050 0.000 1.018 472 T CA -0.419 61.725 62.100 0.073 0.000 1.075 472 T CB 0.976 69.926 68.868 0.136 0.000 0.986 472 T HN 0.397 nan 8.240 nan 0.000 0.523 473 V N 1.533 121.457 119.914 0.017 0.000 2.380 473 V HA -0.176 3.944 4.120 0.000 0.000 0.251 473 V C 2.037 178.200 176.094 0.114 0.000 1.063 473 V CA 1.980 64.279 62.300 -0.002 0.000 1.055 473 V CB -1.448 30.410 31.823 0.059 0.000 0.657 473 V HN 0.937 nan 8.190 nan 0.000 0.455 474 Y N 1.476 121.792 120.300 0.026 0.000 2.053 474 Y HA -0.298 4.252 4.550 0.000 0.000 0.277 474 Y C 2.553 178.460 175.900 0.013 0.000 1.159 474 Y CA 2.293 60.405 58.100 0.020 0.000 1.125 474 Y CB -0.431 38.038 38.460 0.014 0.000 0.969 474 Y HN 0.308 nan 8.280 nan 0.000 0.492 475 D N -0.004 120.523 120.400 0.212 0.000 2.104 475 D HA -0.197 4.443 4.640 0.000 0.000 0.194 475 D C 2.182 178.510 176.300 0.047 0.000 0.994 475 D CA 1.475 55.536 54.000 0.102 0.000 0.830 475 D CB -0.450 40.432 40.800 0.136 0.000 0.959 475 D HN 0.305 nan 8.370 nan 0.000 0.452 476 L N 1.026 122.311 121.223 0.105 0.000 2.079 476 L HA -0.142 4.198 4.340 0.000 0.000 0.210 476 L C 2.467 179.466 176.870 0.216 0.000 1.081 476 L CA 1.572 56.543 54.840 0.218 0.000 0.752 476 L CB -0.990 41.147 42.059 0.129 0.000 0.896 476 L HN 0.003 nan 8.230 nan 0.000 0.433 477 T N -1.156 113.461 114.554 0.105 0.000 2.812 477 T HA -0.099 4.251 4.350 0.000 0.000 0.264 477 T C 1.786 176.514 174.700 0.047 0.000 1.042 477 T CA 0.800 62.978 62.100 0.129 0.000 1.140 477 T CB -0.102 68.806 68.868 0.067 0.000 0.870 477 T HN 0.058 nan 8.240 nan 0.000 0.445 478 L N 1.081 122.194 121.223 -0.182 0.000 2.201 478 L HA 0.154 4.494 4.340 0.000 0.000 0.212 478 L C 2.642 179.396 176.870 -0.195 0.000 1.105 478 L CA 1.068 55.770 54.840 -0.231 0.000 0.775 478 L CB -1.128 40.733 42.059 -0.330 0.000 0.913 478 L HN 0.213 nan 8.230 nan 0.000 0.440 479 A N -0.514 122.140 122.820 -0.276 0.000 1.872 479 A HA -0.211 4.109 4.320 0.000 0.000 0.214 479 A C 2.210 179.256 177.584 -0.896 0.000 1.187 479 A CA 1.572 53.211 52.037 -0.664 0.000 0.614 479 A CB -0.727 17.920 19.000 -0.588 0.000 0.826 479 A HN 0.460 nan 8.150 nan 0.000 0.442 480 N N -1.363 117.028 118.700 -0.514 0.000 2.205 480 N HA -0.186 4.554 4.740 0.000 0.000 0.186 480 N C 1.227 176.677 175.510 -0.101 0.000 1.015 480 N CA 1.650 54.538 53.050 -0.270 0.000 0.862 480 N CB -0.452 38.137 38.487 0.170 0.000 0.986 480 N HN 0.543 nan 8.380 nan 0.000 0.429 481 Y N -0.616 119.645 120.300 -0.065 0.000 2.546 481 Y HA 0.207 4.757 4.550 0.000 0.000 0.287 481 Y C 1.617 177.521 175.900 0.006 0.000 1.158 481 Y CA 0.679 58.832 58.100 0.089 0.000 1.307 481 Y CB 0.018 38.529 38.460 0.085 0.000 1.036 481 Y HN 0.183 nan 8.280 nan 0.000 0.532 482 G N 0.376 109.103 108.800 -0.123 0.000 2.182 482 G HA2 -0.220 3.740 3.960 0.000 0.000 0.248 482 G HA3 -0.220 3.740 3.960 0.000 0.000 0.248 482 G C -0.431 174.491 174.900 0.037 0.000 1.042 482 G CA -0.342 44.658 45.100 -0.167 0.000 0.775 482 G HN 0.050 nan 8.290 nan 0.000 0.501 483 L N 0.644 121.869 121.223 0.004 0.000 2.265 483 L HA 0.476 4.816 4.340 0.000 0.000 0.288 483 L C 0.702 177.545 176.870 -0.046 0.000 1.058 483 L CA -0.692 54.159 54.840 0.019 0.000 0.809 483 L CB 1.186 43.198 42.059 -0.079 0.000 1.179 483 L HN 0.423 nan 8.230 nan 0.000 0.429 484 E N 3.795 123.990 120.200 -0.008 0.000 2.299 484 E HA 0.064 4.415 4.350 0.000 0.000 0.272 484 E C 0.274 176.857 176.600 -0.028 0.000 1.043 484 E CA 0.431 56.819 56.400 -0.020 0.000 0.895 484 E CB 0.419 30.115 29.700 -0.006 0.000 1.011 484 E HN 0.375 nan 8.360 nan 0.000 0.432 485 R N 3.288 123.771 120.500 -0.028 0.000 2.546 485 R HA 0.258 4.598 4.340 0.000 0.000 0.320 485 R C 0.721 177.016 176.300 -0.009 0.000 1.021 485 R CA 0.317 56.406 56.100 -0.020 0.000 1.088 485 R CB 0.652 30.941 30.300 -0.019 0.000 1.278 485 R HN 0.786 nan 8.270 nan 0.000 0.557 486 G N 0.701 109.496 108.800 -0.009 0.000 2.195 486 G HA2 -0.219 3.741 3.960 0.000 0.000 0.224 486 G HA3 -0.219 3.741 3.960 0.000 0.000 0.224 486 G C 0.422 175.321 174.900 -0.001 0.000 0.990 486 G CA -0.413 44.684 45.100 -0.006 0.000 0.639 486 G HN 0.149 nan 8.290 nan 0.000 0.514 487 L N 1.269 122.494 121.223 0.003 0.000 2.592 487 L HA 0.377 4.717 4.340 0.000 0.000 0.227 487 L C 0.856 177.732 176.870 0.010 0.000 1.127 487 L CA -0.114 54.732 54.840 0.010 0.000 0.884 487 L CB -0.601 41.469 42.059 0.019 0.000 1.065 487 L HN 0.361 nan 8.230 nan 0.000 0.457 488 N N 1.594 120.296 118.700 0.004 0.000 2.537 488 N HA -0.221 4.519 4.740 0.000 0.000 0.286 488 N C -0.407 175.107 175.510 0.007 0.000 1.245 488 N CA 0.601 53.652 53.050 0.002 0.000 0.704 488 N CB -0.704 37.782 38.487 -0.001 0.000 0.910 488 N HN 0.307 nan 8.380 nan 0.000 0.542 489 D N 1.301 121.708 120.400 0.011 0.000 2.349 489 D HA 0.309 4.949 4.640 0.000 0.000 0.232 489 D C 1.142 177.445 176.300 0.005 0.000 1.071 489 D CA -0.585 53.430 54.000 0.025 0.000 0.832 489 D CB 1.442 42.284 40.800 0.069 0.000 1.086 489 D HN 0.045 nan 8.370 nan 0.000 0.504 490 V N 4.130 124.032 119.914 -0.020 0.000 2.828 490 V HA -0.169 3.951 4.120 0.000 0.000 0.260 490 V C 1.591 177.646 176.094 -0.065 0.000 1.101 490 V CA 1.215 63.490 62.300 -0.042 0.000 1.123 490 V CB -0.414 31.378 31.823 -0.052 0.000 0.704 490 V HN 0.578 nan 8.190 nan 0.000 0.493 491 N N -1.475 117.183 118.700 -0.070 0.000 2.280 491 N HA 0.085 4.825 4.740 0.000 0.000 0.192 491 N C 0.275 175.795 175.510 0.016 0.000 1.109 491 N CA 0.144 53.128 53.050 -0.109 0.000 0.855 491 N CB 0.247 38.541 38.487 -0.321 0.000 0.974 491 N HN 0.377 nan 8.380 nan 0.000 0.482 492 C N 1.107 120.427 119.300 0.033 0.000 2.351 492 C HA 0.704 5.164 4.460 0.000 0.000 0.359 492 C C 1.048 176.029 174.990 -0.013 0.000 1.193 492 C CA -1.110 57.909 59.018 0.001 0.000 2.270 492 C CB 0.885 28.620 27.740 -0.008 0.000 2.369 492 C HN 0.363 nan 8.230 nan 0.000 0.553 493 A N 1.438 124.263 122.820 0.007 0.000 2.407 493 A HA 0.474 4.794 4.320 0.000 0.000 0.248 493 A C 1.108 178.719 177.584 0.045 0.000 1.082 493 A CA 0.413 52.470 52.037 0.034 0.000 0.785 493 A CB 0.173 19.230 19.000 0.094 0.000 1.020 493 A HN 1.050 nan 8.150 nan 0.000 0.489 494 T N -1.983 112.587 114.554 0.026 0.000 2.990 494 T HA 0.396 4.746 4.350 0.000 0.000 0.250 494 T C 0.516 175.208 174.700 -0.013 0.000 1.041 494 T CA 0.654 62.756 62.100 0.002 0.000 1.010 494 T CB -0.421 68.443 68.868 -0.007 0.000 1.003 494 T HN 1.780 nan 8.240 nan 0.000 0.499 495 S N -0.926 114.784 115.700 0.016 0.000 2.595 495 S HA 0.411 4.881 4.470 0.000 0.000 0.270 495 S C -0.227 174.449 174.600 0.127 0.000 1.145 495 S CA -0.973 57.211 58.200 -0.027 0.000 0.825 495 S CB -0.009 63.177 63.200 -0.025 0.000 1.107 495 S HN 0.132 nan 8.310 nan 0.000 0.461 496 Y N 0.365 120.722 120.300 0.096 0.000 2.497 496 Y HA -0.047 4.503 4.550 0.000 0.000 0.292 496 Y C 1.487 177.433 175.900 0.076 0.000 1.137 496 Y CA 0.457 58.627 58.100 0.116 0.000 1.285 496 Y CB 0.009 38.545 38.460 0.126 0.000 0.991 496 Y HN 0.625 nan 8.280 nan 0.000 0.556 497 D N -0.201 120.315 120.400 0.193 0.000 2.348 497 D HA -0.078 4.562 4.640 0.000 0.000 0.211 497 D C 0.152 176.506 176.300 0.090 0.000 0.998 497 D CA 0.595 54.667 54.000 0.121 0.000 0.873 497 D CB -0.176 40.672 40.800 0.080 0.000 0.925 497 D HN 0.227 nan 8.370 nan 0.000 0.524 498 D N 0.946 121.397 120.400 0.085 0.000 2.371 498 D HA -0.023 4.617 4.640 0.000 0.000 0.256 498 D C -0.141 176.191 176.300 0.052 0.000 1.193 498 D CA -0.133 53.897 54.000 0.050 0.000 0.881 498 D CB 0.990 41.810 40.800 0.033 0.000 1.143 498 D HN -0.248 nan 8.370 nan 0.000 0.473 499 V N 6.452 126.396 119.914 0.051 0.000 2.302 499 V HA 0.076 4.196 4.120 0.000 0.000 0.244 499 V C 0.760 176.869 176.094 0.024 0.000 1.160 499 V CA 0.215 62.568 62.300 0.088 0.000 1.127 499 V CB -0.579 31.298 31.823 0.090 0.000 1.253 499 V HN 0.358 nan 8.190 nan 0.000 0.496 500 K N 2.193 122.561 120.400 -0.054 0.000 2.197 500 K HA 0.682 5.002 4.320 0.000 0.000 0.247 500 K C 0.218 176.492 176.600 -0.543 0.000 1.077 500 K CA -0.900 55.245 56.287 -0.237 0.000 0.882 500 K CB 1.218 33.603 32.500 -0.193 0.000 1.396 500 K HN 0.319 nan 8.250 nan 0.000 0.482 501 A N 1.187 123.597 122.820 -0.683 0.000 2.899 501 A HA 0.094 4.414 4.320 0.000 0.000 0.290 501 A C -0.799 176.098 177.584 -1.145 0.000 1.768 501 A CA 0.573 51.923 52.037 -1.146 0.000 1.304 501 A CB -1.977 16.541 19.000 -0.803 0.000 0.990 501 A HN 0.665 nan 8.150 nan 0.000 0.596 502 Y N -0.509 119.142 120.300 -1.082 0.000 3.101 502 Y HA -0.240 4.310 4.550 0.000 0.000 0.165 502 Y C 0.880 176.501 175.900 -0.466 0.000 1.901 502 Y CA 0.242 57.856 58.100 -0.811 0.000 1.173 502 Y CB -2.362 35.732 38.460 -0.611 0.000 1.568 502 Y HN 0.891 nan 8.280 nan 0.000 0.405 503 T N -3.525 110.941 114.554 -0.148 0.000 2.950 503 T HA 0.522 4.872 4.350 0.000 0.000 0.288 503 T C -1.929 172.850 174.700 0.132 0.000 1.035 503 T CA -2.239 59.768 62.100 -0.155 0.000 1.028 503 T CB 2.661 71.486 68.868 -0.072 0.000 1.109 503 T HN -0.209 nan 8.240 nan 0.000 0.514 504 P HA -0.028 nan 4.420 nan 0.000 0.216 504 P C 1.595 178.969 177.300 0.123 0.000 1.150 504 P CA 1.438 64.593 63.100 0.092 0.000 0.837 504 P CB -0.224 31.484 31.700 0.013 0.000 0.786 505 A N -1.689 121.217 122.820 0.143 0.000 1.930 505 A HA -0.177 4.143 4.320 0.000 0.000 0.217 505 A C 2.167 179.829 177.584 0.130 0.000 1.175 505 A CA 1.227 53.334 52.037 0.116 0.000 0.627 505 A CB -1.875 17.193 19.000 0.115 0.000 0.815 505 A HN 0.272 nan 8.150 nan 0.000 0.443 506 W N 0.726 122.017 121.300 -0.015 0.000 2.354 506 W HA -0.102 4.558 4.660 0.000 0.000 0.315 506 W C 2.330 178.838 176.519 -0.017 0.000 1.206 506 W CA 2.245 59.580 57.345 -0.016 0.000 1.290 506 W CB -0.228 29.218 29.460 -0.023 0.000 1.152 506 W HN 0.304 nan 8.180 nan 0.000 0.489 507 A N 0.073 122.991 122.820 0.164 0.000 2.015 507 A HA -0.228 4.092 4.320 0.000 0.000 0.219 507 A C 1.951 179.407 177.584 -0.214 0.000 1.163 507 A CA 1.823 53.764 52.037 -0.161 0.000 0.646 507 A CB -1.051 18.052 19.000 0.172 0.000 0.806 507 A HN 0.579 nan 8.150 nan 0.000 0.448 508 E N -0.192 119.948 120.200 -0.099 0.000 2.118 508 E HA -0.272 4.078 4.350 0.000 0.000 0.195 508 E C 2.077 178.590 176.600 -0.146 0.000 0.992 508 E CA 1.512 57.856 56.400 -0.093 0.000 0.804 508 E CB -0.149 29.527 29.700 -0.039 0.000 0.741 508 E HN 0.782 nan 8.360 nan 0.000 0.458 509 Q N -0.217 119.461 119.800 -0.204 0.000 2.083 509 Q HA -0.127 4.213 4.340 0.000 0.000 0.198 509 Q C 2.280 178.118 176.000 -0.270 0.000 0.969 509 Q CA 1.033 56.709 55.803 -0.211 0.000 0.838 509 Q CB 0.088 28.698 28.738 -0.212 0.000 0.900 509 Q HN 0.383 nan 8.270 nan 0.000 0.436 510 I N 0.637 120.924 120.570 -0.472 0.000 2.193 510 I HA -0.195 3.975 4.170 0.000 0.000 0.240 510 I C 2.630 178.587 176.117 -0.267 0.000 1.084 510 I CA 1.951 62.964 61.300 -0.478 0.000 1.365 510 I CB -1.558 35.873 38.000 -0.948 0.000 1.064 510 I HN 0.351 nan 8.210 nan 0.000 0.410 511 T N -1.777 112.623 114.554 -0.255 0.000 2.937 511 T HA 0.165 4.515 4.350 0.000 0.000 0.260 511 T C 1.694 176.344 174.700 -0.083 0.000 1.051 511 T CA 1.160 63.184 62.100 -0.127 0.000 1.141 511 T CB 0.093 68.900 68.868 -0.102 0.000 0.879 511 T HN 0.492 nan 8.240 nan 0.000 0.459 512 G N 0.514 109.253 108.800 -0.100 0.000 2.176 512 G HA2 -0.186 3.774 3.960 0.000 0.000 0.232 512 G HA3 -0.186 3.774 3.960 0.000 0.000 0.232 512 G C 0.028 174.875 174.900 -0.088 0.000 0.986 512 G CA -0.068 44.984 45.100 -0.080 0.000 0.643 512 G HN 0.793 nan 8.290 nan 0.000 0.522 513 V N 1.804 121.662 119.914 -0.092 0.000 2.461 513 V HA 0.595 4.715 4.120 0.000 0.000 0.275 513 V C 1.343 177.394 176.094 -0.072 0.000 1.047 513 V CA 0.184 62.424 62.300 -0.100 0.000 0.955 513 V CB 1.454 33.215 31.823 -0.103 0.000 0.988 513 V HN 0.826 nan 8.190 nan 0.000 0.471 514 S N 5.826 121.484 115.700 -0.069 0.000 2.673 514 S HA -0.048 4.422 4.470 0.000 0.000 0.308 514 S C 1.773 176.361 174.600 -0.019 0.000 1.246 514 S CA 0.099 58.276 58.200 -0.040 0.000 1.077 514 S CB 0.176 63.354 63.200 -0.037 0.000 0.814 514 S HN 0.871 nan 8.310 nan 0.000 0.503 515 R N 3.813 124.314 120.500 0.001 0.000 2.133 515 R HA -0.149 4.191 4.340 0.000 0.000 0.247 515 R C 1.999 178.318 176.300 0.032 0.000 1.151 515 R CA 2.231 58.346 56.100 0.025 0.000 0.971 515 R CB -1.623 28.708 30.300 0.051 0.000 0.866 515 R HN 0.783 nan 8.270 nan 0.000 0.447 516 S N 0.644 116.365 115.700 0.035 0.000 2.402 516 S HA -0.117 4.353 4.470 0.000 0.000 0.229 516 S C 2.006 176.626 174.600 0.033 0.000 1.021 516 S CA 0.668 58.896 58.200 0.047 0.000 0.974 516 S CB -0.077 63.150 63.200 0.045 0.000 0.800 516 S HN 0.308 nan 8.310 nan 0.000 0.484 517 Q N 1.329 121.135 119.800 0.010 0.000 2.050 517 Q HA 0.075 4.415 4.340 0.000 0.000 0.202 517 Q C 2.363 178.363 176.000 -0.001 0.000 0.980 517 Q CA 1.376 57.178 55.803 -0.002 0.000 0.840 517 Q CB -0.581 28.134 28.738 -0.038 0.000 0.898 517 Q HN 0.633 nan 8.270 nan 0.000 0.424 518 I N 0.461 121.026 120.570 -0.009 0.000 2.163 518 I HA -0.302 3.868 4.170 0.000 0.000 0.243 518 I C 2.323 178.443 176.117 0.005 0.000 1.085 518 I CA 1.118 62.414 61.300 -0.006 0.000 1.347 518 I CB -0.361 37.642 38.000 0.006 0.000 1.044 518 I HN 0.133 nan 8.210 nan 0.000 0.408 519 I N 0.289 120.862 120.570 0.005 0.000 2.179 519 I HA -0.306 3.864 4.170 0.000 0.000 0.242 519 I C 2.831 178.988 176.117 0.066 0.000 1.088 519 I CA 1.326 62.632 61.300 0.010 0.000 1.357 519 I CB -0.447 37.580 38.000 0.045 0.000 1.051 519 I HN 0.197 nan 8.210 nan 0.000 0.409 520 R N 1.162 121.705 120.500 0.072 0.000 2.083 520 R HA -0.195 4.145 4.340 0.000 0.000 0.237 520 R C 2.263 178.622 176.300 0.099 0.000 1.137 520 R CA 1.739 57.893 56.100 0.090 0.000 0.951 520 R CB -0.062 30.286 30.300 0.080 0.000 0.851 520 R HN 0.213 nan 8.270 nan 0.000 0.434 521 I N 0.981 121.603 120.570 0.087 0.000 2.439 521 I HA -0.097 4.073 4.170 0.000 0.000 0.251 521 I C 2.517 178.685 176.117 0.086 0.000 1.139 521 I CA 1.207 62.575 61.300 0.114 0.000 1.438 521 I CB -1.566 36.488 38.000 0.089 0.000 1.085 521 I HN 0.280 nan 8.210 nan 0.000 0.427 522 A N 0.802 123.660 122.820 0.063 0.000 1.902 522 A HA -0.222 4.098 4.320 0.000 0.000 0.217 522 A C 2.566 180.226 177.584 0.126 0.000 1.181 522 A CA 1.622 53.699 52.037 0.067 0.000 0.623 522 A CB -0.612 18.424 19.000 0.060 0.000 0.818 522 A HN 0.300 nan 8.150 nan 0.000 0.443 523 R N -0.273 120.325 120.500 0.163 0.000 2.070 523 R HA -0.153 4.187 4.340 0.000 0.000 0.233 523 R C 2.184 178.571 176.300 0.146 0.000 1.137 523 R CA 1.809 58.066 56.100 0.261 0.000 0.945 523 R CB -0.297 30.146 30.300 0.239 0.000 0.845 523 R HN 0.697 nan 8.270 nan 0.000 0.430 524 E N -0.443 119.784 120.200 0.045 0.000 2.058 524 E HA -0.255 4.095 4.350 0.000 0.000 0.194 524 E C 1.808 178.155 176.600 -0.422 0.000 0.997 524 E CA 1.603 57.934 56.400 -0.116 0.000 0.801 524 E CB -0.286 29.379 29.700 -0.058 0.000 0.746 524 E HN 0.294 nan 8.360 nan 0.000 0.450 525 F N 1.327 120.874 119.950 -0.671 0.000 2.065 525 F HA -0.284 4.243 4.527 0.000 0.000 0.298 525 F C 2.288 177.857 175.800 -0.385 0.000 1.112 525 F CA 1.801 59.391 58.000 -0.684 0.000 1.212 525 F CB -0.235 38.575 39.000 -0.316 0.000 0.975 525 F HN -0.031 nan 8.300 nan 0.000 0.476 526 A N -0.655 122.103 122.820 -0.104 0.000 1.930 526 A HA -0.200 4.120 4.320 0.000 0.000 0.217 526 A C 1.911 179.221 177.584 -0.458 0.000 1.175 526 A CA 1.825 53.628 52.037 -0.390 0.000 0.627 526 A CB -1.095 17.359 19.000 -0.909 0.000 0.815 526 A HN 0.491 nan 8.150 nan 0.000 0.443 527 D N -0.049 120.166 120.400 -0.309 0.000 2.117 527 D HA -0.186 4.454 4.640 0.000 0.000 0.197 527 D C 1.781 178.048 176.300 -0.056 0.000 0.987 527 D CA 1.634 55.626 54.000 -0.013 0.000 0.829 527 D CB -0.332 40.551 40.800 0.138 0.000 0.961 527 D HN 0.486 nan 8.370 nan 0.000 0.460 528 N N -0.276 118.333 118.700 -0.151 0.000 2.058 528 N HA -0.144 4.596 4.740 0.000 0.000 0.191 528 N C 1.687 177.135 175.510 -0.103 0.000 1.037 528 N CA 2.167 55.135 53.050 -0.136 0.000 0.848 528 N CB -0.407 37.941 38.487 -0.231 0.000 1.021 528 N HN 0.165 nan 8.380 nan 0.000 0.422 529 A N -0.134 122.604 122.820 -0.137 0.000 1.940 529 A HA -0.194 4.126 4.320 0.000 0.000 0.219 529 A C 2.028 179.726 177.584 0.189 0.000 1.176 529 A CA 2.111 54.157 52.037 0.016 0.000 0.631 529 A CB -0.997 18.002 19.000 -0.002 0.000 0.814 529 A HN 0.560 nan 8.150 nan 0.000 0.446 530 D N -0.622 119.853 120.400 0.124 0.000 2.097 530 D HA -0.111 4.529 4.640 0.000 0.000 0.197 530 D C 1.910 178.179 176.300 -0.052 0.000 0.984 530 D CA 1.499 55.402 54.000 -0.161 0.000 0.826 530 D CB -0.154 40.471 40.800 -0.292 0.000 0.973 530 D HN 0.429 nan 8.370 nan 0.000 0.460 531 K N -1.153 119.239 120.400 -0.014 0.000 2.280 531 K HA -0.050 4.270 4.320 0.000 0.000 0.202 531 K C 1.556 178.156 176.600 -0.001 0.000 1.047 531 K CA 1.524 57.812 56.287 0.001 0.000 0.942 531 K CB 0.059 32.558 32.500 -0.002 0.000 0.739 531 K HN 0.319 nan 8.250 nan 0.000 0.457 532 T N -4.010 110.542 114.554 -0.004 0.000 3.040 532 T HA 0.076 4.426 4.350 0.000 0.000 0.266 532 T C -0.411 174.279 174.700 -0.018 0.000 1.005 532 T CA -0.436 61.648 62.100 -0.027 0.000 0.906 532 T CB 0.079 68.931 68.868 -0.027 0.000 1.082 532 T HN 0.172 nan 8.240 nan 0.000 0.531 533 H N 0.970 119.818 119.070 -0.370 0.000 2.889 533 H HA 0.027 4.583 4.556 0.000 0.000 0.324 533 H C 1.290 176.394 175.328 -0.373 0.000 1.274 533 H CA 0.800 56.331 56.048 -0.861 0.000 1.176 533 H CB -1.764 27.559 29.762 -0.732 0.000 1.479 533 H HN 1.004 nan 8.280 nan 0.000 0.438 534 G N 0.220 109.034 108.800 0.022 0.000 2.131 534 G HA2 -0.329 3.631 3.960 0.000 0.000 0.223 534 G HA3 -0.329 3.631 3.960 0.000 0.000 0.223 534 G C 0.679 175.609 174.900 0.050 0.000 0.990 534 G CA 0.022 45.197 45.100 0.126 0.000 0.671 534 G HN 0.586 nan 8.290 nan 0.000 0.521 535 R N 0.786 121.287 120.500 0.003 0.000 4.394 535 R HA 0.376 4.716 4.340 0.000 0.000 0.257 535 R C -0.117 176.141 176.300 -0.069 0.000 1.727 535 R CA 0.178 56.276 56.100 -0.003 0.000 1.497 535 R CB 0.231 30.534 30.300 0.006 0.000 1.406 535 R HN 0.226 nan 8.270 nan 0.000 0.745 536 S N 1.286 116.891 115.700 -0.158 0.000 2.500 536 S HA 0.554 5.024 4.470 0.000 0.000 0.301 536 S C -0.647 173.906 174.600 -0.080 0.000 1.092 536 S CA -0.622 57.358 58.200 -0.367 0.000 1.030 536 S CB 2.215 64.681 63.200 -1.223 0.000 1.031 536 S HN 0.325 nan 8.310 nan 0.000 0.483 537 M N 3.660 123.328 119.600 0.113 0.000 2.484 537 M HA 0.620 5.100 4.480 0.000 0.000 0.289 537 M C -2.228 174.274 176.300 0.338 0.000 1.206 537 M CA -0.664 54.780 55.300 0.239 0.000 0.892 537 M CB 1.450 34.146 32.600 0.159 0.000 1.712 537 M HN 0.617 nan 8.290 nan 0.000 0.462 538 I N 4.732 125.473 120.570 0.286 0.000 2.439 538 I HA 0.385 4.555 4.170 0.000 0.000 0.285 538 I C -0.997 175.160 176.117 0.066 0.000 1.021 538 I CA -0.564 60.874 61.300 0.230 0.000 1.091 538 I CB 1.915 40.067 38.000 0.254 0.000 1.242 538 I HN 0.632 nan 8.210 nan 0.000 0.439 539 I N 7.156 127.737 120.570 0.019 0.000 2.301 539 I HA 0.309 4.479 4.170 0.000 0.000 0.292 539 I C -0.219 175.872 176.117 -0.043 0.000 1.046 539 I CA -0.347 60.911 61.300 -0.068 0.000 1.282 539 I CB 1.420 39.316 38.000 -0.172 0.000 1.409 539 I HN 0.286 nan 8.210 nan 0.000 0.484 540 V N 6.339 126.173 119.914 -0.133 0.000 2.864 540 V HA 0.976 5.096 4.120 0.000 0.000 0.314 540 V C -0.007 176.066 176.094 -0.036 0.000 1.073 540 V CA -0.025 62.217 62.300 -0.097 0.000 0.956 540 V CB 1.892 33.532 31.823 -0.305 0.000 1.023 540 V HN 0.815 nan 8.190 nan 0.000 0.435 541 G N 2.292 111.122 108.800 0.049 0.000 2.911 541 G HA2 0.584 4.544 3.960 0.000 0.000 0.299 541 G HA3 0.584 4.544 3.960 0.000 0.000 0.299 541 G C 0.645 175.582 174.900 0.061 0.000 1.283 541 G CA 0.038 45.157 45.100 0.031 0.000 0.805 541 G HN 1.387 nan 8.290 nan 0.000 0.548 542 A N -0.714 122.013 122.820 -0.154 0.000 2.148 542 A HA 0.084 4.404 4.320 0.000 0.000 0.222 542 A C 2.443 179.930 177.584 -0.161 0.000 1.161 542 A CA 2.557 54.353 52.037 -0.401 0.000 0.662 542 A CB -0.942 17.480 19.000 -0.964 0.000 0.799 542 A HN 1.499 nan 8.150 nan 0.000 0.466 543 G N -1.053 107.749 108.800 0.004 0.000 2.462 543 G HA2 -0.020 3.940 3.960 0.000 0.000 0.220 543 G HA3 -0.020 3.940 3.960 0.000 0.000 0.220 543 G C 1.218 176.354 174.900 0.394 0.000 1.121 543 G CA 1.319 46.516 45.100 0.160 0.000 0.758 543 G HN 0.425 nan 8.290 nan 0.000 0.559 544 L N -0.817 120.625 121.223 0.366 0.000 2.547 544 L HA 0.348 4.688 4.340 0.000 0.000 0.218 544 L C 1.886 179.087 176.870 0.552 0.000 1.048 544 L CA 0.424 55.553 54.840 0.482 0.000 0.859 544 L CB -0.432 41.791 42.059 0.273 0.000 1.128 544 L HN 0.068 nan 8.230 nan 0.000 0.483 545 N N -0.828 118.133 118.700 0.435 0.000 2.550 545 N HA -0.106 4.634 4.740 0.000 0.000 0.186 545 N C 1.196 176.869 175.510 0.271 0.000 1.110 545 N CA 0.811 53.995 53.050 0.223 0.000 0.912 545 N CB -0.042 38.518 38.487 0.121 0.000 0.968 545 N HN 0.439 nan 8.380 nan 0.000 0.448 546 H N -2.485 116.600 119.070 0.026 0.000 2.520 546 H HA 0.094 4.650 4.556 0.000 0.000 0.284 546 H C -0.489 174.702 175.328 -0.230 0.000 1.037 546 H CA -0.554 55.411 56.048 -0.140 0.000 1.168 546 H CB 0.330 29.966 29.762 -0.209 0.000 1.497 546 H HN 0.182 nan 8.280 nan 0.000 0.547 547 W N -0.207 121.153 121.300 0.101 0.000 2.375 547 W HA 0.083 4.743 4.660 0.000 0.000 0.336 547 W C 1.137 177.669 176.519 0.021 0.000 1.160 547 W CA -0.733 56.656 57.345 0.073 0.000 1.266 547 W CB 0.459 29.971 29.460 0.085 0.000 1.195 547 W HN 0.091 nan 8.180 nan 0.000 0.599 548 Y N 0.907 121.252 120.300 0.074 0.000 2.207 548 Y HA -0.265 4.285 4.550 0.000 0.000 0.287 548 Y C 1.797 177.563 175.900 -0.223 0.000 1.156 548 Y CA 1.897 59.903 58.100 -0.157 0.000 1.182 548 Y CB 0.050 38.321 38.460 -0.315 0.000 0.979 548 Y HN 0.300 nan 8.280 nan 0.000 0.521 549 H N 1.356 120.530 119.070 0.174 0.000 2.605 549 H HA 0.119 4.675 4.556 0.000 0.000 0.308 549 H C 1.991 177.333 175.328 0.022 0.000 1.080 549 H CA 0.562 56.617 56.048 0.013 0.000 1.119 549 H CB -0.501 29.232 29.762 -0.048 0.000 1.479 549 H HN 0.548 nan 8.280 nan 0.000 0.537 550 L N -1.503 119.798 121.223 0.131 0.000 2.089 550 L HA -0.189 4.151 4.340 0.000 0.000 0.213 550 L C 1.425 178.323 176.870 0.046 0.000 1.079 550 L CA 1.718 56.619 54.840 0.101 0.000 0.758 550 L CB -0.230 41.810 42.059 -0.032 0.000 0.891 550 L HN -0.078 nan 8.230 nan 0.000 0.433 551 D N 0.375 120.782 120.400 0.011 0.000 2.149 551 D HA -0.159 4.481 4.640 0.000 0.000 0.198 551 D C 2.342 178.648 176.300 0.011 0.000 0.990 551 D CA 1.511 55.510 54.000 -0.002 0.000 0.839 551 D CB -0.167 40.645 40.800 0.020 0.000 0.948 551 D HN 0.382 nan 8.370 nan 0.000 0.460 552 M N 0.477 120.083 119.600 0.009 0.000 2.123 552 M HA -0.068 4.412 4.480 0.000 0.000 0.263 552 M C 1.778 178.062 176.300 -0.027 0.000 1.069 552 M CA 0.883 56.160 55.300 -0.039 0.000 1.133 552 M CB -1.157 31.385 32.600 -0.096 0.000 1.356 552 M HN -0.036 nan 8.290 nan 0.000 0.415 553 N N 0.089 118.803 118.700 0.022 0.000 2.061 553 N HA -0.188 4.552 4.740 0.000 0.000 0.193 553 N C 1.716 177.207 175.510 -0.032 0.000 1.030 553 N CA 1.500 54.543 53.050 -0.012 0.000 0.856 553 N CB -0.473 38.061 38.487 0.079 0.000 1.023 553 N HN 0.311 nan 8.380 nan 0.000 0.424 554 Y N 1.206 121.436 120.300 -0.116 0.000 2.133 554 Y HA 0.023 4.573 4.550 0.000 0.000 0.287 554 Y C 2.351 178.141 175.900 -0.183 0.000 1.134 554 Y CA 1.048 59.090 58.100 -0.097 0.000 1.133 554 Y CB -0.291 38.154 38.460 -0.024 0.000 0.987 554 Y HN 0.013 nan 8.280 nan 0.000 0.502 555 R N -0.545 119.920 120.500 -0.058 0.000 2.200 555 R HA -0.135 4.205 4.340 0.000 0.000 0.234 555 R C 2.457 178.645 176.300 -0.187 0.000 1.127 555 R CA 0.962 56.955 56.100 -0.180 0.000 0.989 555 R CB -0.785 29.421 30.300 -0.158 0.000 0.869 555 R HN 0.431 nan 8.270 nan 0.000 0.459 556 G N 1.007 109.705 108.800 -0.171 0.000 2.404 556 G HA2 -0.221 3.739 3.960 0.000 0.000 0.215 556 G HA3 -0.221 3.739 3.960 0.000 0.000 0.215 556 G C 1.198 175.960 174.900 -0.230 0.000 1.174 556 G CA 0.374 45.368 45.100 -0.176 0.000 0.780 556 G HN 0.061 nan 8.290 nan 0.000 0.537 557 L N 0.702 121.727 121.223 -0.329 0.000 2.093 557 L HA 0.109 4.449 4.340 0.000 0.000 0.208 557 L C 2.815 179.582 176.870 -0.171 0.000 1.085 557 L CA 0.938 55.589 54.840 -0.315 0.000 0.755 557 L CB -0.511 41.304 42.059 -0.406 0.000 0.904 557 L HN 0.220 nan 8.230 nan 0.000 0.435 558 I N -0.785 119.670 120.570 -0.192 0.000 2.226 558 I HA -0.327 3.843 4.170 0.000 0.000 0.245 558 I C 2.122 178.060 176.117 -0.299 0.000 1.100 558 I CA 1.367 62.542 61.300 -0.208 0.000 1.374 558 I CB -0.449 37.301 38.000 -0.417 0.000 1.057 558 I HN 0.411 nan 8.210 nan 0.000 0.413 559 N N 0.644 119.098 118.700 -0.410 0.000 2.120 559 N HA -0.184 4.556 4.740 0.000 0.000 0.188 559 N C 2.016 176.980 175.510 -0.910 0.000 1.024 559 N CA 1.229 53.800 53.050 -0.799 0.000 0.852 559 N CB -0.097 37.985 38.487 -0.675 0.000 1.003 559 N HN 0.270 nan 8.380 nan 0.000 0.424 560 M N 0.699 120.059 119.600 -0.400 0.000 2.082 560 M HA -0.196 4.284 4.480 0.000 0.000 0.258 560 M C 2.002 178.253 176.300 -0.082 0.000 1.069 560 M CA 1.522 56.718 55.300 -0.174 0.000 1.102 560 M CB -0.323 32.177 32.600 -0.167 0.000 1.336 560 M HN 0.169 nan 8.290 nan 0.000 0.404 561 L N -0.442 120.757 121.223 -0.040 0.000 2.056 561 L HA -0.185 4.155 4.340 0.000 0.000 0.207 561 L C 2.343 179.175 176.870 -0.063 0.000 1.078 561 L CA 1.086 55.974 54.840 0.080 0.000 0.749 561 L CB -0.545 41.622 42.059 0.180 0.000 0.901 561 L HN 0.312 nan 8.230 nan 0.000 0.433 562 I N -0.776 119.712 120.570 -0.137 0.000 2.202 562 I HA -0.301 3.869 4.170 0.000 0.000 0.242 562 I C 2.412 178.501 176.117 -0.046 0.000 1.091 562 I CA 1.563 62.825 61.300 -0.063 0.000 1.368 562 I CB -0.326 37.602 38.000 -0.120 0.000 1.058 562 I HN 0.139 nan 8.210 nan 0.000 0.410 563 F N 0.247 120.114 119.950 -0.137 0.000 2.202 563 F HA -0.272 4.255 4.527 0.000 0.000 0.301 563 F C 2.206 177.717 175.800 -0.482 0.000 1.082 563 F CA 0.408 58.304 58.000 -0.173 0.000 1.313 563 F CB -0.386 38.488 39.000 -0.211 0.000 1.024 563 F HN 0.194 nan 8.300 nan 0.000 0.495 564 C N 0.466 119.443 119.300 -0.540 0.000 2.693 564 C HA 0.361 4.821 4.460 0.000 0.000 0.286 564 C C 1.676 176.166 174.990 -0.832 0.000 1.277 564 C CA 0.094 58.306 59.018 -1.343 0.000 1.705 564 C CB -1.153 26.203 27.740 -0.639 0.000 1.879 564 C HN 0.708 nan 8.230 nan 0.000 0.607 565 G N 0.388 108.661 108.800 -0.878 0.000 2.356 565 G HA2 -0.309 3.651 3.960 0.000 0.000 0.296 565 G HA3 -0.309 3.651 3.960 0.000 0.000 0.296 565 G C 0.482 174.976 174.900 -0.676 0.000 1.022 565 G CA 0.554 44.634 45.100 -1.700 0.000 0.961 565 G HN 0.626 nan 8.290 nan 0.000 0.510 566 C N -1.111 118.015 119.300 -0.289 0.000 2.590 566 C HA 0.275 4.735 4.460 0.000 0.000 0.272 566 C C 1.771 176.843 174.990 0.137 0.000 1.338 566 C CA 0.139 59.161 59.018 0.007 0.000 1.746 566 C CB -0.368 27.399 27.740 0.044 0.000 2.020 566 C HN 0.500 nan 8.230 nan 0.000 0.531 567 V N 1.693 121.720 119.914 0.189 0.000 2.637 567 V HA 0.461 4.581 4.120 0.000 0.000 0.296 567 V C 1.326 177.602 176.094 0.305 0.000 1.046 567 V CA 1.713 64.171 62.300 0.263 0.000 1.066 567 V CB 0.361 32.355 31.823 0.285 0.000 0.968 567 V HN 0.713 nan 8.190 nan 0.000 0.483 568 G N 3.362 112.307 108.800 0.241 0.000 2.175 568 G HA2 -0.171 3.789 3.960 0.000 0.000 0.244 568 G HA3 -0.171 3.789 3.960 0.000 0.000 0.244 568 G C 0.081 175.175 174.900 0.322 0.000 0.982 568 G CA -0.207 45.027 45.100 0.224 0.000 0.641 568 G HN 0.586 nan 8.290 nan 0.000 0.527 569 Q N 0.601 120.597 119.800 0.327 0.000 2.331 569 Q HA 0.544 4.884 4.340 0.000 0.000 0.267 569 Q C 0.116 176.283 176.000 0.279 0.000 1.006 569 Q CA -0.210 55.811 55.803 0.362 0.000 0.818 569 Q CB 1.812 30.736 28.738 0.310 0.000 1.276 569 Q HN 0.329 nan 8.270 nan 0.000 0.450 570 S N 0.782 116.644 115.700 0.271 0.000 2.563 570 S HA 0.229 4.699 4.470 0.000 0.000 0.294 570 S C 1.147 175.822 174.600 0.125 0.000 1.279 570 S CA 1.469 59.752 58.200 0.139 0.000 1.069 570 S CB -0.154 63.083 63.200 0.061 0.000 0.828 570 S HN 0.914 nan 8.310 nan 0.000 0.497 571 G N 2.877 111.749 108.800 0.121 0.000 2.176 571 G HA2 -0.077 3.883 3.960 0.000 0.000 0.253 571 G HA3 -0.077 3.883 3.960 0.000 0.000 0.253 571 G C 0.394 175.363 174.900 0.114 0.000 0.979 571 G CA 0.028 45.195 45.100 0.112 0.000 0.641 571 G HN 1.398 nan 8.290 nan 0.000 0.530 572 G N -1.708 107.176 108.800 0.140 0.000 2.694 572 G HA2 0.974 4.934 3.960 0.000 0.000 0.290 572 G HA3 0.974 4.934 3.960 0.000 0.000 0.290 572 G C 0.276 175.285 174.900 0.181 0.000 1.386 572 G CA 0.809 45.989 45.100 0.134 0.000 0.872 572 G HN 2.092 nan 8.290 nan 0.000 0.475 573 G N -1.544 107.378 108.800 0.203 0.000 2.373 573 G HA2 0.210 4.170 3.960 0.000 0.000 0.634 573 G HA3 0.210 4.170 3.960 0.000 0.000 0.634 573 G C -1.407 173.682 174.900 0.315 0.000 1.267 573 G CA -0.165 45.086 45.100 0.253 0.000 1.008 573 G HN 1.546 nan 8.290 nan 0.000 0.497 574 W N 1.846 123.211 121.300 0.108 0.000 2.317 574 W HA 0.689 5.349 4.660 0.000 0.000 0.327 574 W C 0.348 176.895 176.519 0.046 0.000 1.036 574 W CA -0.179 57.228 57.345 0.104 0.000 1.419 574 W CB 0.571 30.160 29.460 0.216 0.000 1.253 574 W HN 1.159 nan 8.180 nan 0.000 0.392 575 A N 5.528 128.174 122.820 -0.289 0.000 2.736 575 A HA 0.201 4.521 4.320 0.000 0.000 0.335 575 A C -1.077 175.888 177.584 -1.031 0.000 1.446 575 A CA -0.500 51.210 52.037 -0.546 0.000 1.028 575 A CB -0.637 18.328 19.000 -0.059 0.000 1.154 575 A HN 0.696 nan 8.150 nan 0.000 0.507 576 H N 1.510 119.699 119.070 -1.468 0.000 2.668 576 H HA 0.529 5.085 4.556 0.000 0.000 0.303 576 H C -1.729 173.078 175.328 -0.868 0.000 1.074 576 H CA 0.061 55.436 56.048 -1.122 0.000 1.406 576 H CB 0.070 29.009 29.762 -1.371 0.000 1.442 576 H HN 0.485 nan 8.280 nan 0.000 0.482 577 Y N 5.320 125.318 120.300 -0.502 0.000 2.327 577 Y HA 0.318 4.868 4.550 0.000 0.000 0.325 577 Y C 0.063 175.752 175.900 -0.352 0.000 0.999 577 Y CA -0.504 57.394 58.100 -0.338 0.000 1.195 577 Y CB 0.980 39.376 38.460 -0.107 0.000 1.132 577 Y HN 0.532 nan 8.280 nan 0.000 0.455 578 V N -0.311 119.508 119.914 -0.158 0.000 5.417 578 V HA 0.834 4.954 4.120 0.000 0.000 0.119 578 V C 0.795 176.962 176.094 0.121 0.000 0.870 578 V CA 0.029 62.294 62.300 -0.058 0.000 1.384 578 V CB -0.301 31.502 31.823 -0.034 0.000 2.364 578 V HN 0.669 nan 8.190 nan 0.000 0.411 579 G N -0.361 108.599 108.800 0.268 0.000 2.562 579 G HA2 0.438 4.398 3.960 0.000 0.000 0.275 579 G HA3 0.438 4.398 3.960 0.000 0.000 0.275 579 G C -0.364 174.675 174.900 0.232 0.000 1.196 579 G CA -0.312 44.988 45.100 0.333 0.000 0.908 579 G HN 0.623 nan 8.290 nan 0.000 0.524 580 Q N -0.031 119.868 119.800 0.165 0.000 3.181 580 Q HA 0.119 4.459 4.340 0.000 0.000 0.293 580 Q C 0.811 176.797 176.000 -0.022 0.000 1.406 580 Q CA -0.238 55.588 55.803 0.038 0.000 1.026 580 Q CB 0.086 28.824 28.738 0.001 0.000 1.630 580 Q HN 0.663 nan 8.270 nan 0.000 0.553 581 E N 0.158 120.348 120.200 -0.017 0.000 2.502 581 E HA -0.057 4.293 4.350 0.000 0.000 0.194 581 E C -0.076 176.421 176.600 -0.171 0.000 1.062 581 E CA 0.343 56.670 56.400 -0.121 0.000 0.867 581 E CB 0.157 29.623 29.700 -0.389 0.000 0.888 581 E HN 0.089 nan 8.360 nan 0.000 0.510 582 K N 1.408 121.682 120.400 -0.210 0.000 2.142 582 K HA 0.206 4.526 4.320 0.000 0.000 0.250 582 K C -0.785 175.615 176.600 -0.333 0.000 1.148 582 K CA -0.340 55.747 56.287 -0.334 0.000 1.040 582 K CB -0.202 32.008 32.500 -0.483 0.000 1.569 582 K HN 0.242 nan 8.250 nan 0.000 0.361 583 L N 4.871 125.952 121.223 -0.238 0.000 2.334 583 L HA 0.177 4.517 4.340 0.000 0.000 0.286 583 L C 0.951 177.779 176.870 -0.069 0.000 1.108 583 L CA -0.218 54.468 54.840 -0.257 0.000 0.875 583 L CB 0.222 42.004 42.059 -0.463 0.000 1.246 583 L HN 0.609 nan 8.230 nan 0.000 0.439 584 R N 3.847 124.264 120.500 -0.140 0.000 2.083 584 R HA -0.068 4.272 4.340 0.000 0.000 0.237 584 R C -1.101 175.360 176.300 0.268 0.000 1.137 584 R CA 1.259 57.353 56.100 -0.009 0.000 0.951 584 R CB -1.225 28.964 30.300 -0.185 0.000 0.851 584 R HN 0.603 nan 8.270 nan 0.000 0.434 585 P HA -0.004 nan 4.420 nan 0.000 0.228 585 P C -0.217 177.235 177.300 0.252 0.000 1.748 585 P CA 0.276 63.486 63.100 0.183 0.000 0.909 585 P CB 0.662 32.438 31.700 0.126 0.000 1.882 586 Q N 2.312 122.296 119.800 0.306 0.000 1.943 586 Q HA -0.219 4.121 4.340 0.000 0.000 0.213 586 Q C 1.924 178.137 176.000 0.355 0.000 1.017 586 Q CA 3.523 59.533 55.803 0.344 0.000 0.874 586 Q CB -1.420 27.463 28.738 0.243 0.000 0.960 586 Q HN 0.335 nan 8.270 nan 0.000 0.417 587 T N -3.178 111.528 114.554 0.253 0.000 3.155 587 T HA 0.040 4.390 4.350 0.000 0.000 0.264 587 T C 1.479 176.314 174.700 0.225 0.000 1.160 587 T CA 0.799 63.038 62.100 0.231 0.000 1.075 587 T CB -0.312 68.727 68.868 0.286 0.000 0.921 587 T HN 0.416 nan 8.240 nan 0.000 0.533 588 G N -0.496 108.452 108.800 0.246 0.000 2.595 588 G HA2 0.097 4.058 3.960 0.000 0.000 0.213 588 G HA3 0.097 4.058 3.960 0.000 0.000 0.213 588 G C 1.097 176.116 174.900 0.197 0.000 1.141 588 G CA -0.005 45.213 45.100 0.197 0.000 0.806 588 G HN 0.614 nan 8.290 nan 0.000 0.530 589 W N 1.095 122.430 121.300 0.057 0.000 2.539 589 W HA 0.174 4.834 4.660 0.000 0.000 0.281 589 W C 2.473 178.998 176.519 0.010 0.000 1.220 589 W CA 0.800 58.160 57.345 0.026 0.000 1.332 589 W CB 0.191 29.668 29.460 0.028 0.000 1.095 589 W HN 0.200 nan 8.180 nan 0.000 0.571 590 Q N 0.725 120.475 119.800 -0.083 0.000 2.077 590 Q HA -0.221 4.119 4.340 0.000 0.000 0.206 590 Q C -0.208 175.622 176.000 -0.282 0.000 0.989 590 Q CA 2.425 58.053 55.803 -0.291 0.000 0.853 590 Q CB -1.680 27.145 28.738 0.144 0.000 0.907 590 Q HN 0.246 nan 8.270 nan 0.000 0.418 591 P HA -0.166 nan 4.420 nan 0.000 0.218 591 P C 1.355 178.552 177.300 -0.171 0.000 1.149 591 P CA 0.999 64.036 63.100 -0.106 0.000 0.817 591 P CB 0.038 31.698 31.700 -0.066 0.000 0.785 592 L N 0.228 121.297 121.223 -0.256 0.000 2.044 592 L HA 0.068 4.408 4.340 0.000 0.000 0.205 592 L C 2.472 179.127 176.870 -0.360 0.000 1.075 592 L CA 2.032 56.727 54.840 -0.241 0.000 0.747 592 L CB -1.466 40.481 42.059 -0.186 0.000 0.903 592 L HN -0.112 nan 8.230 nan 0.000 0.435 593 A N -1.342 121.034 122.820 -0.740 0.000 2.014 593 A HA -0.049 4.271 4.320 0.000 0.000 0.218 593 A C 1.632 178.717 177.584 -0.833 0.000 1.163 593 A CA 1.474 52.982 52.037 -0.882 0.000 0.652 593 A CB -0.752 17.304 19.000 -1.574 0.000 0.808 593 A HN 0.530 nan 8.150 nan 0.000 0.449 594 F N -1.684 118.160 119.950 -0.176 0.000 2.698 594 F HA 0.491 5.018 4.527 0.000 0.000 0.304 594 F C 1.285 177.020 175.800 -0.107 0.000 1.108 594 F CA 0.282 58.208 58.000 -0.123 0.000 1.263 594 F CB 0.395 39.326 39.000 -0.115 0.000 1.013 594 F HN 0.220 nan 8.300 nan 0.000 0.532 595 A N 0.869 123.687 122.820 -0.004 0.000 2.783 595 A HA -0.244 4.076 4.320 0.000 0.000 0.292 595 A C 1.053 178.683 177.584 0.077 0.000 1.495 595 A CA 0.726 52.791 52.037 0.047 0.000 0.787 595 A CB -2.262 16.763 19.000 0.041 0.000 1.017 595 A HN 0.570 nan 8.150 nan 0.000 0.516 596 L N -0.210 121.036 121.223 0.038 0.000 2.610 596 L HA -0.037 4.303 4.340 0.000 0.000 0.232 596 L C 2.042 178.895 176.870 -0.028 0.000 1.149 596 L CA 0.885 55.732 54.840 0.012 0.000 0.872 596 L CB -0.331 41.734 42.059 0.009 0.000 0.992 596 L HN 0.763 nan 8.230 nan 0.000 0.447 597 D N -1.430 118.954 120.400 -0.027 0.000 2.347 597 D HA -0.158 4.482 4.640 0.000 0.000 0.213 597 D C 1.594 177.731 176.300 -0.271 0.000 0.985 597 D CA 0.480 54.393 54.000 -0.145 0.000 0.879 597 D CB 0.025 40.737 40.800 -0.146 0.000 0.919 597 D HN 0.375 nan 8.370 nan 0.000 0.526 598 W N 0.660 121.921 121.300 -0.065 0.000 3.298 598 W HA 0.267 4.927 4.660 0.000 0.000 0.239 598 W C 0.559 177.038 176.519 -0.067 0.000 1.082 598 W CA -0.066 57.242 57.345 -0.062 0.000 1.711 598 W CB 0.773 30.196 29.460 -0.062 0.000 0.944 598 W HN -0.237 nan 8.180 nan 0.000 0.712 599 Q N 0.394 120.293 119.800 0.165 0.000 2.359 599 Q HA 0.627 4.967 4.340 0.000 0.000 0.274 599 Q C -1.105 174.897 176.000 0.004 0.000 1.074 599 Q CA -0.869 54.969 55.803 0.060 0.000 0.810 599 Q CB 2.989 31.746 28.738 0.031 0.000 1.342 599 Q HN -0.265 nan 8.270 nan 0.000 0.427 600 R N 1.500 121.985 120.500 -0.026 0.000 2.532 600 R HA 0.555 4.895 4.340 0.000 0.000 0.297 600 R C -2.488 173.774 176.300 -0.063 0.000 0.984 600 R CA -1.267 54.801 56.100 -0.052 0.000 0.884 600 R CB 1.756 32.018 30.300 -0.063 0.000 1.182 600 R HN 0.464 nan 8.270 nan 0.000 0.442 601 P HA 0.564 nan 4.420 nan 0.000 0.307 601 P C -1.194 176.030 177.300 -0.127 0.000 1.307 601 P CA -0.619 62.425 63.100 -0.095 0.000 0.814 601 P CB 1.400 33.044 31.700 -0.094 0.000 1.311 602 A N 0.183 122.872 122.820 -0.219 0.000 2.298 602 A HA 0.563 4.883 4.320 0.000 0.000 0.302 602 A C 0.101 177.450 177.584 -0.391 0.000 1.177 602 A CA -0.777 51.068 52.037 -0.320 0.000 0.912 602 A CB 0.500 19.221 19.000 -0.464 0.000 1.331 602 A HN 0.443 nan 8.150 nan 0.000 0.504 603 R N 0.582 120.845 120.500 -0.396 0.000 2.666 603 R HA 0.253 4.593 4.340 0.000 0.000 0.275 603 R C -1.106 174.977 176.300 -0.361 0.000 1.266 603 R CA -0.059 55.871 56.100 -0.284 0.000 1.401 603 R CB 0.018 30.237 30.300 -0.136 0.000 1.145 603 R HN 0.787 nan 8.270 nan 0.000 0.581 604 H N 1.160 120.060 119.070 -0.284 0.000 2.562 604 H HA 0.301 4.857 4.556 0.000 0.000 0.352 604 H C -0.129 175.158 175.328 -0.068 0.000 1.125 604 H CA -0.301 55.507 56.048 -0.400 0.000 1.379 604 H CB 1.285 30.679 29.762 -0.613 0.000 1.464 604 H HN 0.168 nan 8.280 nan 0.000 0.563 605 M N 3.125 122.859 119.600 0.224 0.000 2.378 605 M HA 0.190 4.670 4.480 0.000 0.000 0.289 605 M C -1.563 174.918 176.300 0.302 0.000 1.136 605 M CA -0.906 54.502 55.300 0.179 0.000 0.917 605 M CB 1.683 34.280 32.600 -0.006 0.000 1.669 605 M HN 0.699 nan 8.290 nan 0.000 0.461 606 N N 2.957 121.802 118.700 0.241 0.000 2.401 606 N HA 0.110 4.850 4.740 0.000 0.000 0.255 606 N C -0.302 175.312 175.510 0.173 0.000 1.110 606 N CA 0.011 53.217 53.050 0.261 0.000 0.949 606 N CB 1.015 39.664 38.487 0.270 0.000 1.110 606 N HN 0.745 nan 8.380 nan 0.000 0.490 607 S N 2.348 118.139 115.700 0.152 0.000 2.402 607 S HA -0.153 4.317 4.470 0.000 0.000 0.233 607 S C 1.489 176.131 174.600 0.070 0.000 1.030 607 S CA 1.727 59.959 58.200 0.055 0.000 1.003 607 S CB -0.182 63.061 63.200 0.071 0.000 0.813 607 S HN 0.756 nan 8.310 nan 0.000 0.477 608 T N 1.677 116.383 114.554 0.253 0.000 2.708 608 T HA -0.068 4.282 4.350 0.000 0.000 0.266 608 T C 2.120 176.991 174.700 0.286 0.000 1.037 608 T CA 1.566 63.889 62.100 0.373 0.000 1.146 608 T CB -0.408 68.693 68.868 0.389 0.000 0.865 608 T HN 0.365 nan 8.240 nan 0.000 0.435 609 S N 0.317 116.154 115.700 0.228 0.000 2.383 609 S HA -0.054 4.416 4.470 0.000 0.000 0.227 609 S C 1.693 176.408 174.600 0.192 0.000 1.026 609 S CA 0.687 59.025 58.200 0.229 0.000 0.981 609 S CB -0.462 62.838 63.200 0.167 0.000 0.818 609 S HN 0.557 nan 8.310 nan 0.000 0.472 610 Y N 1.313 121.606 120.300 -0.012 0.000 2.114 610 Y HA -0.144 4.406 4.550 0.000 0.000 0.284 610 Y C 1.728 177.539 175.900 -0.147 0.000 1.143 610 Y CA 1.452 59.482 58.100 -0.117 0.000 1.135 610 Y CB -0.449 37.850 38.460 -0.268 0.000 0.980 610 Y HN 0.239 nan 8.280 nan 0.000 0.499 611 F N -2.175 117.841 119.950 0.110 0.000 2.293 611 F HA -0.139 4.388 4.527 0.000 0.000 0.297 611 F C 2.286 178.158 175.800 0.120 0.000 1.089 611 F CA 1.170 59.187 58.000 0.029 0.000 1.377 611 F CB -0.846 38.063 39.000 -0.150 0.000 1.051 611 F HN 0.089 nan 8.300 nan 0.000 0.511 612 Y N 1.041 121.461 120.300 0.200 0.000 2.165 612 Y HA -0.360 4.190 4.550 0.000 0.000 0.286 612 Y C 2.420 178.418 175.900 0.164 0.000 1.155 612 Y CA 1.720 59.929 58.100 0.183 0.000 1.164 612 Y CB -0.206 38.362 38.460 0.180 0.000 0.978 612 Y HN 0.084 nan 8.280 nan 0.000 0.513 613 N N -0.879 117.805 118.700 -0.027 0.000 2.132 613 N HA -0.181 4.559 4.740 0.000 0.000 0.187 613 N C 1.673 177.027 175.510 -0.259 0.000 1.038 613 N CA 1.985 54.873 53.050 -0.271 0.000 0.846 613 N CB -0.515 37.653 38.487 -0.532 0.000 1.012 613 N HN 0.318 nan 8.380 nan 0.000 0.429 614 H N -0.767 118.234 119.070 -0.115 0.000 2.470 614 H HA 0.110 4.666 4.556 0.000 0.000 0.289 614 H C 1.393 176.725 175.328 0.007 0.000 1.033 614 H CA 1.332 57.309 56.048 -0.118 0.000 1.331 614 H CB -0.265 29.290 29.762 -0.345 0.000 1.414 614 H HN 0.399 nan 8.280 nan 0.000 0.545 615 S N 0.033 115.839 115.700 0.175 0.000 2.634 615 S HA 0.055 4.525 4.470 0.000 0.000 0.221 615 S C 0.793 175.415 174.600 0.037 0.000 0.952 615 S CA 0.127 58.467 58.200 0.233 0.000 0.930 615 S CB 0.026 63.425 63.200 0.331 0.000 0.780 615 S HN 0.191 nan 8.310 nan 0.000 0.498 616 S N 1.073 116.679 115.700 -0.157 0.000 3.533 616 S HA -0.253 4.217 4.470 0.000 0.000 0.347 616 S C 0.922 175.195 174.600 -0.545 0.000 1.101 616 S CA 1.044 58.931 58.200 -0.521 0.000 1.009 616 S CB -1.988 60.505 63.200 -1.178 0.000 0.916 616 S HN 0.806 nan 8.310 nan 0.000 0.496 617 Q N -0.413 119.215 119.800 -0.285 0.000 2.437 617 Q HA -0.089 4.251 4.340 0.000 0.000 0.210 617 Q C 2.007 177.888 176.000 -0.199 0.000 0.972 617 Q CA 1.391 56.984 55.803 -0.350 0.000 0.903 617 Q CB -0.093 28.556 28.738 -0.148 0.000 0.967 617 Q HN 1.028 nan 8.270 nan 0.000 0.486 618 W N 0.236 121.223 121.300 -0.522 0.000 2.467 618 W HA -0.031 4.629 4.660 0.000 0.000 0.275 618 W C 0.784 177.291 176.519 -0.019 0.000 1.239 618 W CA 0.193 57.259 57.345 -0.466 0.000 1.266 618 W CB -0.507 28.397 29.460 -0.927 0.000 1.112 618 W HN -0.002 nan 8.180 nan 0.000 0.576 619 R N -0.242 119.642 120.500 -1.026 0.000 2.357 619 R HA -0.119 4.221 4.340 0.000 0.000 0.202 619 R C 0.467 176.511 176.300 -0.426 0.000 1.047 619 R CA 1.068 56.646 56.100 -0.869 0.000 1.034 619 R CB -0.401 29.250 30.300 -1.082 0.000 0.875 619 R HN 0.245 nan 8.270 nan 0.000 0.473 620 Y N -0.798 119.423 120.300 -0.132 0.000 2.588 620 Y HA 0.183 4.733 4.550 0.000 0.000 0.247 620 Y C 0.024 175.958 175.900 0.057 0.000 1.157 620 Y CA -0.941 57.160 58.100 0.001 0.000 1.215 620 Y CB 0.339 38.810 38.460 0.019 0.000 1.245 620 Y HN -0.133 nan 8.280 nan 0.000 0.534 621 E N 1.382 121.737 120.200 0.259 0.000 2.558 621 E HA -0.039 4.311 4.350 0.000 0.000 0.255 621 E C 1.237 177.893 176.600 0.093 0.000 0.968 621 E CA 0.859 57.392 56.400 0.222 0.000 0.939 621 E CB 0.718 30.594 29.700 0.293 0.000 0.921 621 E HN 0.380 nan 8.360 nan 0.000 0.477 622 T N 0.253 114.844 114.554 0.061 0.000 3.001 622 T HA 0.198 4.548 4.350 0.000 0.000 0.251 622 T C 0.477 175.160 174.700 -0.030 0.000 1.040 622 T CA -0.199 61.913 62.100 0.021 0.000 0.985 622 T CB 0.239 69.130 68.868 0.038 0.000 1.011 622 T HN 0.118 nan 8.240 nan 0.000 0.509 623 V N 3.452 123.333 119.914 -0.055 0.000 2.481 623 V HA 0.597 4.717 4.120 0.000 0.000 0.286 623 V C 0.597 176.629 176.094 -0.105 0.000 1.042 623 V CA -0.632 61.607 62.300 -0.102 0.000 0.928 623 V CB 1.320 33.041 31.823 -0.171 0.000 0.986 623 V HN 0.671 nan 8.190 nan 0.000 0.462 624 T N 1.182 115.683 114.554 -0.088 0.000 2.888 624 T HA 0.655 5.005 4.350 0.000 0.000 0.284 624 T C 0.952 175.618 174.700 -0.056 0.000 1.017 624 T CA -0.025 62.034 62.100 -0.068 0.000 1.022 624 T CB 1.967 70.816 68.868 -0.032 0.000 1.013 624 T HN 0.733 nan 8.240 nan 0.000 0.465 625 A N 1.025 123.814 122.820 -0.052 0.000 1.930 625 A HA -0.048 4.272 4.320 0.000 0.000 0.217 625 A C 2.207 179.804 177.584 0.022 0.000 1.175 625 A CA 1.367 53.362 52.037 -0.070 0.000 0.627 625 A CB -0.915 17.912 19.000 -0.288 0.000 0.815 625 A HN 0.963 nan 8.150 nan 0.000 0.443 626 E N 0.933 121.151 120.200 0.029 0.000 2.097 626 E HA -0.253 4.097 4.350 0.000 0.000 0.196 626 E C 1.811 178.410 176.600 -0.003 0.000 1.000 626 E CA 1.750 58.157 56.400 0.012 0.000 0.804 626 E CB -0.273 29.445 29.700 0.029 0.000 0.740 626 E HN 0.890 nan 8.360 nan 0.000 0.454 627 E N -0.163 120.037 120.200 0.000 0.000 2.516 627 E HA -0.088 4.262 4.350 0.000 0.000 0.199 627 E C 1.821 178.429 176.600 0.014 0.000 1.069 627 E CA 0.279 56.682 56.400 0.006 0.000 0.876 627 E CB -0.088 29.605 29.700 -0.012 0.000 0.843 627 E HN 0.307 nan 8.360 nan 0.000 0.530 628 L N 0.250 121.488 121.223 0.025 0.000 2.731 628 L HA 0.214 4.554 4.340 0.000 0.000 0.240 628 L C 0.430 177.342 176.870 0.070 0.000 1.120 628 L CA -0.577 54.294 54.840 0.051 0.000 0.913 628 L CB 0.359 42.491 42.059 0.121 0.000 1.213 628 L HN 0.132 nan 8.230 nan 0.000 0.515 629 L N 0.539 121.734 121.223 -0.046 0.000 2.483 629 L HA 0.061 4.401 4.340 0.000 0.000 0.276 629 L C 0.940 177.787 176.870 -0.038 0.000 1.213 629 L CA 0.610 55.292 54.840 -0.264 0.000 0.843 629 L CB 0.965 42.836 42.059 -0.315 0.000 1.107 629 L HN -0.038 nan 8.230 nan 0.000 0.487 630 S N 4.711 120.356 115.700 -0.092 0.000 2.572 630 S HA 0.245 4.715 4.470 0.000 0.000 0.279 630 S C -1.404 173.195 174.600 -0.001 0.000 1.341 630 S CA -0.897 57.343 58.200 0.066 0.000 1.043 630 S CB 0.581 63.787 63.200 0.010 0.000 0.887 630 S HN 0.603 nan 8.310 nan 0.000 0.516 631 P HA -0.039 nan 4.420 nan 0.000 0.226 631 P C 0.664 177.964 177.300 -0.001 0.000 1.153 631 P CA 1.090 64.175 63.100 -0.024 0.000 0.777 631 P CB 0.020 31.677 31.700 -0.071 0.000 0.794 632 M N -0.946 118.658 119.600 0.007 0.000 2.493 632 M HA 0.278 4.758 4.480 0.000 0.000 0.244 632 M C 0.631 176.936 176.300 0.008 0.000 1.182 632 M CA -0.288 55.037 55.300 0.042 0.000 0.981 632 M CB 0.344 32.992 32.600 0.081 0.000 1.551 632 M HN -0.164 nan 8.290 nan 0.000 0.476 633 A N 0.427 123.227 122.820 -0.032 0.000 2.312 633 A HA 0.357 4.677 4.320 0.000 0.000 0.328 633 A C -0.546 177.034 177.584 -0.006 0.000 1.158 633 A CA -0.606 51.399 52.037 -0.052 0.000 0.821 633 A CB 0.654 19.528 19.000 -0.210 0.000 1.170 633 A HN 0.219 nan 8.150 nan 0.000 0.490 634 D N 1.673 122.105 120.400 0.054 0.000 2.398 634 D HA 0.077 4.717 4.640 0.000 0.000 0.250 634 D C 1.062 177.423 176.300 0.101 0.000 1.287 634 D CA 0.241 54.277 54.000 0.060 0.000 0.992 634 D CB 0.190 41.021 40.800 0.051 0.000 1.071 634 D HN 0.496 nan 8.370 nan 0.000 0.514 635 K N 1.059 121.492 120.400 0.053 0.000 2.189 635 K HA -0.204 4.116 4.320 0.000 0.000 0.207 635 K C 1.784 178.429 176.600 0.075 0.000 1.046 635 K CA 1.579 57.902 56.287 0.060 0.000 0.928 635 K CB -0.130 32.383 32.500 0.022 0.000 0.720 635 K HN 0.433 nan 8.250 nan 0.000 0.458 636 S N 0.586 116.307 115.700 0.034 0.000 2.481 636 S HA -0.032 4.438 4.470 0.000 0.000 0.231 636 S C 1.676 176.246 174.600 -0.050 0.000 0.996 636 S CA 0.360 58.558 58.200 -0.003 0.000 0.942 636 S CB -0.049 63.139 63.200 -0.019 0.000 0.768 636 S HN 0.266 nan 8.310 nan 0.000 0.520 637 R N -0.309 120.152 120.500 -0.065 0.000 2.299 637 R HA 0.147 4.487 4.340 0.000 0.000 0.197 637 R C -0.306 175.643 176.300 -0.585 0.000 0.971 637 R CA 0.555 56.476 56.100 -0.298 0.000 1.030 637 R CB -0.053 30.038 30.300 -0.349 0.000 0.932 637 R HN 0.525 nan 8.270 nan 0.000 0.477 638 Y N 0.309 120.566 120.300 -0.072 0.000 2.480 638 Y HA 0.130 4.680 4.550 0.000 0.000 0.356 638 Y C 0.330 176.275 175.900 0.075 0.000 0.922 638 Y CA -0.873 57.219 58.100 -0.013 0.000 1.146 638 Y CB 0.623 39.087 38.460 0.007 0.000 1.185 638 Y HN -0.094 nan 8.280 nan 0.000 0.624 639 T N -1.877 112.692 114.554 0.025 0.000 2.847 639 T HA 0.856 5.206 4.350 0.000 0.000 0.279 639 T C 0.574 175.282 174.700 0.012 0.000 0.984 639 T CA 0.025 62.155 62.100 0.051 0.000 0.988 639 T CB 1.742 70.602 68.868 -0.013 0.000 1.040 639 T HN 0.893 nan 8.240 nan 0.000 0.528 640 G N 0.085 108.945 108.800 0.101 0.000 2.515 640 G HA2 0.082 4.042 3.960 0.000 0.000 0.686 640 G HA3 0.082 4.042 3.960 0.000 0.000 0.686 640 G C -0.798 174.307 174.900 0.341 0.000 1.274 640 G CA -0.698 44.479 45.100 0.128 0.000 0.874 640 G HN 1.204 nan 8.290 nan 0.000 0.631 641 H N 0.369 119.566 119.070 0.212 0.000 2.690 641 H HA 0.333 4.889 4.556 0.000 0.000 0.365 641 H C 1.917 177.481 175.328 0.395 0.000 1.142 641 H CA 0.395 56.597 56.048 0.256 0.000 1.417 641 H CB 0.974 30.856 29.762 0.200 0.000 1.446 641 H HN 0.414 nan 8.280 nan 0.000 0.599 642 L N 4.148 125.622 121.223 0.419 0.000 2.129 642 L HA -0.207 4.133 4.340 0.000 0.000 0.212 642 L C 2.684 179.912 176.870 0.597 0.000 1.087 642 L CA 1.212 56.290 54.840 0.397 0.000 0.757 642 L CB -0.254 41.921 42.059 0.195 0.000 0.896 642 L HN 0.652 nan 8.230 nan 0.000 0.434 643 I N -0.399 120.603 120.570 0.721 0.000 2.614 643 I HA -0.265 3.905 4.170 0.000 0.000 0.258 643 I C 1.762 177.970 176.117 0.151 0.000 1.189 643 I CA 1.079 62.563 61.300 0.306 0.000 1.462 643 I CB -0.083 37.791 38.000 -0.210 0.000 1.092 643 I HN 0.269 nan 8.210 nan 0.000 0.442 644 D N 0.679 121.208 120.400 0.215 0.000 2.144 644 D HA -0.177 4.463 4.640 0.000 0.000 0.200 644 D C 1.960 178.286 176.300 0.042 0.000 0.978 644 D CA 1.434 55.455 54.000 0.035 0.000 0.833 644 D CB -0.282 40.500 40.800 -0.030 0.000 0.961 644 D HN 0.339 nan 8.370 nan 0.000 0.470 645 F N 0.861 120.882 119.950 0.120 0.000 2.234 645 F HA -0.071 4.456 4.527 0.000 0.000 0.299 645 F C 2.194 178.134 175.800 0.234 0.000 1.087 645 F CA 0.686 58.820 58.000 0.224 0.000 1.340 645 F CB -0.773 38.370 39.000 0.238 0.000 1.031 645 F HN -0.063 nan 8.300 nan 0.000 0.500 646 N N 0.270 119.174 118.700 0.340 0.000 2.106 646 N HA -0.140 4.600 4.740 0.000 0.000 0.188 646 N C 1.798 177.339 175.510 0.052 0.000 1.029 646 N CA 1.113 54.286 53.050 0.205 0.000 0.848 646 N CB -0.130 38.464 38.487 0.178 0.000 1.007 646 N HN -0.012 nan 8.380 nan 0.000 0.423 647 V N 0.808 120.707 119.914 -0.026 0.000 2.343 647 V HA -0.200 3.920 4.120 0.000 0.000 0.247 647 V C 2.240 178.196 176.094 -0.230 0.000 1.051 647 V CA 1.653 63.868 62.300 -0.142 0.000 1.036 647 V CB -0.505 31.217 31.823 -0.169 0.000 0.654 647 V HN 0.321 nan 8.190 nan 0.000 0.451 648 R N 0.210 120.593 120.500 -0.194 0.000 2.075 648 R HA -0.065 4.275 4.340 0.000 0.000 0.232 648 R C 2.465 178.534 176.300 -0.385 0.000 1.126 648 R CA 1.409 57.327 56.100 -0.303 0.000 0.963 648 R CB -0.652 29.516 30.300 -0.221 0.000 0.858 648 R HN 0.520 nan 8.270 nan 0.000 0.435 649 A N 1.378 124.067 122.820 -0.219 0.000 1.940 649 A HA -0.225 4.095 4.320 0.000 0.000 0.219 649 A C 1.894 179.342 177.584 -0.226 0.000 1.176 649 A CA 1.546 53.437 52.037 -0.243 0.000 0.631 649 A CB -0.346 18.746 19.000 0.153 0.000 0.814 649 A HN 0.346 nan 8.150 nan 0.000 0.446 650 E N -0.434 119.643 120.200 -0.205 0.000 2.028 650 E HA -0.222 4.128 4.350 0.000 0.000 0.191 650 E C 2.229 178.579 176.600 -0.417 0.000 0.988 650 E CA 1.388 57.648 56.400 -0.234 0.000 0.799 650 E CB -0.267 29.299 29.700 -0.223 0.000 0.755 650 E HN 0.810 nan 8.360 nan 0.000 0.447 651 R N 0.586 120.689 120.500 -0.662 0.000 2.237 651 R HA -0.028 4.312 4.340 0.000 0.000 0.219 651 R C 1.675 177.897 176.300 -0.131 0.000 1.080 651 R CA 1.076 56.748 56.100 -0.713 0.000 0.995 651 R CB -0.217 29.628 30.300 -0.758 0.000 0.875 651 R HN 0.167 nan 8.270 nan 0.000 0.462 652 M N 0.598 120.007 119.600 -0.318 0.000 2.494 652 M HA 0.223 4.703 4.480 0.000 0.000 0.232 652 M C 0.571 176.794 176.300 -0.127 0.000 1.137 652 M CA 0.647 55.765 55.300 -0.304 0.000 1.012 652 M CB 1.073 33.127 32.600 -0.910 0.000 1.567 652 M HN 0.571 nan 8.290 nan 0.000 0.486 653 G N -0.278 108.508 108.800 -0.024 0.000 2.148 653 G HA2 -0.227 3.733 3.960 0.000 0.000 0.254 653 G HA3 -0.227 3.733 3.960 0.000 0.000 0.254 653 G C 0.204 175.273 174.900 0.282 0.000 0.981 653 G CA 0.179 45.347 45.100 0.114 0.000 0.670 653 G HN 0.503 nan 8.290 nan 0.000 0.528 654 W N -0.253 121.034 121.300 -0.020 0.000 2.444 654 W HA 0.499 5.159 4.660 0.000 0.000 0.308 654 W C 1.701 178.216 176.519 -0.007 0.000 1.183 654 W CA 0.538 57.877 57.345 -0.010 0.000 1.340 654 W CB -0.531 28.885 29.460 -0.073 0.000 1.138 654 W HN 0.221 nan 8.180 nan 0.000 0.510 655 L N 1.228 122.542 121.223 0.151 0.000 2.319 655 L HA 0.387 4.727 4.340 0.000 0.000 0.267 655 L C -1.874 174.880 176.870 -0.193 0.000 1.011 655 L CA -2.132 52.646 54.840 -0.104 0.000 0.818 655 L CB 1.916 43.971 42.059 -0.006 0.000 1.316 655 L HN -0.434 nan 8.230 nan 0.000 0.432 656 P HA 0.200 nan 4.420 nan 0.000 0.276 656 P C -1.104 176.179 177.300 -0.028 0.000 1.261 656 P CA -0.363 62.624 63.100 -0.188 0.000 0.800 656 P CB 1.429 32.977 31.700 -0.253 0.000 1.066 657 S N -0.710 115.026 115.700 0.059 0.000 2.568 657 S HA 0.787 5.257 4.470 0.000 0.000 0.293 657 S C -0.874 173.822 174.600 0.161 0.000 1.089 657 S CA -0.466 57.811 58.200 0.129 0.000 0.945 657 S CB 1.702 65.020 63.200 0.197 0.000 1.077 657 S HN 0.718 nan 8.310 nan 0.000 0.485 658 A N 2.817 125.780 122.820 0.238 0.000 2.508 658 A HA 0.626 4.946 4.320 0.000 0.000 0.297 658 A C -3.336 174.497 177.584 0.416 0.000 1.036 658 A CA -1.092 51.124 52.037 0.298 0.000 0.957 658 A CB 0.591 19.767 19.000 0.295 0.000 1.428 658 A HN 0.467 nan 8.150 nan 0.000 0.393 659 P HA 0.170 nan 4.420 nan 0.000 0.270 659 P C 0.750 178.143 177.300 0.154 0.000 1.223 659 P CA -0.019 63.172 63.100 0.152 0.000 0.785 659 P CB 0.670 32.426 31.700 0.093 0.000 0.923 660 Q N 0.343 120.212 119.800 0.114 0.000 1.984 660 Q HA 0.046 4.386 4.340 0.000 0.000 0.196 660 Q C 0.381 176.427 176.000 0.076 0.000 0.975 660 Q CA 1.006 56.879 55.803 0.116 0.000 0.827 660 Q CB -0.171 28.611 28.738 0.073 0.000 0.894 660 Q HN 0.393 nan 8.270 nan 0.000 0.438 661 L N -1.069 120.157 121.223 0.004 0.000 2.313 661 L HA 0.439 4.779 4.340 0.000 0.000 0.268 661 L C 1.094 177.963 176.870 -0.003 0.000 1.010 661 L CA -0.551 54.253 54.840 -0.060 0.000 0.814 661 L CB 1.094 43.078 42.059 -0.124 0.000 1.304 661 L HN 0.163 nan 8.230 nan 0.000 0.441 662 G N -0.772 108.021 108.800 -0.011 0.000 2.848 662 G HA2 -0.006 3.954 3.960 0.000 0.000 0.208 662 G HA3 -0.006 3.954 3.960 0.000 0.000 0.208 662 G C 0.427 175.334 174.900 0.012 0.000 1.152 662 G CA 0.362 45.473 45.100 0.019 0.000 0.789 662 G HN 0.472 nan 8.290 nan 0.000 0.531 663 T N 0.020 114.570 114.554 -0.007 0.000 2.876 663 T HA 0.332 4.682 4.350 0.000 0.000 0.289 663 T C -0.506 174.192 174.700 -0.002 0.000 1.014 663 T CA -0.861 61.235 62.100 -0.008 0.000 0.986 663 T CB 1.129 69.989 68.868 -0.014 0.000 1.021 663 T HN 0.020 nan 8.240 nan 0.000 0.458 664 N N 4.890 123.586 118.700 -0.007 0.000 2.386 664 N HA 0.022 4.762 4.740 0.000 0.000 0.273 664 N C -1.341 174.174 175.510 0.009 0.000 1.331 664 N CA -1.277 51.773 53.050 -0.000 0.000 0.891 664 N CB 1.280 39.749 38.487 -0.029 0.000 1.139 664 N HN 0.463 nan 8.380 nan 0.000 0.487 665 P HA -0.108 nan 4.420 nan 0.000 0.231 665 P C 1.133 178.452 177.300 0.032 0.000 1.158 665 P CA 0.844 63.956 63.100 0.020 0.000 0.763 665 P CB 0.359 32.072 31.700 0.020 0.000 0.805 666 L N -0.379 120.866 121.223 0.037 0.000 2.477 666 L HA 0.029 4.369 4.340 0.000 0.000 0.220 666 L C 2.412 179.300 176.870 0.030 0.000 1.106 666 L CA 1.492 56.361 54.840 0.049 0.000 0.851 666 L CB -0.829 41.269 42.059 0.066 0.000 0.994 666 L HN 0.090 nan 8.230 nan 0.000 0.462 667 T N -3.679 110.886 114.554 0.017 0.000 3.057 667 T HA 0.090 4.440 4.350 0.000 0.000 0.254 667 T C 1.755 176.467 174.700 0.021 0.000 1.094 667 T CA 0.064 62.169 62.100 0.008 0.000 1.088 667 T CB -0.125 68.740 68.868 -0.004 0.000 0.934 667 T HN 0.120 nan 8.240 nan 0.000 0.497 668 I N 1.934 122.532 120.570 0.046 0.000 2.248 668 I HA -0.177 3.993 4.170 0.000 0.000 0.248 668 I C 3.094 179.243 176.117 0.054 0.000 1.107 668 I CA 1.352 62.712 61.300 0.100 0.000 1.373 668 I CB -0.486 37.576 38.000 0.103 0.000 1.055 668 I HN 0.384 nan 8.210 nan 0.000 0.418 669 A N 0.790 123.618 122.820 0.013 0.000 1.898 669 A HA -0.075 4.245 4.320 0.000 0.000 0.216 669 A C 2.451 179.989 177.584 -0.077 0.000 1.181 669 A CA 1.670 53.692 52.037 -0.025 0.000 0.620 669 A CB -1.312 17.683 19.000 -0.008 0.000 0.819 669 A HN 0.443 nan 8.150 nan 0.000 0.442 670 G N -0.565 108.199 108.800 -0.060 0.000 2.448 670 G HA2 -0.175 3.785 3.960 0.000 0.000 0.219 670 G HA3 -0.175 3.785 3.960 0.000 0.000 0.219 670 G C 1.391 176.211 174.900 -0.134 0.000 1.127 670 G CA 0.964 46.018 45.100 -0.077 0.000 0.766 670 G HN 0.663 nan 8.290 nan 0.000 0.552 671 E N 0.179 120.274 120.200 -0.175 0.000 2.230 671 E HA 0.142 4.492 4.350 0.000 0.000 0.192 671 E C 2.809 178.991 176.600 -0.698 0.000 0.987 671 E CA 0.452 56.670 56.400 -0.302 0.000 0.841 671 E CB 0.009 29.622 29.700 -0.145 0.000 0.783 671 E HN 0.408 nan 8.360 nan 0.000 0.481 672 A N 1.437 123.810 122.820 -0.746 0.000 1.968 672 A HA -0.187 4.133 4.320 0.000 0.000 0.217 672 A C 2.024 179.384 177.584 -0.374 0.000 1.169 672 A CA 1.071 52.627 52.037 -0.801 0.000 0.638 672 A CB -0.263 18.528 19.000 -0.348 0.000 0.812 672 A HN 0.191 nan 8.150 nan 0.000 0.446 673 E N 0.248 120.300 120.200 -0.247 0.000 2.110 673 E HA -0.214 4.136 4.350 0.000 0.000 0.193 673 E C 1.801 178.317 176.600 -0.139 0.000 0.988 673 E CA 1.409 57.721 56.400 -0.147 0.000 0.804 673 E CB -0.074 29.563 29.700 -0.104 0.000 0.745 673 E HN 0.637 nan 8.360 nan 0.000 0.458 674 K N -0.159 120.140 120.400 -0.168 0.000 2.116 674 K HA 0.021 4.341 4.320 0.000 0.000 0.203 674 K C 1.991 178.517 176.600 -0.123 0.000 1.052 674 K CA 0.801 57.013 56.287 -0.125 0.000 0.952 674 K CB 0.036 32.468 32.500 -0.112 0.000 0.729 674 K HN 0.052 nan 8.250 nan 0.000 0.446 675 A N 0.753 123.455 122.820 -0.196 0.000 2.216 675 A HA 0.076 4.396 4.320 0.000 0.000 0.214 675 A C 1.412 178.952 177.584 -0.072 0.000 1.160 675 A CA 1.027 52.989 52.037 -0.124 0.000 0.725 675 A CB -0.663 18.236 19.000 -0.168 0.000 0.784 675 A HN 0.447 nan 8.150 nan 0.000 0.472 676 G N -1.160 107.587 108.800 -0.089 0.000 2.147 676 G HA2 -0.265 3.695 3.960 0.000 0.000 0.244 676 G HA3 -0.265 3.695 3.960 0.000 0.000 0.244 676 G C 0.078 174.956 174.900 -0.037 0.000 1.005 676 G CA 0.696 45.764 45.100 -0.052 0.000 0.713 676 G HN 1.260 nan 8.290 nan 0.000 0.515 677 M N -1.187 118.383 119.600 -0.050 0.000 2.593 677 M HA 0.634 5.114 4.480 0.000 0.000 0.290 677 M C -0.209 176.078 176.300 -0.021 0.000 1.244 677 M CA -1.038 54.255 55.300 -0.011 0.000 0.857 677 M CB 1.289 33.914 32.600 0.043 0.000 1.738 677 M HN 0.167 nan 8.290 nan 0.000 0.461 678 N N 1.066 119.768 118.700 0.002 0.000 2.453 678 N HA 0.298 5.038 4.740 0.000 0.000 0.253 678 N C -2.091 173.441 175.510 0.037 0.000 1.252 678 N CA -1.080 51.972 53.050 0.002 0.000 0.917 678 N CB -0.096 38.393 38.487 0.003 0.000 1.117 678 N HN 0.449 nan 8.380 nan 0.000 0.442 679 P HA -0.255 nan 4.420 nan 0.000 0.216 679 P C 1.189 178.542 177.300 0.088 0.000 1.157 679 P CA 1.229 64.374 63.100 0.075 0.000 0.880 679 P CB 0.060 31.780 31.700 0.035 0.000 0.791 680 V N 1.691 121.628 119.914 0.040 0.000 2.220 680 V HA -0.237 3.883 4.120 0.000 0.000 0.246 680 V C 2.463 178.562 176.094 0.007 0.000 1.049 680 V CA 2.539 64.847 62.300 0.014 0.000 1.003 680 V CB -1.466 30.358 31.823 0.001 0.000 0.634 680 V HN 0.067 nan 8.190 nan 0.000 0.444 681 D N -1.079 119.332 120.400 0.018 0.000 2.158 681 D HA -0.233 4.407 4.640 0.000 0.000 0.197 681 D C 1.957 178.274 176.300 0.028 0.000 0.995 681 D CA 1.837 55.842 54.000 0.008 0.000 0.846 681 D CB -0.326 40.485 40.800 0.019 0.000 0.941 681 D HN 0.630 nan 8.370 nan 0.000 0.456 682 Y N 1.615 121.885 120.300 -0.050 0.000 2.274 682 Y HA -0.176 4.374 4.550 0.000 0.000 0.290 682 Y C 2.244 178.107 175.900 -0.062 0.000 1.145 682 Y CA 1.435 59.505 58.100 -0.049 0.000 1.203 682 Y CB -0.278 38.158 38.460 -0.040 0.000 0.984 682 Y HN -0.147 nan 8.280 nan 0.000 0.533 683 T N -0.596 113.872 114.554 -0.143 0.000 2.812 683 T HA -0.112 4.238 4.350 0.000 0.000 0.264 683 T C 2.036 176.578 174.700 -0.263 0.000 1.042 683 T CA 1.492 63.445 62.100 -0.246 0.000 1.140 683 T CB -0.558 68.237 68.868 -0.121 0.000 0.870 683 T HN 0.182 nan 8.240 nan 0.000 0.445 684 V N 1.839 121.631 119.914 -0.202 0.000 2.407 684 V HA -0.150 3.970 4.120 0.000 0.000 0.248 684 V C 2.458 178.415 176.094 -0.228 0.000 1.055 684 V CA 1.600 63.761 62.300 -0.231 0.000 1.049 684 V CB -0.524 31.185 31.823 -0.190 0.000 0.662 684 V HN 0.454 nan 8.190 nan 0.000 0.455 685 K N 0.188 120.469 120.400 -0.200 0.000 2.057 685 K HA -0.148 4.172 4.320 0.000 0.000 0.206 685 K C 2.259 178.738 176.600 -0.201 0.000 1.050 685 K CA 1.782 57.968 56.287 -0.167 0.000 0.935 685 K CB -0.158 32.269 32.500 -0.122 0.000 0.715 685 K HN 0.444 nan 8.250 nan 0.000 0.439 686 S N 1.201 116.707 115.700 -0.323 0.000 2.406 686 S HA -0.029 4.441 4.470 0.000 0.000 0.228 686 S C 1.818 176.313 174.600 -0.176 0.000 1.020 686 S CA 0.826 58.844 58.200 -0.303 0.000 0.965 686 S CB -0.125 62.783 63.200 -0.488 0.000 0.798 686 S HN 0.253 nan 8.310 nan 0.000 0.488 687 L N 1.136 122.247 121.223 -0.187 0.000 2.093 687 L HA -0.070 4.270 4.340 0.000 0.000 0.208 687 L C 2.454 179.356 176.870 0.053 0.000 1.085 687 L CA 1.023 55.813 54.840 -0.084 0.000 0.755 687 L CB -0.309 41.633 42.059 -0.196 0.000 0.904 687 L HN 0.212 nan 8.230 nan 0.000 0.435 688 K N 0.038 120.406 120.400 -0.052 0.000 2.062 688 K HA -0.127 4.193 4.320 0.000 0.000 0.205 688 K C 1.879 178.530 176.600 0.085 0.000 1.051 688 K CA 1.149 57.475 56.287 0.064 0.000 0.941 688 K CB -0.085 32.395 32.500 -0.034 0.000 0.719 688 K HN 0.408 nan 8.250 nan 0.000 0.440 689 E N -0.345 119.861 120.200 0.009 0.000 2.152 689 E HA -0.080 4.270 4.350 0.000 0.000 0.192 689 E C 0.957 177.569 176.600 0.020 0.000 0.983 689 E CA 0.707 57.110 56.400 0.006 0.000 0.818 689 E CB 0.069 29.750 29.700 -0.031 0.000 0.758 689 E HN 0.530 nan 8.360 nan 0.000 0.467 690 G N 0.955 109.770 108.800 0.024 0.000 2.141 690 G HA2 -0.307 3.653 3.960 0.000 0.000 0.231 690 G HA3 -0.307 3.653 3.960 0.000 0.000 0.231 690 G C 1.058 175.956 174.900 -0.003 0.000 0.984 690 G CA 0.626 45.746 45.100 0.033 0.000 0.660 690 G HN 0.369 nan 8.290 nan 0.000 0.525 691 S N -0.941 114.737 115.700 -0.037 0.000 2.453 691 S HA 0.385 4.855 4.470 0.000 0.000 0.231 691 S C 0.925 175.490 174.600 -0.058 0.000 1.005 691 S CA 0.839 59.012 58.200 -0.045 0.000 0.949 691 S CB 0.447 63.609 63.200 -0.063 0.000 0.774 691 S HN 0.594 nan 8.310 nan 0.000 0.510 692 I N 1.695 122.212 120.570 -0.089 0.000 2.466 692 I HA 0.470 4.640 4.170 0.000 0.000 0.289 692 I C -0.334 175.729 176.117 -0.089 0.000 1.026 692 I CA -0.728 60.509 61.300 -0.104 0.000 1.078 692 I CB 2.112 40.008 38.000 -0.173 0.000 1.249 692 I HN 0.035 nan 8.210 nan 0.000 0.429 693 R N 4.366 124.827 120.500 -0.065 0.000 2.854 693 R HA 0.557 4.897 4.340 0.000 0.000 0.271 693 R C -1.246 175.021 176.300 -0.055 0.000 0.996 693 R CA -0.906 55.187 56.100 -0.012 0.000 0.961 693 R CB 1.884 32.212 30.300 0.046 0.000 1.182 693 R HN 0.259 nan 8.270 nan 0.000 0.479 694 F N 0.961 120.934 119.950 0.038 0.000 2.538 694 F HA 0.053 4.580 4.527 0.000 0.000 0.371 694 F C 1.583 177.392 175.800 0.014 0.000 1.087 694 F CA 0.391 58.410 58.000 0.032 0.000 1.250 694 F CB 0.987 40.006 39.000 0.032 0.000 1.110 694 F HN 0.747 nan 8.300 nan 0.000 0.570 695 A N 3.637 126.556 122.820 0.164 0.000 2.024 695 A HA -0.146 4.174 4.320 0.000 0.000 0.220 695 A C 2.294 179.934 177.584 0.095 0.000 1.164 695 A CA 1.686 53.793 52.037 0.116 0.000 0.643 695 A CB -1.056 18.015 19.000 0.117 0.000 0.806 695 A HN 0.874 nan 8.150 nan 0.000 0.451 696 A N -0.055 122.827 122.820 0.104 0.000 1.978 696 A HA -0.203 4.117 4.320 0.000 0.000 0.220 696 A C 1.839 179.378 177.584 -0.076 0.000 1.170 696 A CA 1.648 53.678 52.037 -0.011 0.000 0.636 696 A CB -0.494 18.491 19.000 -0.026 0.000 0.810 696 A HN 0.681 nan 8.150 nan 0.000 0.448 697 E N -0.667 119.524 120.200 -0.015 0.000 2.204 697 E HA -0.136 4.214 4.350 0.000 0.000 0.194 697 E C 0.320 176.883 176.600 -0.062 0.000 0.989 697 E CA 0.931 57.300 56.400 -0.053 0.000 0.824 697 E CB -0.028 29.673 29.700 0.001 0.000 0.756 697 E HN 0.742 nan 8.360 nan 0.000 0.477 698 Q N -0.086 119.699 119.800 -0.025 0.000 3.230 698 Q HA 0.114 4.454 4.340 0.000 0.000 0.303 698 Q C -2.158 173.852 176.000 0.016 0.000 0.884 698 Q CA -1.113 54.684 55.803 -0.011 0.000 0.859 698 Q CB 1.317 30.064 28.738 0.016 0.000 1.432 698 Q HN 0.073 nan 8.270 nan 0.000 0.403 699 P HA -0.156 nan 4.420 nan 0.000 0.231 699 P C -0.017 177.342 177.300 0.099 0.000 1.158 699 P CA 1.117 64.242 63.100 0.043 0.000 0.763 699 P CB 0.421 32.081 31.700 -0.068 0.000 0.805 700 E N -0.572 119.664 120.200 0.060 0.000 2.714 700 E HA 0.020 4.370 4.350 0.000 0.000 0.219 700 E C 1.069 177.701 176.600 0.054 0.000 0.979 700 E CA -0.144 56.283 56.400 0.045 0.000 1.092 700 E CB -0.088 29.601 29.700 -0.020 0.000 1.049 700 E HN 0.229 nan 8.360 nan 0.000 0.487 701 N N 0.534 119.281 118.700 0.079 0.000 2.512 701 N HA -0.067 4.673 4.740 0.000 0.000 0.183 701 N C 1.298 176.880 175.510 0.120 0.000 1.073 701 N CA 1.345 54.441 53.050 0.077 0.000 0.911 701 N CB 0.241 38.768 38.487 0.067 0.000 0.964 701 N HN 0.185 nan 8.380 nan 0.000 0.447 702 G N -0.609 108.308 108.800 0.195 0.000 2.184 702 G HA2 -0.228 3.732 3.960 0.000 0.000 0.206 702 G HA3 -0.228 3.732 3.960 0.000 0.000 0.206 702 G C 0.594 175.678 174.900 0.307 0.000 0.995 702 G CA 0.289 45.555 45.100 0.277 0.000 0.651 702 G HN 0.473 nan 8.290 nan 0.000 0.511 703 K N -0.516 120.021 120.400 0.228 0.000 2.517 703 K HA 0.217 4.537 4.320 0.000 0.000 0.210 703 K C 0.610 177.263 176.600 0.088 0.000 1.166 703 K CA -0.198 56.222 56.287 0.221 0.000 1.030 703 K CB 0.451 33.084 32.500 0.221 0.000 0.974 703 K HN 0.154 nan 8.250 nan 0.000 0.585 704 N N 1.649 120.406 118.700 0.094 0.000 2.275 704 N HA 0.014 4.754 4.740 0.000 0.000 0.236 704 N C -0.731 174.845 175.510 0.110 0.000 1.154 704 N CA 0.003 53.108 53.050 0.092 0.000 0.866 704 N CB 0.473 39.034 38.487 0.123 0.000 1.093 704 N HN 0.375 nan 8.380 nan 0.000 0.515 705 H N -0.445 118.620 119.070 -0.007 0.000 2.495 705 H HA 0.469 5.025 4.556 0.000 0.000 0.348 705 H C -2.960 172.237 175.328 -0.219 0.000 1.113 705 H CA -1.970 53.994 56.048 -0.141 0.000 1.195 705 H CB 1.842 31.579 29.762 -0.042 0.000 1.521 705 H HN -0.169 nan 8.280 nan 0.000 0.509 706 P HA 0.093 nan 4.420 nan 0.000 0.267 706 P C 0.031 177.302 177.300 -0.048 0.000 1.200 706 P CA -0.122 62.882 63.100 -0.160 0.000 0.772 706 P CB 1.650 33.301 31.700 -0.082 0.000 0.855 707 R N 1.021 121.493 120.500 -0.046 0.000 2.369 707 R HA 0.204 4.544 4.340 0.000 0.000 0.210 707 R C 0.408 176.759 176.300 0.084 0.000 0.881 707 R CA 0.136 56.249 56.100 0.022 0.000 1.031 707 R CB 0.415 30.669 30.300 -0.076 0.000 1.184 707 R HN 0.567 nan 8.270 nan 0.000 0.581 708 N N 0.853 119.586 118.700 0.055 0.000 2.399 708 N HA 0.306 5.046 4.740 0.000 0.000 0.284 708 N C -1.969 173.540 175.510 -0.001 0.000 1.025 708 N CA -0.472 52.573 53.050 -0.008 0.000 0.885 708 N CB 2.364 40.819 38.487 -0.053 0.000 1.339 708 N HN -0.154 nan 8.380 nan 0.000 0.487 709 L N 3.333 124.535 121.223 -0.035 0.000 2.381 709 L HA 0.598 4.938 4.340 0.000 0.000 0.274 709 L C -1.755 175.131 176.870 0.027 0.000 0.988 709 L CA -0.462 54.436 54.840 0.096 0.000 0.824 709 L CB 0.818 43.014 42.059 0.228 0.000 1.263 709 L HN 0.347 nan 8.230 nan 0.000 0.410 710 F N 5.746 125.906 119.950 0.349 0.000 2.420 710 F HA 0.613 5.141 4.527 0.000 0.000 0.342 710 F C 0.035 176.209 175.800 0.624 0.000 1.113 710 F CA -0.273 57.978 58.000 0.418 0.000 1.059 710 F CB 1.344 40.573 39.000 0.382 0.000 1.128 710 F HN 0.242 nan 8.300 nan 0.000 0.475 711 I N 3.543 124.586 120.570 0.788 0.000 2.478 711 I HA 0.384 4.554 4.170 0.000 0.000 0.287 711 I C -1.474 175.126 176.117 0.805 0.000 1.042 711 I CA -0.669 61.084 61.300 0.754 0.000 1.067 711 I CB 1.420 39.728 38.000 0.515 0.000 1.233 711 I HN 0.732 nan 8.210 nan 0.000 0.431 712 W N 5.154 126.691 121.300 0.395 0.000 3.372 712 W HA 0.674 5.334 4.660 -0.000 0.000 0.315 712 W C -0.290 176.422 176.519 0.322 0.000 1.223 712 W CA -1.108 56.436 57.345 0.332 0.000 1.202 712 W CB 0.880 30.556 29.460 0.360 0.000 1.367 712 W HN 0.519 nan 8.180 nan 0.000 0.531 713 R N 1.196 121.879 120.500 0.305 0.000 3.770 713 R HA -0.179 4.161 4.340 0.000 0.000 0.305 713 R C -0.387 176.029 176.300 0.193 0.000 1.184 713 R CA 1.322 57.549 56.100 0.212 0.000 0.823 713 R CB -2.009 28.345 30.300 0.089 0.000 1.285 713 R HN 0.665 nan 8.270 nan 0.000 0.499 714 S N -0.702 115.155 115.700 0.262 0.000 2.537 714 S HA 0.506 4.976 4.470 0.000 0.000 0.270 714 S C -0.986 173.787 174.600 0.289 0.000 1.142 714 S CA -0.873 57.539 58.200 0.353 0.000 0.870 714 S CB 1.832 65.383 63.200 0.585 0.000 1.112 714 S HN 0.230 nan 8.310 nan 0.000 0.466 715 N N 3.083 121.935 118.700 0.253 0.000 2.541 715 N HA 0.197 4.937 4.740 0.000 0.000 0.297 715 N C 1.021 176.639 175.510 0.181 0.000 1.503 715 N CA -0.389 52.773 53.050 0.186 0.000 0.919 715 N CB -0.060 38.507 38.487 0.133 0.000 1.305 715 N HN 0.568 nan 8.380 nan 0.000 0.501 716 L N 0.584 121.927 121.223 0.201 0.000 2.119 716 L HA -0.202 4.138 4.340 0.000 0.000 0.226 716 L C 0.834 177.770 176.870 0.109 0.000 1.093 716 L CA 1.947 56.849 54.840 0.105 0.000 0.806 716 L CB -0.318 41.739 42.059 -0.003 0.000 0.902 716 L HN 0.409 nan 8.230 nan 0.000 0.444 717 L N -1.027 120.283 121.223 0.145 0.000 2.862 717 L HA 0.314 4.654 4.340 0.000 0.000 0.240 717 L C 1.093 178.082 176.870 0.197 0.000 1.283 717 L CA 0.458 55.409 54.840 0.185 0.000 1.117 717 L CB -0.888 41.255 42.059 0.138 0.000 1.444 717 L HN 0.480 nan 8.230 nan 0.000 0.456 718 G N -2.109 106.764 108.800 0.122 0.000 4.260 718 G HA2 0.064 4.024 3.960 0.000 0.000 0.204 718 G HA3 0.064 4.024 3.960 0.000 0.000 0.204 718 G C 0.119 175.071 174.900 0.086 0.000 0.952 718 G CA 0.588 45.715 45.100 0.045 0.000 0.815 718 G HN 0.241 nan 8.290 nan 0.000 0.465 719 S N -0.143 115.631 115.700 0.124 0.000 4.569 719 S HA 0.215 4.685 4.470 0.000 0.000 0.161 719 S C 2.417 177.110 174.600 0.155 0.000 1.104 719 S CA 1.707 60.009 58.200 0.171 0.000 1.153 719 S CB -0.231 63.020 63.200 0.084 0.000 2.018 719 S HN 0.700 nan 8.310 nan 0.000 0.800 720 S N 1.404 117.123 115.700 0.032 0.000 2.420 720 S HA 0.074 4.544 4.470 0.000 0.000 0.237 720 S C 1.342 175.871 174.600 -0.118 0.000 1.023 720 S CA 1.337 59.461 58.200 -0.128 0.000 0.991 720 S CB -1.599 61.607 63.200 0.010 0.000 0.792 720 S HN 1.025 nan 8.310 nan 0.000 0.488 721 G N 2.291 111.124 108.800 0.055 0.000 2.577 721 G HA2 0.212 4.172 3.960 0.000 0.000 0.290 721 G HA3 0.212 4.172 3.960 0.000 0.000 0.290 721 G C -0.188 174.751 174.900 0.066 0.000 0.703 721 G CA -0.391 44.780 45.100 0.117 0.000 2.032 721 G HN 0.353 nan 8.290 nan 0.000 0.508 722 K N 1.088 121.475 120.400 -0.022 0.000 2.448 722 K HA 0.428 4.748 4.320 0.000 0.000 0.278 722 K C 1.153 177.863 176.600 0.183 0.000 1.009 722 K CA 0.999 57.275 56.287 -0.019 0.000 0.995 722 K CB 0.876 33.299 32.500 -0.128 0.000 0.917 722 K HN 0.808 nan 8.250 nan 0.000 0.481 723 G N 2.187 111.108 108.800 0.202 0.000 2.289 723 G HA2 -0.309 3.651 3.960 0.000 0.000 0.280 723 G HA3 -0.309 3.651 3.960 0.000 0.000 0.280 723 G C 0.594 175.709 174.900 0.359 0.000 1.089 723 G CA 0.690 46.037 45.100 0.410 0.000 0.939 723 G HN 0.911 nan 8.290 nan 0.000 0.499 724 H N 0.213 119.344 119.070 0.103 0.000 2.289 724 H HA -0.109 4.447 4.556 0.000 0.000 0.296 724 H C 2.412 177.717 175.328 -0.038 0.000 1.091 724 H CA 2.439 58.496 56.048 0.014 0.000 1.274 724 H CB 0.306 30.049 29.762 -0.031 0.000 1.364 724 H HN 0.442 nan 8.280 nan 0.000 0.490 725 E N -0.144 119.974 120.200 -0.137 0.000 2.153 725 E HA -0.154 4.196 4.350 0.000 0.000 0.194 725 E C 2.177 178.516 176.600 -0.434 0.000 0.988 725 E CA 0.873 57.073 56.400 -0.333 0.000 0.811 725 E CB -0.446 29.034 29.700 -0.366 0.000 0.746 725 E HN 0.564 nan 8.360 nan 0.000 0.466 726 F N 0.333 120.203 119.950 -0.133 0.000 2.259 726 F HA -0.017 4.510 4.527 0.000 0.000 0.298 726 F C 2.446 178.253 175.800 0.013 0.000 1.088 726 F CA 0.765 58.729 58.000 -0.060 0.000 1.358 726 F CB -0.408 38.600 39.000 0.013 0.000 1.040 726 F HN -0.038 nan 8.300 nan 0.000 0.505 727 M N -0.929 118.743 119.600 0.120 0.000 2.156 727 M HA -0.140 4.340 4.480 0.000 0.000 0.264 727 M C 2.084 178.355 176.300 -0.049 0.000 1.067 727 M CA 1.337 56.679 55.300 0.071 0.000 1.131 727 M CB -0.702 31.905 32.600 0.013 0.000 1.368 727 M HN 0.160 nan 8.290 nan 0.000 0.416 728 L N 0.652 121.746 121.223 -0.214 0.000 2.083 728 L HA -0.165 4.175 4.340 0.000 0.000 0.209 728 L C 2.503 179.295 176.870 -0.129 0.000 1.083 728 L CA 1.783 56.499 54.840 -0.206 0.000 0.752 728 L CB -0.849 41.028 42.059 -0.303 0.000 0.899 728 L HN 0.273 nan 8.230 nan 0.000 0.433 729 K N -1.485 118.782 120.400 -0.223 0.000 2.044 729 K HA -0.128 4.192 4.320 0.000 0.000 0.204 729 K C 2.191 178.548 176.600 -0.405 0.000 1.045 729 K CA 1.292 57.349 56.287 -0.385 0.000 0.951 729 K CB -0.178 31.783 32.500 -0.899 0.000 0.738 729 K HN 0.217 nan 8.250 nan 0.000 0.443 730 Y N 0.518 120.791 120.300 -0.046 0.000 2.397 730 Y HA 0.037 4.587 4.550 0.000 0.000 0.292 730 Y C 1.987 177.885 175.900 -0.004 0.000 1.115 730 Y CA 0.424 58.512 58.100 -0.020 0.000 1.208 730 Y CB 0.233 38.701 38.460 0.013 0.000 1.046 730 Y HN -0.025 nan 8.280 nan 0.000 0.552 731 L N -1.527 119.788 121.223 0.155 0.000 2.253 731 L HA -0.048 4.292 4.340 0.000 0.000 0.205 731 L C 1.460 178.377 176.870 0.079 0.000 1.078 731 L CA 0.457 55.376 54.840 0.132 0.000 0.805 731 L CB -0.149 42.021 42.059 0.185 0.000 0.963 731 L HN 0.194 nan 8.230 nan 0.000 0.459 732 L N -0.654 120.597 121.223 0.046 0.000 2.253 732 L HA 0.259 4.599 4.340 0.000 0.000 0.205 732 L C 1.495 178.357 176.870 -0.014 0.000 1.078 732 L CA 1.168 56.032 54.840 0.039 0.000 0.805 732 L CB -0.652 41.448 42.059 0.069 0.000 0.963 732 L HN 0.316 nan 8.230 nan 0.000 0.459 733 G N -0.141 108.632 108.800 -0.045 0.000 2.149 733 G HA2 -0.264 3.696 3.960 0.000 0.000 0.235 733 G HA3 -0.264 3.696 3.960 0.000 0.000 0.235 733 G C 0.439 175.306 174.900 -0.055 0.000 1.018 733 G CA 0.517 45.572 45.100 -0.075 0.000 0.728 733 G HN 0.501 nan 8.290 nan 0.000 0.508 734 T N -2.866 111.677 114.554 -0.018 0.000 2.922 734 T HA 0.705 5.055 4.350 0.000 0.000 0.281 734 T C 0.258 174.962 174.700 0.006 0.000 1.005 734 T CA -0.355 61.750 62.100 0.009 0.000 0.982 734 T CB 2.071 70.995 68.868 0.093 0.000 1.158 734 T HN 0.265 nan 8.240 nan 0.000 0.566 735 E N 0.903 121.096 120.200 -0.012 0.000 2.436 735 E HA 0.253 4.603 4.350 0.000 0.000 0.262 735 E C -0.238 176.328 176.600 -0.057 0.000 1.063 735 E CA 0.386 56.737 56.400 -0.081 0.000 0.944 735 E CB 0.172 29.820 29.700 -0.087 0.000 0.950 735 E HN 0.855 nan 8.360 nan 0.000 0.444 736 H N -1.873 117.123 119.070 -0.124 0.000 2.960 736 H HA 0.542 5.098 4.556 0.000 0.000 0.338 736 H C 0.073 175.306 175.328 -0.157 0.000 1.261 736 H CA -0.802 55.145 56.048 -0.169 0.000 1.136 736 H CB 1.216 30.825 29.762 -0.256 0.000 1.875 736 H HN 0.451 nan 8.280 nan 0.000 0.550 737 G N 0.398 109.178 108.800 -0.033 0.000 3.774 737 G HA2 0.244 4.204 3.960 0.000 0.000 0.287 737 G HA3 0.244 4.204 3.960 0.000 0.000 0.287 737 G C -0.109 174.771 174.900 -0.032 0.000 1.030 737 G CA -0.381 44.672 45.100 -0.077 0.000 0.824 737 G HN 0.558 nan 8.290 nan 0.000 0.518 738 I N 0.963 121.590 120.570 0.094 0.000 2.752 738 I HA -0.061 4.109 4.170 0.000 0.000 0.289 738 I C 1.214 177.325 176.117 -0.009 0.000 1.197 738 I CA 0.229 61.433 61.300 -0.159 0.000 1.432 738 I CB 1.217 38.969 38.000 -0.413 0.000 1.359 738 I HN 0.122 nan 8.210 nan 0.000 0.571 739 Q N 4.632 124.429 119.800 -0.006 0.000 2.392 739 Q HA 0.200 4.540 4.340 0.000 0.000 0.219 739 Q C 0.802 176.866 176.000 0.108 0.000 0.895 739 Q CA 0.172 56.004 55.803 0.049 0.000 0.929 739 Q CB 0.720 29.493 28.738 0.058 0.000 1.077 739 Q HN 0.842 nan 8.270 nan 0.000 0.532 740 G N 0.765 109.660 108.800 0.160 0.000 2.522 740 G HA2 0.427 4.387 3.960 0.000 0.000 0.304 740 G HA3 0.427 4.387 3.960 0.000 0.000 0.304 740 G C -0.454 174.639 174.900 0.322 0.000 1.210 740 G CA -0.429 44.808 45.100 0.229 0.000 0.960 740 G HN -0.082 nan 8.290 nan 0.000 0.497 741 K N -0.155 120.396 120.400 0.251 0.000 2.095 741 K HA 0.327 4.647 4.320 0.000 0.000 0.252 741 K C -0.480 176.163 176.600 0.072 0.000 0.977 741 K CA -0.557 55.839 56.287 0.181 0.000 0.900 741 K CB 1.281 33.836 32.500 0.091 0.000 1.060 741 K HN 0.719 nan 8.250 nan 0.000 0.449 742 D N 0.345 120.634 120.400 -0.184 0.000 2.423 742 D HA 0.031 4.671 4.640 0.000 0.000 0.255 742 D C 0.997 177.156 176.300 -0.234 0.000 1.174 742 D CA -0.615 53.064 54.000 -0.536 0.000 1.008 742 D CB 0.424 40.756 40.800 -0.780 0.000 1.101 742 D HN 0.112 nan 8.370 nan 0.000 0.516 743 L N 0.457 121.525 121.223 -0.258 0.000 2.051 743 L HA -0.037 4.303 4.340 0.000 0.000 0.214 743 L C 2.521 179.172 176.870 -0.365 0.000 1.076 743 L CA 2.466 57.134 54.840 -0.287 0.000 0.758 743 L CB -1.383 40.445 42.059 -0.384 0.000 0.890 743 L HN 0.812 nan 8.230 nan 0.000 0.433 744 G N -1.848 106.727 108.800 -0.374 0.000 2.418 744 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 744 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 744 G C 1.515 176.377 174.900 -0.064 0.000 1.158 744 G CA 0.554 45.528 45.100 -0.210 0.000 0.771 744 G HN 0.477 nan 8.290 nan 0.000 0.545 745 Q N -0.369 119.421 119.800 -0.016 0.000 2.167 745 Q HA -0.034 4.306 4.340 0.000 0.000 0.202 745 Q C 2.476 178.464 176.000 -0.020 0.000 0.970 745 Q CA 0.956 56.760 55.803 0.002 0.000 0.855 745 Q CB -0.014 28.740 28.738 0.025 0.000 0.911 745 Q HN 0.551 nan 8.270 nan 0.000 0.438 746 Q N -0.798 118.973 119.800 -0.048 0.000 2.392 746 Q HA 0.098 4.438 4.340 0.000 0.000 0.203 746 Q C 0.544 176.505 176.000 -0.064 0.000 0.917 746 Q CA 0.334 56.113 55.803 -0.041 0.000 0.939 746 Q CB 0.768 29.485 28.738 -0.034 0.000 1.063 746 Q HN 0.492 nan 8.270 nan 0.000 0.516 747 G N 1.124 109.863 108.800 -0.101 0.000 2.221 747 G HA2 -0.252 3.708 3.960 0.000 0.000 0.265 747 G HA3 -0.252 3.708 3.960 0.000 0.000 0.265 747 G C 0.325 175.144 174.900 -0.134 0.000 1.041 747 G CA -0.042 44.987 45.100 -0.118 0.000 0.807 747 G HN 0.478 nan 8.290 nan 0.000 0.502 748 G N -1.399 107.301 108.800 -0.168 0.000 2.588 748 G HA2 0.687 4.647 3.960 0.000 0.000 0.281 748 G HA3 0.687 4.647 3.960 0.000 0.000 0.281 748 G C 0.658 175.455 174.900 -0.170 0.000 1.236 748 G CA 0.105 45.121 45.100 -0.139 0.000 0.969 748 G HN 1.632 nan 8.290 nan 0.000 0.504 749 V N -1.420 118.432 119.914 -0.103 0.000 2.508 749 V HA 0.399 4.519 4.120 0.000 0.000 0.281 749 V C 0.185 176.237 176.094 -0.070 0.000 1.041 749 V CA -1.027 61.224 62.300 -0.081 0.000 1.016 749 V CB 0.184 31.991 31.823 -0.026 0.000 0.984 749 V HN 0.594 nan 8.190 nan 0.000 0.478 750 K N 6.037 126.370 120.400 -0.111 0.000 2.202 750 K HA 0.409 4.729 4.320 0.000 0.000 0.264 750 K C -2.198 174.461 176.600 0.098 0.000 1.010 750 K CA -1.409 54.847 56.287 -0.052 0.000 0.940 750 K CB 0.334 32.764 32.500 -0.117 0.000 0.983 750 K HN 0.658 nan 8.250 nan 0.000 0.475 751 P HA -0.078 nan 4.420 nan 0.000 0.268 751 P C -0.417 176.910 177.300 0.045 0.000 1.208 751 P CA 0.197 63.370 63.100 0.123 0.000 0.777 751 P CB 0.525 32.203 31.700 -0.036 0.000 0.875 752 E N 0.585 120.790 120.200 0.008 0.000 2.463 752 E HA 0.042 4.392 4.350 0.000 0.000 0.193 752 E C 0.345 176.900 176.600 -0.074 0.000 1.041 752 E CA -0.000 56.381 56.400 -0.031 0.000 0.879 752 E CB 0.068 29.740 29.700 -0.046 0.000 0.997 752 E HN 0.356 nan 8.360 nan 0.000 0.478 753 E N 0.522 120.663 120.200 -0.098 0.000 2.606 753 E HA 0.175 4.525 4.350 0.000 0.000 0.224 753 E C -0.330 176.180 176.600 -0.150 0.000 0.930 753 E CA 0.078 56.398 56.400 -0.134 0.000 1.125 753 E CB 1.962 31.562 29.700 -0.166 0.000 1.123 753 E HN 0.021 nan 8.360 nan 0.000 0.522 754 V N 2.267 122.081 119.914 -0.167 0.000 2.588 754 V HA 0.223 4.343 4.120 0.000 0.000 0.304 754 V C -0.352 175.695 176.094 -0.078 0.000 1.042 754 V CA -1.104 61.065 62.300 -0.217 0.000 0.877 754 V CB 2.267 33.775 31.823 -0.525 0.000 0.996 754 V HN -0.082 nan 8.190 nan 0.000 0.425 755 D N 2.947 123.326 120.400 -0.036 0.000 2.449 755 D HA 0.028 4.668 4.640 0.000 0.000 0.236 755 D C -0.415 175.977 176.300 0.154 0.000 1.149 755 D CA 0.361 54.392 54.000 0.053 0.000 0.878 755 D CB 0.873 41.683 40.800 0.018 0.000 1.198 755 D HN 0.592 nan 8.370 nan 0.000 0.446 756 W N 2.194 123.535 121.300 0.069 0.000 2.689 756 W HA 0.354 5.014 4.660 -0.000 0.000 0.340 756 W C -1.195 175.364 176.519 0.066 0.000 1.060 756 W CA -0.779 56.634 57.345 0.112 0.000 1.218 756 W CB 1.357 30.873 29.460 0.093 0.000 1.410 756 W HN 0.378 nan 8.180 nan 0.000 0.528 757 Q N 2.713 121.696 119.800 -1.362 0.000 2.281 757 Q HA 0.176 4.516 4.340 0.000 0.000 0.263 757 Q C -0.548 174.899 176.000 -0.922 0.000 0.989 757 Q CA -0.604 54.758 55.803 -0.734 0.000 0.852 757 Q CB 2.184 30.702 28.738 -0.366 0.000 1.337 757 Q HN 0.309 nan 8.270 nan 0.000 0.418 758 D N 2.275 122.580 120.400 -0.157 0.000 2.116 758 D HA -0.145 4.495 4.640 0.000 0.000 0.193 758 D C -0.323 175.951 176.300 -0.044 0.000 0.998 758 D CA 1.523 55.606 54.000 0.138 0.000 0.836 758 D CB 0.052 40.982 40.800 0.218 0.000 0.951 758 D HN 0.632 nan 8.370 nan 0.000 0.449 759 N N 0.685 119.337 118.700 -0.082 0.000 2.558 759 N HA 0.377 5.117 4.740 0.000 0.000 0.233 759 N C 0.272 175.720 175.510 -0.104 0.000 1.038 759 N CA -0.479 52.539 53.050 -0.055 0.000 0.934 759 N CB 1.518 39.992 38.487 -0.021 0.000 1.175 759 N HN -0.028 nan 8.380 nan 0.000 0.512 760 G N 1.314 110.060 108.800 -0.090 0.000 2.554 760 G HA2 0.108 4.068 3.960 0.000 0.000 0.238 760 G HA3 0.108 4.068 3.960 0.000 0.000 0.238 760 G C 0.024 174.944 174.900 0.035 0.000 1.259 760 G CA -0.444 44.612 45.100 -0.074 0.000 0.843 760 G HN 0.417 nan 8.290 nan 0.000 0.582 761 L N 1.037 122.257 121.223 -0.005 0.000 2.410 761 L HA 0.305 4.645 4.340 0.000 0.000 0.273 761 L C 0.525 177.442 176.870 0.078 0.000 1.144 761 L CA 0.123 54.956 54.840 -0.012 0.000 0.863 761 L CB 0.134 42.142 42.059 -0.085 0.000 1.140 761 L HN 0.638 nan 8.230 nan 0.000 0.463 762 E N 3.100 123.304 120.200 0.007 0.000 2.259 762 E HA 0.506 4.856 4.350 0.000 0.000 0.257 762 E C 0.342 176.900 176.600 -0.069 0.000 0.998 762 E CA -0.556 55.832 56.400 -0.020 0.000 0.866 762 E CB 0.855 30.499 29.700 -0.093 0.000 1.220 762 E HN 0.838 nan 8.360 nan 0.000 0.415 763 G N 1.541 110.302 108.800 -0.066 0.000 2.421 763 G HA2 -0.358 3.602 3.960 0.000 0.000 0.300 763 G HA3 -0.358 3.602 3.960 0.000 0.000 0.300 763 G C 0.546 175.400 174.900 -0.077 0.000 0.974 763 G CA 1.077 46.133 45.100 -0.072 0.000 1.062 763 G HN 0.468 nan 8.290 nan 0.000 0.514 764 K N -1.100 119.251 120.400 -0.080 0.000 2.209 764 K HA 0.058 4.378 4.320 0.000 0.000 0.204 764 K C 1.339 178.005 176.600 0.110 0.000 1.048 764 K CA 0.514 56.717 56.287 -0.141 0.000 0.940 764 K CB 0.086 32.482 32.500 -0.173 0.000 0.729 764 K HN 0.492 nan 8.250 nan 0.000 0.451 765 L N 2.113 123.393 121.223 0.096 0.000 2.313 765 L HA 0.031 4.371 4.340 0.000 0.000 0.282 765 L C 0.591 177.546 176.870 0.140 0.000 1.092 765 L CA -0.405 54.516 54.840 0.135 0.000 0.831 765 L CB 0.889 43.032 42.059 0.140 0.000 1.159 765 L HN 0.042 nan 8.230 nan 0.000 0.442 766 D N 2.356 122.877 120.400 0.203 0.000 2.194 766 D HA 0.084 4.724 4.640 0.000 0.000 0.204 766 D C 0.106 176.707 176.300 0.501 0.000 0.964 766 D CA 1.089 55.289 54.000 0.332 0.000 0.846 766 D CB 0.688 41.735 40.800 0.412 0.000 0.962 766 D HN 0.118 nan 8.370 nan 0.000 0.490 767 L N 0.909 122.310 121.223 0.297 0.000 2.614 767 L HA 0.256 4.596 4.340 0.000 0.000 0.264 767 L C -1.760 175.144 176.870 0.055 0.000 0.940 767 L CA -0.436 54.517 54.840 0.189 0.000 0.903 767 L CB 2.018 44.059 42.059 -0.030 0.000 1.306 767 L HN -0.385 nan 8.230 nan 0.000 0.410 768 V N 5.494 125.468 119.914 0.099 0.000 2.357 768 V HA 0.500 4.620 4.120 0.000 0.000 0.284 768 V C -0.051 176.077 176.094 0.056 0.000 1.018 768 V CA -0.597 61.758 62.300 0.091 0.000 0.841 768 V CB 1.957 33.886 31.823 0.176 0.000 0.991 768 V HN 0.479 nan 8.190 nan 0.000 0.437 769 V N 4.202 124.115 119.914 -0.002 0.000 2.409 769 V HA 0.533 4.653 4.120 0.000 0.000 0.291 769 V C 0.153 176.371 176.094 0.206 0.000 1.020 769 V CA -0.189 62.138 62.300 0.044 0.000 0.848 769 V CB 2.053 33.847 31.823 -0.048 0.000 0.990 769 V HN 0.923 nan 8.190 nan 0.000 0.430 770 T N 6.303 120.967 114.554 0.184 0.000 2.824 770 T HA 0.673 5.023 4.350 0.000 0.000 0.282 770 T C -0.746 174.062 174.700 0.179 0.000 0.993 770 T CA -0.421 61.819 62.100 0.233 0.000 0.967 770 T CB 1.367 70.353 68.868 0.198 0.000 0.960 770 T HN 0.211 nan 8.240 nan 0.000 0.441 771 L N 3.786 125.163 121.223 0.257 0.000 2.296 771 L HA 0.752 5.092 4.340 0.000 0.000 0.286 771 L C 0.092 177.074 176.870 0.187 0.000 1.023 771 L CA -0.105 54.858 54.840 0.206 0.000 0.812 771 L CB 1.170 43.373 42.059 0.239 0.000 1.223 771 L HN 0.608 nan 8.230 nan 0.000 0.421 772 D N 0.609 121.062 120.400 0.088 0.000 2.694 772 D HA 0.238 4.878 4.640 0.000 0.000 0.260 772 D C -0.198 176.062 176.300 -0.067 0.000 1.250 772 D CA -0.413 53.554 54.000 -0.055 0.000 0.763 772 D CB 1.177 41.877 40.800 -0.167 0.000 1.311 772 D HN 0.202 nan 8.370 nan 0.000 0.420 773 F N 0.015 119.918 119.950 -0.078 0.000 2.731 773 F HA 0.396 4.923 4.527 0.000 0.000 0.298 773 F C 0.895 176.587 175.800 -0.181 0.000 1.106 773 F CA -0.455 57.459 58.000 -0.144 0.000 1.329 773 F CB 0.179 39.044 39.000 -0.225 0.000 1.100 773 F HN 0.136 nan 8.300 nan 0.000 0.592 774 R N 0.953 121.183 120.500 -0.450 0.000 2.750 774 R HA 0.525 4.865 4.340 0.000 0.000 0.281 774 R C -1.378 174.807 176.300 -0.193 0.000 0.972 774 R CA -0.946 55.020 56.100 -0.225 0.000 0.912 774 R CB 1.743 31.908 30.300 -0.225 0.000 1.187 774 R HN 0.319 nan 8.270 nan 0.000 0.464 775 L N 3.860 125.029 121.223 -0.091 0.000 2.448 775 L HA 0.107 4.447 4.340 0.000 0.000 0.278 775 L C 0.136 177.000 176.870 -0.010 0.000 1.201 775 L CA -0.092 54.704 54.840 -0.073 0.000 1.036 775 L CB 0.295 42.317 42.059 -0.062 0.000 1.325 775 L HN 0.948 nan 8.230 nan 0.000 0.441 776 S N 1.355 117.042 115.700 -0.021 0.000 2.640 776 S HA 0.189 4.659 4.470 0.000 0.000 0.262 776 S C 1.247 175.918 174.600 0.119 0.000 1.232 776 S CA -0.266 57.957 58.200 0.038 0.000 0.988 776 S CB 1.433 64.640 63.200 0.011 0.000 1.034 776 S HN 0.555 nan 8.310 nan 0.000 0.569 777 S N 0.554 116.347 115.700 0.155 0.000 2.383 777 S HA -0.070 4.400 4.470 0.000 0.000 0.227 777 S C 1.995 176.788 174.600 0.322 0.000 1.026 777 S CA 1.576 59.923 58.200 0.245 0.000 0.981 777 S CB -0.962 62.357 63.200 0.198 0.000 0.818 777 S HN 0.830 nan 8.310 nan 0.000 0.472 778 T N 1.552 116.249 114.554 0.239 0.000 2.674 778 T HA -0.144 4.206 4.350 0.000 0.000 0.265 778 T C 2.067 176.932 174.700 0.275 0.000 1.039 778 T CA 1.456 63.711 62.100 0.259 0.000 1.150 778 T CB -0.704 68.292 68.868 0.214 0.000 0.864 778 T HN 0.446 nan 8.240 nan 0.000 0.427 779 C N 1.018 120.430 119.300 0.186 0.000 2.398 779 C HA -0.049 4.411 4.460 0.000 0.000 0.276 779 C C 2.629 177.758 174.990 0.233 0.000 1.222 779 C CA 0.305 59.398 59.018 0.125 0.000 1.746 779 C CB -1.439 26.292 27.740 -0.016 0.000 2.039 779 C HN 0.449 nan 8.230 nan 0.000 0.470 780 L N -0.608 120.775 121.223 0.266 0.000 2.189 780 L HA -0.154 4.186 4.340 0.000 0.000 0.214 780 L C 1.479 178.441 176.870 0.153 0.000 1.097 780 L CA 1.898 56.915 54.840 0.294 0.000 0.764 780 L CB -0.605 41.575 42.059 0.201 0.000 0.900 780 L HN 0.457 nan 8.230 nan 0.000 0.436 781 Y N -1.725 118.722 120.300 0.244 0.000 2.555 781 Y HA 0.309 4.859 4.550 0.000 0.000 0.259 781 Y C 1.226 177.248 175.900 0.203 0.000 1.179 781 Y CA -0.461 57.749 58.100 0.184 0.000 1.230 781 Y CB 0.049 38.596 38.460 0.145 0.000 1.146 781 Y HN -0.009 nan 8.280 nan 0.000 0.526 782 S N -0.311 115.614 115.700 0.375 0.000 2.738 782 S HA 0.133 4.603 4.470 0.000 0.000 0.284 782 S C 0.473 175.274 174.600 0.335 0.000 1.146 782 S CA -0.640 57.751 58.200 0.319 0.000 0.997 782 S CB 1.012 64.369 63.200 0.260 0.000 1.081 782 S HN 0.251 nan 8.310 nan 0.000 0.553 783 D N -0.072 120.483 120.400 0.259 0.000 2.323 783 D HA 0.258 4.898 4.640 0.000 0.000 0.218 783 D C 0.086 176.500 176.300 0.190 0.000 0.973 783 D CA 0.889 55.021 54.000 0.220 0.000 0.890 783 D CB 0.417 41.323 40.800 0.176 0.000 1.011 783 D HN 0.305 nan 8.370 nan 0.000 0.499 784 I N 1.481 122.120 120.570 0.115 0.000 2.499 784 I HA 0.305 4.475 4.170 0.000 0.000 0.288 784 I C -0.775 175.335 176.117 -0.013 0.000 1.048 784 I CA -0.600 60.712 61.300 0.020 0.000 1.062 784 I CB 2.790 40.748 38.000 -0.069 0.000 1.238 784 I HN -0.327 nan 8.210 nan 0.000 0.426 785 I N 6.803 127.301 120.570 -0.121 0.000 2.362 785 I HA 0.389 4.559 4.170 0.000 0.000 0.289 785 I C -0.604 175.405 176.117 -0.181 0.000 0.994 785 I CA -0.556 60.641 61.300 -0.172 0.000 1.158 785 I CB 1.471 39.250 38.000 -0.368 0.000 1.315 785 I HN 0.285 nan 8.210 nan 0.000 0.451 786 L N 8.474 129.639 121.223 -0.097 0.000 2.280 786 L HA 0.424 4.764 4.340 0.000 0.000 0.287 786 L C -2.225 174.648 176.870 0.005 0.000 1.023 786 L CA -1.915 52.864 54.840 -0.103 0.000 0.819 786 L CB 1.358 43.455 42.059 0.063 0.000 1.212 786 L HN 0.297 nan 8.230 nan 0.000 0.420 787 P HA 0.020 nan 4.420 nan 0.000 0.269 787 P C -0.268 177.182 177.300 0.251 0.000 1.252 787 P CA 0.186 63.331 63.100 0.075 0.000 0.780 787 P CB 1.059 32.769 31.700 0.016 0.000 0.829 788 T N 2.340 117.024 114.554 0.216 0.000 2.952 788 T HA 0.584 4.934 4.350 0.000 0.000 0.286 788 T C -0.152 174.693 174.700 0.242 0.000 1.024 788 T CA -0.523 61.728 62.100 0.250 0.000 1.029 788 T CB 0.728 69.757 68.868 0.268 0.000 1.094 788 T HN 0.366 nan 8.240 nan 0.000 0.515 789 A N 2.374 125.323 122.820 0.214 0.000 2.425 789 A HA 0.540 4.860 4.320 0.000 0.000 0.249 789 A C 0.958 178.595 177.584 0.089 0.000 1.084 789 A CA -0.268 51.860 52.037 0.152 0.000 0.781 789 A CB -0.240 18.853 19.000 0.154 0.000 1.019 789 A HN 0.971 nan 8.150 nan 0.000 0.490 790 T N -0.649 113.837 114.554 -0.114 0.000 2.766 790 T HA 0.129 4.479 4.350 0.000 0.000 0.295 790 T C 0.709 175.345 174.700 -0.107 0.000 1.024 790 T CA -0.232 61.578 62.100 -0.483 0.000 1.018 790 T CB 0.265 68.736 68.868 -0.661 0.000 1.002 790 T HN 0.631 nan 8.240 nan 0.000 0.532 791 W N -0.402 120.839 121.300 -0.099 0.000 2.721 791 W HA 0.070 4.730 4.660 0.000 0.000 0.245 791 W C 1.300 177.971 176.519 0.254 0.000 1.276 791 W CA -0.116 57.225 57.345 -0.008 0.000 1.342 791 W CB -1.414 27.916 29.460 -0.217 0.000 1.135 791 W HN 0.820 nan 8.180 nan 0.000 0.654 792 Y N 0.027 120.490 120.300 0.272 0.000 2.524 792 Y HA 0.118 4.668 4.550 0.000 0.000 0.266 792 Y C 0.773 176.743 175.900 0.118 0.000 1.180 792 Y CA 0.110 58.327 58.100 0.196 0.000 1.244 792 Y CB 0.141 38.702 38.460 0.167 0.000 1.125 792 Y HN -0.002 nan 8.280 nan 0.000 0.524 793 E N 1.130 121.482 120.200 0.254 0.000 2.876 793 E HA 0.114 4.464 4.350 0.000 0.000 0.208 793 E C -0.505 176.197 176.600 0.170 0.000 0.981 793 E CA -0.179 56.322 56.400 0.169 0.000 1.174 793 E CB 0.647 30.412 29.700 0.109 0.000 1.047 793 E HN 0.298 nan 8.360 nan 0.000 0.477 794 K N -0.220 120.304 120.400 0.207 0.000 2.579 794 K HA 0.370 4.690 4.320 0.000 0.000 0.284 794 K C -1.683 175.040 176.600 0.204 0.000 0.990 794 K CA -0.935 55.467 56.287 0.192 0.000 0.880 794 K CB 1.620 34.246 32.500 0.211 0.000 1.488 794 K HN -0.273 nan 8.250 nan 0.000 0.425 795 D N 0.816 121.310 120.400 0.156 0.000 2.175 795 D HA 0.491 5.131 4.640 0.000 0.000 0.248 795 D C -0.805 175.565 176.300 0.116 0.000 1.047 795 D CA 0.465 54.570 54.000 0.174 0.000 0.883 795 D CB 1.543 42.363 40.800 0.033 0.000 1.180 795 D HN 0.574 nan 8.370 nan 0.000 0.438 796 D N 0.019 120.546 120.400 0.213 0.000 2.827 796 D HA 0.296 4.936 4.640 0.000 0.000 0.336 796 D C -1.399 175.037 176.300 0.227 0.000 1.374 796 D CA -0.378 53.712 54.000 0.151 0.000 0.794 796 D CB 1.132 42.021 40.800 0.147 0.000 1.364 796 D HN 0.210 nan 8.370 nan 0.000 0.464 797 M N 0.839 120.511 119.600 0.120 0.000 2.658 797 M HA 0.472 4.952 4.480 0.000 0.000 0.295 797 M C -0.741 175.512 176.300 -0.080 0.000 1.248 797 M CA -0.870 54.459 55.300 0.048 0.000 0.843 797 M CB 2.397 35.045 32.600 0.080 0.000 1.749 797 M HN 0.291 nan 8.290 nan 0.000 0.464 798 N N 0.873 119.445 118.700 -0.213 0.000 2.324 798 N HA 0.562 5.302 4.740 0.000 0.000 0.285 798 N C -1.953 173.368 175.510 -0.316 0.000 1.076 798 N CA -0.059 52.822 53.050 -0.282 0.000 0.864 798 N CB 2.327 40.622 38.487 -0.321 0.000 1.632 798 N HN 0.828 nan 8.380 nan 0.000 0.478 799 T N -0.948 113.470 114.554 -0.226 0.000 2.865 799 T HA 0.773 5.123 4.350 0.000 0.000 0.294 799 T C -0.754 173.793 174.700 -0.256 0.000 1.119 799 T CA -0.652 61.331 62.100 -0.195 0.000 1.007 799 T CB 1.728 70.479 68.868 -0.194 0.000 1.225 799 T HN 0.396 nan 8.240 nan 0.000 0.515 800 S N -1.018 114.459 115.700 -0.371 0.000 2.638 800 S HA 0.440 4.910 4.470 0.000 0.000 0.274 800 S C -0.406 173.915 174.600 -0.464 0.000 1.157 800 S CA -0.494 57.467 58.200 -0.399 0.000 0.826 800 S CB 1.526 64.469 63.200 -0.428 0.000 1.139 800 S HN 0.768 nan 8.310 nan 0.000 0.474 801 D N 1.504 121.697 120.400 -0.345 0.000 2.224 801 D HA -0.033 4.607 4.640 0.000 0.000 0.205 801 D C 1.820 177.930 176.300 -0.318 0.000 0.965 801 D CA 1.135 54.951 54.000 -0.307 0.000 0.852 801 D CB -0.011 40.742 40.800 -0.078 0.000 0.947 801 D HN 0.351 nan 8.370 nan 0.000 0.494 802 M N 0.481 119.866 119.600 -0.359 0.000 2.159 802 M HA 0.025 4.505 4.480 0.000 0.000 0.263 802 M C 0.438 176.515 176.300 -0.372 0.000 1.063 802 M CA 1.460 56.530 55.300 -0.384 0.000 1.110 802 M CB -1.299 31.103 32.600 -0.330 0.000 1.374 802 M HN 0.238 nan 8.290 nan 0.000 0.411 803 H N -2.906 115.947 119.070 -0.361 0.000 2.985 803 H HA 0.475 5.031 4.556 0.000 0.000 0.360 803 H C -2.690 172.271 175.328 -0.611 0.000 1.221 803 H CA -1.940 53.787 56.048 -0.535 0.000 1.121 803 H CB 0.187 29.557 29.762 -0.653 0.000 1.854 803 H HN -0.257 nan 8.280 nan 0.000 0.551 804 P HA 0.120 nan 4.420 nan 0.000 0.257 804 P C -0.800 176.281 177.300 -0.365 0.000 1.325 804 P CA 0.011 62.792 63.100 -0.532 0.000 0.850 804 P CB -0.168 31.229 31.700 -0.505 0.000 1.324 805 F N 0.720 120.769 119.950 0.165 0.000 2.384 805 F HA 0.398 4.925 4.527 0.000 0.000 0.338 805 F C 1.092 177.026 175.800 0.223 0.000 1.103 805 F CA -1.214 56.863 58.000 0.129 0.000 1.157 805 F CB 1.235 40.241 39.000 0.010 0.000 1.167 805 F HN -0.237 nan 8.300 nan 0.000 0.529 806 I N 3.691 124.455 120.570 0.322 0.000 2.389 806 I HA 0.382 4.552 4.170 0.000 0.000 0.288 806 I C -0.885 175.343 176.117 0.184 0.000 0.999 806 I CA -0.316 61.086 61.300 0.170 0.000 1.129 806 I CB 0.623 38.663 38.000 0.066 0.000 1.288 806 I HN 0.827 nan 8.210 nan 0.000 0.444 807 H N 6.897 125.999 119.070 0.053 0.000 2.908 807 H HA 0.772 5.328 4.556 0.000 0.000 0.350 807 H C -3.023 172.294 175.328 -0.018 0.000 1.217 807 H CA -2.222 53.812 56.048 -0.023 0.000 1.168 807 H CB 1.452 31.191 29.762 -0.040 0.000 1.891 807 H HN 0.183 nan 8.280 nan 0.000 0.566 808 P HA 0.331 nan 4.420 nan 0.000 0.290 808 P C -1.263 176.089 177.300 0.086 0.000 1.302 808 P CA -0.806 62.289 63.100 -0.007 0.000 0.893 808 P CB 2.440 34.009 31.700 -0.218 0.000 1.272 809 L N 0.402 121.723 121.223 0.163 0.000 2.322 809 L HA 0.501 4.841 4.340 0.000 0.000 0.281 809 L C 0.257 177.275 176.870 0.247 0.000 1.014 809 L CA 0.254 55.219 54.840 0.208 0.000 0.815 809 L CB 1.608 43.794 42.059 0.213 0.000 1.247 809 L HN 0.374 nan 8.230 nan 0.000 0.421 810 S N 1.072 116.906 115.700 0.223 0.000 2.599 810 S HA 0.817 5.287 4.470 0.000 0.000 0.287 810 S C -0.693 174.020 174.600 0.189 0.000 1.105 810 S CA -0.763 57.560 58.200 0.205 0.000 0.899 810 S CB 1.920 65.197 63.200 0.129 0.000 1.100 810 S HN 0.659 nan 8.310 nan 0.000 0.482 811 A N 0.992 123.909 122.820 0.162 0.000 2.347 811 A HA 0.644 4.964 4.320 0.000 0.000 0.287 811 A C 1.126 178.768 177.584 0.096 0.000 1.199 811 A CA -0.134 51.988 52.037 0.141 0.000 0.851 811 A CB -0.120 18.951 19.000 0.119 0.000 1.118 811 A HN 1.032 nan 8.150 nan 0.000 0.525 812 A N 3.041 125.915 122.820 0.091 0.000 1.929 812 A HA 0.380 4.700 4.320 0.000 0.000 0.216 812 A C 0.829 178.433 177.584 0.034 0.000 1.176 812 A CA 1.728 53.783 52.037 0.030 0.000 0.628 812 A CB -0.148 18.853 19.000 0.002 0.000 0.816 812 A HN 1.074 nan 8.150 nan 0.000 0.444 813 V N -0.975 118.975 119.914 0.060 0.000 3.206 813 V HA 0.291 4.411 4.120 0.000 0.000 0.305 813 V C -1.525 174.604 176.094 0.057 0.000 1.257 813 V CA -1.331 60.997 62.300 0.047 0.000 1.057 813 V CB 1.726 33.577 31.823 0.048 0.000 1.075 813 V HN 0.179 nan 8.190 nan 0.000 0.443 814 D N 1.765 122.190 120.400 0.042 0.000 2.399 814 D HA 0.288 4.928 4.640 0.000 0.000 0.241 814 D C -2.458 173.872 176.300 0.051 0.000 1.133 814 D CA -0.944 53.084 54.000 0.047 0.000 0.890 814 D CB 0.571 41.390 40.800 0.032 0.000 1.201 814 D HN 0.299 nan 8.370 nan 0.000 0.432 815 P HA 0.029 nan 4.420 nan 0.000 0.261 815 P C -0.729 176.613 177.300 0.069 0.000 1.173 815 P CA 0.247 63.396 63.100 0.082 0.000 0.760 815 P CB 0.398 32.162 31.700 0.107 0.000 0.783 816 A N 4.318 127.179 122.820 0.068 0.000 2.366 816 A HA 0.317 4.637 4.320 0.000 0.000 0.249 816 A C 0.435 178.114 177.584 0.159 0.000 1.084 816 A CA -0.319 51.718 52.037 -0.001 0.000 0.794 816 A CB -0.402 18.593 19.000 -0.009 0.000 1.034 816 A HN 0.595 nan 8.150 nan 0.000 0.491 817 W N -0.887 120.445 121.300 0.053 0.000 1.806 817 W HA -0.254 4.406 4.660 0.000 0.000 0.271 817 W C 0.961 177.549 176.519 0.114 0.000 1.063 817 W CA 1.550 58.920 57.345 0.043 0.000 1.018 817 W CB -1.202 28.176 29.460 -0.136 0.000 0.880 817 W HN 0.862 nan 8.180 nan 0.000 0.554 818 E N 1.334 121.786 120.200 0.420 0.000 2.394 818 E HA 0.417 4.767 4.350 0.000 0.000 0.191 818 E C 0.564 177.458 176.600 0.491 0.000 1.044 818 E CA 0.131 56.798 56.400 0.446 0.000 0.939 818 E CB 0.076 30.085 29.700 0.514 0.000 1.089 818 E HN 0.313 nan 8.360 nan 0.000 0.456 819 A N 1.726 124.753 122.820 0.346 0.000 2.406 819 A HA 0.280 4.600 4.320 0.000 0.000 0.243 819 A C 0.131 177.869 177.584 0.257 0.000 1.082 819 A CA 0.258 52.490 52.037 0.325 0.000 0.786 819 A CB 0.478 19.612 19.000 0.224 0.000 1.029 819 A HN 0.066 nan 8.150 nan 0.000 0.495 820 K N 0.284 120.812 120.400 0.214 0.000 2.508 820 K HA 0.432 4.752 4.320 0.000 0.000 0.260 820 K C -0.366 176.285 176.600 0.085 0.000 0.949 820 K CA -0.510 55.801 56.287 0.040 0.000 0.834 820 K CB 2.132 34.476 32.500 -0.260 0.000 1.365 820 K HN 0.865 nan 8.250 nan 0.000 0.437 821 S N 0.284 116.042 115.700 0.097 0.000 2.584 821 S HA 0.025 4.495 4.470 0.000 0.000 0.270 821 S C 0.543 175.240 174.600 0.161 0.000 1.346 821 S CA -0.247 58.058 58.200 0.176 0.000 1.018 821 S CB 0.583 63.914 63.200 0.219 0.000 0.899 821 S HN 0.544 nan 8.310 nan 0.000 0.542 822 D N 0.600 121.150 120.400 0.250 0.000 2.149 822 D HA -0.142 4.498 4.640 0.000 0.000 0.198 822 D C 1.496 177.928 176.300 0.220 0.000 0.990 822 D CA 1.190 55.323 54.000 0.222 0.000 0.839 822 D CB -0.253 40.801 40.800 0.424 0.000 0.948 822 D HN 0.821 nan 8.370 nan 0.000 0.460 823 W N 1.905 123.300 121.300 0.159 0.000 2.338 823 W HA -0.172 4.488 4.660 0.000 0.000 0.304 823 W C 1.525 178.098 176.519 0.089 0.000 1.212 823 W CA 0.981 58.434 57.345 0.180 0.000 1.264 823 W CB 0.188 29.743 29.460 0.159 0.000 1.142 823 W HN -0.063 nan 8.180 nan 0.000 0.512 824 E N 0.382 120.617 120.200 0.058 0.000 2.216 824 E HA -0.105 4.245 4.350 0.000 0.000 0.192 824 E C 2.124 178.515 176.600 -0.348 0.000 0.988 824 E CA 0.959 57.279 56.400 -0.134 0.000 0.834 824 E CB -0.410 29.255 29.700 -0.057 0.000 0.772 824 E HN 0.459 nan 8.360 nan 0.000 0.479 825 I N 0.066 120.410 120.570 -0.377 0.000 2.202 825 I HA -0.270 3.900 4.170 0.000 0.000 0.242 825 I C 2.078 177.801 176.117 -0.656 0.000 1.091 825 I CA 1.113 62.082 61.300 -0.550 0.000 1.368 825 I CB -0.298 37.411 38.000 -0.485 0.000 1.058 825 I HN 0.033 nan 8.210 nan 0.000 0.410 826 Y N 0.915 120.887 120.300 -0.546 0.000 2.314 826 Y HA -0.146 4.404 4.550 0.000 0.000 0.293 826 Y C 2.549 177.836 175.900 -1.021 0.000 1.129 826 Y CA 1.042 58.657 58.100 -0.808 0.000 1.201 826 Y CB -0.433 37.575 38.460 -0.754 0.000 0.999 826 Y HN 0.028 nan 8.280 nan 0.000 0.541 827 K N 0.097 120.002 120.400 -0.824 0.000 2.026 827 K HA -0.188 4.132 4.320 0.000 0.000 0.208 827 K C 2.277 178.611 176.600 -0.442 0.000 1.048 827 K CA 1.201 56.996 56.287 -0.821 0.000 0.929 827 K CB -0.262 31.950 32.500 -0.479 0.000 0.713 827 K HN 0.286 nan 8.250 nan 0.000 0.439 828 A N 1.156 123.739 122.820 -0.396 0.000 1.933 828 A HA -0.126 4.194 4.320 0.000 0.000 0.218 828 A C 2.063 179.471 177.584 -0.294 0.000 1.175 828 A CA 1.215 53.066 52.037 -0.310 0.000 0.628 828 A CB -0.429 18.367 19.000 -0.339 0.000 0.814 828 A HN 0.283 nan 8.150 nan 0.000 0.444 829 I N -0.437 119.892 120.570 -0.402 0.000 2.252 829 I HA -0.231 3.939 4.170 0.000 0.000 0.245 829 I C 2.939 178.852 176.117 -0.340 0.000 1.102 829 I CA 0.942 62.014 61.300 -0.380 0.000 1.385 829 I CB -0.276 37.382 38.000 -0.570 0.000 1.064 829 I HN 0.350 nan 8.210 nan 0.000 0.414 830 A N 0.608 123.126 122.820 -0.502 0.000 1.972 830 A HA -0.263 4.057 4.320 0.000 0.000 0.219 830 A C 2.351 180.000 177.584 0.108 0.000 1.169 830 A CA 1.861 53.822 52.037 -0.128 0.000 0.635 830 A CB -0.478 18.346 19.000 -0.292 0.000 0.810 830 A HN 0.351 nan 8.150 nan 0.000 0.446 831 K N -0.405 119.962 120.400 -0.054 0.000 2.025 831 K HA -0.186 4.134 4.320 0.000 0.000 0.207 831 K C 2.112 178.641 176.600 -0.119 0.000 1.049 831 K CA 1.763 57.905 56.287 -0.241 0.000 0.933 831 K CB -0.126 32.051 32.500 -0.539 0.000 0.714 831 K HN 0.228 nan 8.250 nan 0.000 0.438 832 K N 0.250 120.610 120.400 -0.067 0.000 2.148 832 K HA -0.118 4.202 4.320 0.000 0.000 0.204 832 K C 1.750 178.390 176.600 0.066 0.000 1.050 832 K CA 1.134 57.414 56.287 -0.012 0.000 0.942 832 K CB -0.439 32.061 32.500 0.001 0.000 0.724 832 K HN 0.200 nan 8.250 nan 0.000 0.446 833 F N 0.582 120.536 119.950 0.007 0.000 2.102 833 F HA -0.151 4.376 4.527 0.000 0.000 0.298 833 F C 1.913 177.766 175.800 0.089 0.000 1.105 833 F CA 1.688 59.741 58.000 0.089 0.000 1.239 833 F CB -0.473 38.661 39.000 0.224 0.000 0.991 833 F HN -0.022 nan 8.300 nan 0.000 0.474 834 S N 0.034 115.855 115.700 0.202 0.000 2.400 834 S HA -0.255 4.215 4.470 0.000 0.000 0.232 834 S C 1.813 176.397 174.600 -0.026 0.000 1.025 834 S CA 1.569 59.833 58.200 0.106 0.000 0.993 834 S CB -0.559 62.742 63.200 0.168 0.000 0.808 834 S HN 0.770 nan 8.310 nan 0.000 0.478 835 E N 0.581 120.755 120.200 -0.044 0.000 2.127 835 E HA 0.026 4.376 4.350 0.000 0.000 0.191 835 E C 1.798 178.364 176.600 -0.056 0.000 0.964 835 E CA 0.618 56.992 56.400 -0.045 0.000 0.832 835 E CB -0.455 29.222 29.700 -0.039 0.000 0.790 835 E HN 0.232 nan 8.360 nan 0.000 0.465 836 V N 2.331 122.198 119.914 -0.078 0.000 2.469 836 V HA -0.294 3.826 4.120 0.000 0.000 0.251 836 V C 2.817 178.856 176.094 -0.092 0.000 1.064 836 V CA 1.702 63.965 62.300 -0.063 0.000 1.066 836 V CB -0.767 31.021 31.823 -0.057 0.000 0.667 836 V HN 0.770 nan 8.190 nan 0.000 0.461 837 C N -0.805 118.332 119.300 -0.271 0.000 2.456 837 C HA 0.143 4.603 4.460 0.000 0.000 0.279 837 C C 1.301 176.267 174.990 -0.040 0.000 1.427 837 C CA -0.792 58.066 59.018 -0.267 0.000 1.778 837 C CB -1.542 25.812 27.740 -0.643 0.000 1.842 837 C HN 0.227 nan 8.230 nan 0.000 0.531 838 V N 2.903 122.800 119.914 -0.029 0.000 2.475 838 V HA 0.432 4.552 4.120 0.000 0.000 0.292 838 V C 1.585 177.653 176.094 -0.044 0.000 1.003 838 V CA 2.093 64.382 62.300 -0.017 0.000 1.120 838 V CB -0.366 31.447 31.823 -0.016 0.000 0.937 838 V HN 0.996 nan 8.190 nan 0.000 0.476 839 G N 3.586 112.328 108.800 -0.096 0.000 2.259 839 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 839 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 839 G C 0.679 175.364 174.900 -0.359 0.000 1.001 839 G CA 0.291 45.251 45.100 -0.233 0.000 0.627 839 G HN 0.710 nan 8.290 nan 0.000 0.501 840 H N -0.354 118.685 119.070 -0.051 0.000 2.545 840 H HA 0.453 5.009 4.556 0.000 0.000 0.283 840 H C 0.854 176.134 175.328 -0.081 0.000 0.997 840 H CA 0.876 56.887 56.048 -0.062 0.000 1.269 840 H CB 0.853 30.572 29.762 -0.072 0.000 1.451 840 H HN 0.303 nan 8.280 nan 0.000 0.508 841 L N 0.144 121.381 121.223 0.022 0.000 2.431 841 L HA 0.534 4.874 4.340 0.000 0.000 0.266 841 L C 0.370 177.302 176.870 0.104 0.000 0.978 841 L CA -0.612 54.231 54.840 0.006 0.000 0.822 841 L CB 2.815 44.735 42.059 -0.232 0.000 1.310 841 L HN 0.169 nan 8.230 nan 0.000 0.409 842 G N 1.241 110.136 108.800 0.159 0.000 3.392 842 G HA2 0.349 4.309 3.960 0.000 0.000 0.185 842 G HA3 0.349 4.309 3.960 0.000 0.000 0.185 842 G C -0.784 174.214 174.900 0.164 0.000 1.206 842 G CA -0.492 44.688 45.100 0.134 0.000 0.776 842 G HN 0.401 nan 8.290 nan 0.000 0.697 843 K N 2.253 122.705 120.400 0.087 0.000 2.183 843 K HA 0.258 4.578 4.320 0.000 0.000 0.272 843 K C -0.552 176.087 176.600 0.064 0.000 1.113 843 K CA -0.002 56.315 56.287 0.051 0.000 0.949 843 K CB 0.754 33.270 32.500 0.026 0.000 1.365 843 K HN 0.274 nan 8.250 nan 0.000 0.420 844 E N 1.282 121.541 120.200 0.099 0.000 2.280 844 E HA 0.238 4.588 4.350 0.000 0.000 0.264 844 E C -0.172 176.459 176.600 0.052 0.000 1.064 844 E CA -0.351 56.118 56.400 0.116 0.000 0.900 844 E CB 1.367 31.229 29.700 0.270 0.000 1.123 844 E HN 0.227 nan 8.360 nan 0.000 0.418 845 T N 1.339 115.923 114.554 0.050 0.000 2.786 845 T HA 0.256 4.606 4.350 0.000 0.000 0.283 845 T C -0.739 173.983 174.700 0.036 0.000 0.992 845 T CA -0.709 61.406 62.100 0.025 0.000 0.954 845 T CB 1.171 70.047 68.868 0.013 0.000 0.934 845 T HN 0.189 nan 8.240 nan 0.000 0.440 846 D N 2.541 122.956 120.400 0.024 0.000 2.256 846 D HA 0.372 5.012 4.640 0.000 0.000 0.246 846 D C -0.661 175.647 176.300 0.013 0.000 1.042 846 D CA -0.706 53.312 54.000 0.030 0.000 0.841 846 D CB 1.099 41.916 40.800 0.029 0.000 1.223 846 D HN 0.222 nan 8.370 nan 0.000 0.470 847 I N 3.796 124.375 120.570 0.015 0.000 2.312 847 I HA 0.253 4.423 4.170 0.000 0.000 0.290 847 I C -0.088 176.029 176.117 0.000 0.000 1.008 847 I CA -0.689 60.614 61.300 0.006 0.000 1.226 847 I CB 1.084 39.088 38.000 0.007 0.000 1.371 847 I HN 0.100 nan 8.210 nan 0.000 0.468 848 V N 5.451 125.364 119.914 -0.002 0.000 2.555 848 V HA 0.452 4.572 4.120 0.000 0.000 0.302 848 V C 0.418 176.521 176.094 0.016 0.000 1.038 848 V CA -0.716 61.584 62.300 -0.000 0.000 0.887 848 V CB 2.177 33.991 31.823 -0.015 0.000 0.991 848 V HN 0.846 nan 8.190 nan 0.000 0.434 849 T N 2.760 117.334 114.554 0.034 0.000 2.882 849 T HA 0.744 5.094 4.350 0.000 0.000 0.287 849 T C -0.839 173.914 174.700 0.088 0.000 0.992 849 T CA -0.546 61.599 62.100 0.076 0.000 1.076 849 T CB 1.473 70.413 68.868 0.120 0.000 0.961 849 T HN 0.472 nan 8.240 nan 0.000 0.490 850 L N 4.623 125.925 121.223 0.132 0.000 2.441 850 L HA 0.533 4.873 4.340 0.000 0.000 0.270 850 L C -2.616 174.390 176.870 0.227 0.000 0.973 850 L CA -2.054 52.876 54.840 0.150 0.000 0.842 850 L CB 2.065 44.188 42.059 0.108 0.000 1.239 850 L HN 0.498 nan 8.230 nan 0.000 0.406 851 P HA 0.091 nan 4.420 nan 0.000 0.271 851 P C -0.071 177.386 177.300 0.262 0.000 1.233 851 P CA -0.057 63.156 63.100 0.187 0.000 0.789 851 P CB 0.765 32.534 31.700 0.114 0.000 0.951 852 I N 1.592 122.277 120.570 0.191 0.000 2.662 852 I HA -0.056 4.114 4.170 0.000 0.000 0.285 852 I C 1.275 177.508 176.117 0.192 0.000 1.161 852 I CA 0.509 61.906 61.300 0.161 0.000 1.415 852 I CB -0.257 37.796 38.000 0.088 0.000 1.385 852 I HN 0.131 nan 8.210 nan 0.000 0.552 853 Q N 5.270 125.164 119.800 0.157 0.000 2.256 853 Q HA 0.202 4.542 4.340 0.000 0.000 0.254 853 Q C -0.315 175.685 176.000 -0.001 0.000 0.916 853 Q CA -0.637 55.214 55.803 0.081 0.000 0.932 853 Q CB 1.352 30.101 28.738 0.018 0.000 1.207 853 Q HN 0.478 nan 8.270 nan 0.000 0.426 854 H N 2.642 121.620 119.070 -0.153 0.000 2.771 854 H HA -0.025 4.531 4.556 0.000 0.000 0.364 854 H C -0.072 175.138 175.328 -0.197 0.000 1.133 854 H CA 0.912 56.816 56.048 -0.240 0.000 1.423 854 H CB 0.541 29.988 29.762 -0.524 0.000 1.425 854 H HN 0.603 nan 8.280 nan 0.000 0.606 855 D N 0.673 120.712 120.400 -0.601 0.000 3.079 855 D HA -0.201 4.439 4.640 0.000 0.000 0.214 855 D C -0.545 175.739 176.300 -0.026 0.000 1.145 855 D CA 1.358 55.157 54.000 -0.336 0.000 0.958 855 D CB -1.548 39.003 40.800 -0.414 0.000 1.117 855 D HN 0.564 nan 8.370 nan 0.000 0.416 856 S N -1.858 113.718 115.700 -0.208 0.000 2.638 856 S HA 0.794 5.264 4.470 0.000 0.000 0.302 856 S C 1.351 175.225 174.600 -1.211 0.000 1.096 856 S CA -0.068 57.809 58.200 -0.538 0.000 0.953 856 S CB 2.473 65.466 63.200 -0.344 0.000 1.107 856 S HN 0.071 nan 8.310 nan 0.000 0.503 857 A N 1.451 123.166 122.820 -1.842 0.000 1.940 857 A HA 0.162 4.482 4.320 0.000 0.000 0.219 857 A C 2.261 179.271 177.584 -0.956 0.000 1.176 857 A CA 1.840 52.667 52.037 -2.017 0.000 0.631 857 A CB -1.610 16.710 19.000 -1.133 0.000 0.814 857 A HN 1.535 nan 8.150 nan 0.000 0.446 858 A N 0.816 123.306 122.820 -0.550 0.000 2.178 858 A HA -0.134 4.186 4.320 0.000 0.000 0.218 858 A C 1.790 179.222 177.584 -0.254 0.000 1.157 858 A CA 1.439 53.312 52.037 -0.272 0.000 0.689 858 A CB -0.720 18.255 19.000 -0.041 0.000 0.787 858 A HN 0.832 nan 8.150 nan 0.000 0.465 859 E N -0.550 119.457 120.200 -0.322 0.000 2.267 859 E HA -0.157 4.193 4.350 0.000 0.000 0.197 859 E C -0.053 176.306 176.600 -0.401 0.000 0.998 859 E CA 0.635 56.892 56.400 -0.238 0.000 0.830 859 E CB -0.416 29.192 29.700 -0.152 0.000 0.751 859 E HN 0.395 nan 8.360 nan 0.000 0.491 860 L N 1.359 122.230 121.223 -0.588 0.000 2.583 860 L HA 0.213 4.553 4.340 0.000 0.000 0.239 860 L C 0.920 177.676 176.870 -0.190 0.000 1.347 860 L CA 0.086 54.281 54.840 -1.075 0.000 1.246 860 L CB 0.048 41.421 42.059 -1.144 0.000 1.496 860 L HN 0.197 nan 8.230 nan 0.000 0.413 861 A N 0.749 123.630 122.820 0.101 0.000 1.991 861 A HA 0.087 4.407 4.320 0.000 0.000 0.217 861 A C 0.837 178.732 177.584 0.518 0.000 1.487 861 A CA 0.342 52.556 52.037 0.294 0.000 0.603 861 A CB -0.089 19.047 19.000 0.228 0.000 1.112 861 A HN 0.490 nan 8.150 nan 0.000 0.492 862 Q N 0.542 120.677 119.800 0.558 0.000 2.465 862 Q HA 0.230 4.570 4.340 0.000 0.000 0.237 862 Q C -1.979 174.250 176.000 0.381 0.000 1.051 862 Q CA -2.005 54.048 55.803 0.417 0.000 0.874 862 Q CB 1.457 30.404 28.738 0.349 0.000 1.207 862 Q HN 0.478 nan 8.270 nan 0.000 0.508 863 P HA -0.151 nan 4.420 nan 0.000 0.216 863 P C 0.732 177.879 177.300 -0.254 0.000 1.153 863 P CA 1.122 63.783 63.100 -0.733 0.000 0.848 863 P CB 0.426 31.436 31.700 -1.150 0.000 0.787 864 L N -1.016 120.126 121.223 -0.135 0.000 2.575 864 L HA 0.272 4.612 4.340 0.000 0.000 0.228 864 L C 0.755 177.583 176.870 -0.071 0.000 1.075 864 L CA 0.769 55.560 54.840 -0.083 0.000 0.867 864 L CB -1.320 40.694 42.059 -0.076 0.000 1.097 864 L HN 0.188 nan 8.230 nan 0.000 0.485 865 D N -2.325 118.040 120.400 -0.059 0.000 2.851 865 D HA 0.336 4.976 4.640 0.000 0.000 0.339 865 D C -0.782 175.519 176.300 0.002 0.000 1.347 865 D CA -0.570 53.392 54.000 -0.062 0.000 0.888 865 D CB 1.768 42.563 40.800 -0.009 0.000 1.431 865 D HN -0.285 nan 8.370 nan 0.000 0.509 866 V N -0.049 119.906 119.914 0.068 0.000 2.398 866 V HA 0.491 4.611 4.120 0.000 0.000 0.286 866 V C -0.480 175.686 176.094 0.120 0.000 1.026 866 V CA -0.561 61.852 62.300 0.188 0.000 0.868 866 V CB 1.087 33.128 31.823 0.364 0.000 0.982 866 V HN 0.406 nan 8.190 nan 0.000 0.443 867 K N 2.955 123.416 120.400 0.102 0.000 2.502 867 K HA 0.366 4.686 4.320 0.000 0.000 0.254 867 K C -1.174 175.423 176.600 -0.006 0.000 0.947 867 K CA -0.721 55.594 56.287 0.046 0.000 0.834 867 K CB 2.102 34.643 32.500 0.069 0.000 1.112 867 K HN 0.574 nan 8.250 nan 0.000 0.427 868 D N 4.428 124.778 120.400 -0.084 0.000 2.411 868 D HA 0.014 4.654 4.640 0.000 0.000 0.225 868 D C 1.139 177.327 176.300 -0.187 0.000 1.156 868 D CA -0.563 53.303 54.000 -0.224 0.000 0.874 868 D CB 0.489 41.119 40.800 -0.284 0.000 1.034 868 D HN 0.648 nan 8.370 nan 0.000 0.502 869 W N 4.224 125.472 121.300 -0.085 0.000 2.342 869 W HA -0.152 4.508 4.660 0.000 0.000 0.297 869 W C 1.170 177.658 176.519 -0.051 0.000 1.213 869 W CA 0.247 57.559 57.345 -0.055 0.000 1.251 869 W CB -0.509 28.926 29.460 -0.041 0.000 1.136 869 W HN 0.347 nan 8.180 nan 0.000 0.526 870 K N 1.277 121.156 120.400 -0.868 0.000 2.280 870 K HA -0.138 4.182 4.320 0.000 0.000 0.202 870 K C 1.699 178.124 176.600 -0.291 0.000 1.047 870 K CA 1.188 57.044 56.287 -0.718 0.000 0.942 870 K CB -0.140 31.727 32.500 -1.054 0.000 0.739 870 K HN 0.056 nan 8.250 nan 0.000 0.457 871 K N -0.812 119.436 120.400 -0.253 0.000 2.437 871 K HA 0.062 4.382 4.320 0.000 0.000 0.198 871 K C 0.546 177.104 176.600 -0.069 0.000 1.024 871 K CA 0.444 56.639 56.287 -0.153 0.000 1.148 871 K CB 0.657 33.055 32.500 -0.169 0.000 0.860 871 K HN 0.367 nan 8.250 nan 0.000 0.515 872 G N 1.776 110.566 108.800 -0.016 0.000 2.175 872 G HA2 -0.334 3.626 3.960 0.000 0.000 0.265 872 G HA3 -0.334 3.626 3.960 0.000 0.000 0.265 872 G C 0.479 175.396 174.900 0.028 0.000 0.979 872 G CA 0.708 45.827 45.100 0.032 0.000 0.663 872 G HN 0.534 nan 8.290 nan 0.000 0.533 873 E N -0.669 119.538 120.200 0.012 0.000 2.478 873 E HA 0.252 4.602 4.350 0.000 0.000 0.198 873 E C 1.343 177.971 176.600 0.046 0.000 1.046 873 E CA 0.746 57.155 56.400 0.014 0.000 0.870 873 E CB -0.121 29.573 29.700 -0.009 0.000 0.818 873 E HN 1.145 nan 8.360 nan 0.000 0.527 874 C N -1.956 117.394 119.300 0.082 0.000 3.216 874 C HA 0.367 4.827 4.460 0.000 0.000 0.346 874 C C -1.029 174.040 174.990 0.131 0.000 1.384 874 C CA -1.484 57.591 59.018 0.095 0.000 1.208 874 C CB 1.055 28.856 27.740 0.102 0.000 1.483 874 C HN 0.018 nan 8.230 nan 0.000 0.453 875 D N -0.190 120.262 120.400 0.087 0.000 2.383 875 D HA 0.379 5.019 4.640 0.000 0.000 0.248 875 D C -0.483 175.826 176.300 0.015 0.000 1.170 875 D CA -0.491 53.541 54.000 0.053 0.000 0.977 875 D CB 1.089 41.892 40.800 0.004 0.000 1.120 875 D HN 0.791 nan 8.370 nan 0.000 0.481 876 L N 3.082 124.213 121.223 -0.154 0.000 2.356 876 L HA 0.329 4.669 4.340 0.000 0.000 0.282 876 L C -0.695 175.986 176.870 -0.315 0.000 1.132 876 L CA -0.336 54.205 54.840 -0.498 0.000 0.923 876 L CB -0.286 41.161 42.059 -1.020 0.000 1.278 876 L HN 0.326 nan 8.230 nan 0.000 0.436 877 I N 7.493 127.949 120.570 -0.190 0.000 2.347 877 I HA 0.285 4.455 4.170 0.000 0.000 0.283 877 I C -1.920 174.121 176.117 -0.126 0.000 1.058 877 I CA -2.008 59.220 61.300 -0.121 0.000 1.202 877 I CB 0.986 38.956 38.000 -0.051 0.000 1.386 877 I HN 0.411 nan 8.210 nan 0.000 0.475 878 P HA -0.012 nan 4.420 nan 0.000 0.264 878 P C 0.873 178.062 177.300 -0.185 0.000 1.183 878 P CA 0.828 63.848 63.100 -0.132 0.000 0.763 878 P CB 0.925 32.574 31.700 -0.085 0.000 0.807 879 G N 2.223 110.793 108.800 -0.383 0.000 2.175 879 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 879 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 879 G C 0.665 175.371 174.900 -0.323 0.000 0.982 879 G CA 0.719 45.363 45.100 -0.759 0.000 0.641 879 G HN 0.659 nan 8.290 nan 0.000 0.527 880 K N -1.482 118.834 120.400 -0.140 0.000 2.868 880 K HA 0.160 4.480 4.320 0.000 0.000 0.197 880 K C 1.893 178.541 176.600 0.081 0.000 1.543 880 K CA 1.058 57.341 56.287 -0.007 0.000 1.212 880 K CB 0.047 32.556 32.500 0.014 0.000 1.840 880 K HN 0.404 nan 8.250 nan 0.000 0.571 881 T N -1.036 113.555 114.554 0.062 0.000 3.132 881 T HA 0.658 5.008 4.350 0.000 0.000 0.274 881 T C -0.056 174.728 174.700 0.141 0.000 1.011 881 T CA -0.053 62.124 62.100 0.129 0.000 0.899 881 T CB 1.036 69.986 68.868 0.136 0.000 1.089 881 T HN 0.232 nan 8.240 nan 0.000 0.543 882 A N 1.636 124.488 122.820 0.053 0.000 2.564 882 A HA 0.807 5.127 4.320 0.000 0.000 0.291 882 A C -3.207 174.379 177.584 0.004 0.000 1.102 882 A CA -1.599 50.476 52.037 0.063 0.000 0.660 882 A CB 0.593 19.559 19.000 -0.058 0.000 1.283 882 A HN 0.075 nan 8.150 nan 0.000 0.430 883 P HA 0.223 nan 4.420 nan 0.000 0.277 883 P C -0.763 176.536 177.300 -0.001 0.000 1.240 883 P CA 0.102 63.229 63.100 0.045 0.000 0.798 883 P CB 0.258 32.052 31.700 0.156 0.000 0.979 884 H N 1.433 120.528 119.070 0.041 0.000 2.871 884 H HA 0.154 4.710 4.556 0.000 0.000 0.355 884 H C 0.335 175.666 175.328 0.005 0.000 1.092 884 H CA 0.632 56.684 56.048 0.007 0.000 1.420 884 H CB 0.424 30.182 29.762 -0.006 0.000 1.400 884 H HN 0.325 nan 8.280 nan 0.000 0.604 885 I N 4.565 125.200 120.570 0.109 0.000 2.405 885 I HA 0.095 4.265 4.170 0.000 0.000 0.280 885 I C -0.155 175.982 176.117 0.034 0.000 1.027 885 I CA -0.431 60.895 61.300 0.044 0.000 1.161 885 I CB 0.628 38.624 38.000 -0.005 0.000 1.300 885 I HN 0.214 nan 8.210 nan 0.000 0.463 886 M N 5.508 125.123 119.600 0.024 0.000 2.409 886 M HA 0.463 4.943 4.480 0.000 0.000 0.329 886 M C -0.269 176.026 176.300 -0.009 0.000 1.180 886 M CA -0.944 54.354 55.300 -0.003 0.000 1.053 886 M CB 1.867 34.452 32.600 -0.024 0.000 1.586 886 M HN 0.098 nan 8.290 nan 0.000 0.461 887 V N 2.708 122.613 119.914 -0.015 0.000 2.370 887 V HA 0.516 4.636 4.120 0.000 0.000 0.283 887 V C -0.278 175.805 176.094 -0.019 0.000 1.023 887 V CA -0.666 61.627 62.300 -0.012 0.000 0.857 887 V CB 1.756 33.574 31.823 -0.010 0.000 0.985 887 V HN 0.637 nan 8.190 nan 0.000 0.443 888 V N 4.665 124.568 119.914 -0.019 0.000 2.483 888 V HA 0.440 4.560 4.120 0.000 0.000 0.297 888 V C -0.278 175.798 176.094 -0.029 0.000 1.027 888 V CA -0.734 61.550 62.300 -0.027 0.000 0.855 888 V CB 2.002 33.803 31.823 -0.037 0.000 0.995 888 V HN 0.811 nan 8.190 nan 0.000 0.424 889 E N 4.649 124.832 120.200 -0.029 0.000 2.259 889 E HA 0.484 4.834 4.350 0.000 0.000 0.281 889 E C -0.423 176.127 176.600 -0.084 0.000 1.027 889 E CA -0.338 56.041 56.400 -0.036 0.000 0.838 889 E CB 1.532 31.223 29.700 -0.015 0.000 1.066 889 E HN 0.482 nan 8.360 nan 0.000 0.401 890 R N 1.689 122.102 120.500 -0.144 0.000 2.534 890 R HA 0.249 4.590 4.340 0.000 0.000 0.301 890 R C -0.616 175.489 176.300 -0.325 0.000 0.961 890 R CA -0.664 55.239 56.100 -0.328 0.000 0.871 890 R CB 1.509 31.441 30.300 -0.613 0.000 1.170 890 R HN 0.281 nan 8.270 nan 0.000 0.446 891 D N 2.920 123.144 120.400 -0.293 0.000 2.540 891 D HA 0.078 4.719 4.640 0.000 0.000 0.251 891 D C 0.349 176.567 176.300 -0.136 0.000 1.159 891 D CA -0.321 53.585 54.000 -0.157 0.000 0.974 891 D CB 0.310 41.044 40.800 -0.110 0.000 0.996 891 D HN 0.477 nan 8.370 nan 0.000 0.512 892 Y N 1.149 121.483 120.300 0.057 0.000 2.193 892 Y HA -0.144 4.406 4.550 0.000 0.000 0.285 892 Y C -0.653 175.317 175.900 0.117 0.000 1.166 892 Y CA 1.279 59.464 58.100 0.142 0.000 1.181 892 Y CB -1.278 37.270 38.460 0.147 0.000 0.976 892 Y HN 0.426 nan 8.280 nan 0.000 0.520 893 P HA -0.049 nan 4.420 nan 0.000 0.222 893 P C 0.793 178.150 177.300 0.095 0.000 1.153 893 P CA 1.847 65.011 63.100 0.107 0.000 0.798 893 P CB 0.057 31.796 31.700 0.064 0.000 0.796 894 A N -1.442 121.404 122.820 0.044 0.000 2.370 894 A HA 0.107 4.427 4.320 0.000 0.000 0.238 894 A C 1.743 179.292 177.584 -0.058 0.000 1.289 894 A CA 0.495 52.522 52.037 -0.018 0.000 0.885 894 A CB -1.272 17.668 19.000 -0.101 0.000 0.961 894 A HN 0.047 nan 8.150 nan 0.000 0.499 895 T N -0.853 113.738 114.554 0.062 0.000 2.635 895 T HA -0.253 4.098 4.350 0.000 0.000 0.267 895 T C 1.725 176.473 174.700 0.079 0.000 1.040 895 T CA 2.194 64.332 62.100 0.063 0.000 1.156 895 T CB -0.449 68.582 68.868 0.272 0.000 0.863 895 T HN 0.687 nan 8.240 nan 0.000 0.430 896 Y N 2.038 122.363 120.300 0.042 0.000 2.145 896 Y HA -0.138 4.412 4.550 0.000 0.000 0.286 896 Y C 2.464 178.386 175.900 0.036 0.000 1.145 896 Y CA 1.408 59.522 58.100 0.023 0.000 1.148 896 Y CB -0.214 38.249 38.460 0.005 0.000 0.981 896 Y HN 0.087 nan 8.280 nan 0.000 0.507 897 E N 0.437 120.608 120.200 -0.048 0.000 2.153 897 E HA -0.181 4.169 4.350 0.000 0.000 0.194 897 E C 2.244 178.712 176.600 -0.220 0.000 0.988 897 E CA 1.214 57.527 56.400 -0.145 0.000 0.811 897 E CB -0.220 29.471 29.700 -0.014 0.000 0.746 897 E HN 0.600 nan 8.360 nan 0.000 0.466 898 R N -0.426 119.832 120.500 -0.403 0.000 2.073 898 R HA -0.053 4.287 4.340 0.000 0.000 0.229 898 R C 2.331 178.458 176.300 -0.288 0.000 1.120 898 R CA 0.856 56.481 56.100 -0.791 0.000 0.967 898 R CB -0.474 29.003 30.300 -1.372 0.000 0.862 898 R HN 0.134 nan 8.270 nan 0.000 0.436 899 F N 2.181 121.945 119.950 -0.310 0.000 2.126 899 F HA -0.196 4.331 4.527 0.000 0.000 0.299 899 F C 2.000 177.727 175.800 -0.122 0.000 1.096 899 F CA 1.829 59.711 58.000 -0.197 0.000 1.255 899 F CB -0.137 38.722 39.000 -0.234 0.000 0.997 899 F HN -0.026 nan 8.300 nan 0.000 0.479 900 T N -1.492 113.061 114.554 -0.002 0.000 3.366 900 T HA 0.298 4.648 4.350 0.000 0.000 0.249 900 T C 0.024 174.757 174.700 0.056 0.000 1.028 900 T CA 0.187 62.289 62.100 0.004 0.000 0.938 900 T CB -1.017 67.707 68.868 -0.240 0.000 1.046 900 T HN 0.295 nan 8.240 nan 0.000 0.587 901 S N 0.143 115.914 115.700 0.119 0.000 2.537 901 S HA 0.588 5.058 4.470 0.000 0.000 0.271 901 S C -0.889 173.885 174.600 0.291 0.000 1.148 901 S CA -1.225 57.096 58.200 0.201 0.000 0.868 901 S CB 0.791 64.143 63.200 0.254 0.000 1.115 901 S HN 0.310 nan 8.310 nan 0.000 0.461 902 I N 2.816 123.472 120.570 0.143 0.000 2.379 902 I HA 0.365 4.535 4.170 0.000 0.000 0.290 902 I C 1.443 177.462 176.117 -0.164 0.000 1.063 902 I CA -0.245 61.073 61.300 0.030 0.000 1.351 902 I CB 0.244 38.227 38.000 -0.029 0.000 1.410 902 I HN 0.968 nan 8.210 nan 0.000 0.505 903 G N 7.799 116.283 108.800 -0.526 0.000 2.690 903 G HA2 0.078 4.038 3.960 0.000 0.000 0.239 903 G HA3 0.078 4.038 3.960 0.000 0.000 0.239 903 G C -1.285 173.100 174.900 -0.858 0.000 1.233 903 G CA -0.731 43.458 45.100 -1.518 0.000 0.847 903 G HN 0.519 nan 8.290 nan 0.000 0.588 904 P HA -0.033 nan 4.420 nan 0.000 0.229 904 P C 1.856 178.962 177.300 -0.322 0.000 1.160 904 P CA 0.538 63.355 63.100 -0.472 0.000 0.777 904 P CB 0.220 31.670 31.700 -0.416 0.000 0.814 905 L N -1.261 119.758 121.223 -0.340 0.000 2.191 905 L HA -0.106 4.234 4.340 0.000 0.000 0.212 905 L C 2.534 179.300 176.870 -0.174 0.000 1.103 905 L CA 1.044 55.758 54.840 -0.211 0.000 0.769 905 L CB -0.914 41.041 42.059 -0.174 0.000 0.908 905 L HN -0.051 nan 8.230 nan 0.000 0.438 906 M N -0.604 118.885 119.600 -0.186 0.000 2.279 906 M HA -0.150 4.330 4.480 0.000 0.000 0.264 906 M C 1.878 178.115 176.300 -0.106 0.000 1.062 906 M CA 1.546 56.766 55.300 -0.134 0.000 1.099 906 M CB -0.896 31.634 32.600 -0.116 0.000 1.394 906 M HN 0.295 nan 8.290 nan 0.000 0.426 907 E N -0.352 119.778 120.200 -0.117 0.000 2.127 907 E HA -0.069 4.281 4.350 0.000 0.000 0.191 907 E C 2.060 178.613 176.600 -0.079 0.000 0.964 907 E CA 0.435 56.784 56.400 -0.085 0.000 0.832 907 E CB 0.184 29.832 29.700 -0.087 0.000 0.790 907 E HN 0.408 nan 8.360 nan 0.000 0.465 908 K N 0.907 121.248 120.400 -0.099 0.000 2.001 908 K HA -0.075 4.245 4.320 0.000 0.000 0.208 908 K C 1.869 178.423 176.600 -0.076 0.000 1.048 908 K CA 1.223 57.460 56.287 -0.083 0.000 0.932 908 K CB 0.125 32.570 32.500 -0.093 0.000 0.715 908 K HN 0.028 nan 8.250 nan 0.000 0.437 909 I N -0.791 119.723 120.570 -0.093 0.000 2.810 909 I HA 0.181 4.351 4.170 0.000 0.000 0.262 909 I C 1.055 177.107 176.117 -0.108 0.000 1.131 909 I CA 0.408 61.652 61.300 -0.094 0.000 1.453 909 I CB 0.688 38.626 38.000 -0.104 0.000 1.161 909 I HN 0.491 nan 8.210 nan 0.000 0.444 910 G N 1.117 109.843 108.800 -0.123 0.000 2.396 910 G HA2 -0.145 3.815 3.960 0.000 0.000 0.254 910 G HA3 -0.145 3.815 3.960 0.000 0.000 0.254 910 G C -1.300 173.465 174.900 -0.225 0.000 1.248 910 G CA -0.446 44.564 45.100 -0.151 0.000 1.033 910 G HN 0.278 nan 8.290 nan 0.000 0.502 911 N N -0.631 117.836 118.700 -0.388 0.000 2.571 911 N HA 0.870 5.610 4.740 0.000 0.000 0.273 911 N C 0.104 174.997 175.510 -1.028 0.000 1.340 911 N CA 1.238 53.983 53.050 -0.508 0.000 0.789 911 N CB 1.747 40.054 38.487 -0.301 0.000 1.514 911 N HN 2.240 nan 8.380 nan 0.000 0.499 912 G N -1.337 106.912 108.800 -0.920 0.000 2.324 912 G HA2 0.558 4.518 3.960 0.000 0.000 0.293 912 G HA3 0.558 4.518 3.960 0.000 0.000 0.293 912 G C -1.231 173.378 174.900 -0.485 0.000 1.297 912 G CA 0.015 44.415 45.100 -1.166 0.000 0.853 912 G HN 1.024 nan 8.290 nan 0.000 0.535 913 G N -1.406 107.204 108.800 -0.318 0.000 2.338 913 G HA2 0.595 4.555 3.960 0.000 0.000 0.295 913 G HA3 0.595 4.555 3.960 0.000 0.000 0.295 913 G C 0.055 174.878 174.900 -0.127 0.000 1.461 913 G CA 0.459 45.471 45.100 -0.147 0.000 0.817 913 G HN 1.686 nan 8.290 nan 0.000 0.556 914 K N -0.742 119.572 120.400 -0.144 0.000 3.077 914 K HA -0.123 4.197 4.320 0.000 0.000 0.264 914 K C 1.217 177.693 176.600 -0.206 0.000 1.008 914 K CA 1.619 57.798 56.287 -0.180 0.000 0.740 914 K CB -1.390 30.990 32.500 -0.200 0.000 1.273 914 K HN 2.750 nan 8.250 nan 0.000 0.477 915 G N -0.009 108.698 108.800 -0.155 0.000 2.160 915 G HA2 -0.278 3.682 3.960 0.000 0.000 0.251 915 G HA3 -0.278 3.682 3.960 0.000 0.000 0.251 915 G C 0.090 174.848 174.900 -0.236 0.000 1.008 915 G CA 0.610 45.641 45.100 -0.115 0.000 0.724 915 G HN 0.879 nan 8.290 nan 0.000 0.514 916 I N -3.851 116.638 120.570 -0.135 0.000 2.894 916 I HA 0.931 5.101 4.170 0.000 0.000 0.302 916 I C -0.267 175.811 176.117 -0.065 0.000 1.188 916 I CA -1.157 60.127 61.300 -0.027 0.000 1.014 916 I CB 2.284 40.307 38.000 0.038 0.000 1.242 916 I HN 0.751 nan 8.210 nan 0.000 0.430 917 A N 3.127 125.954 122.820 0.012 0.000 2.539 917 A HA 0.939 5.259 4.320 0.000 0.000 0.296 917 A C -1.864 175.741 177.584 0.036 0.000 1.073 917 A CA -0.554 51.345 52.037 -0.230 0.000 0.700 917 A CB 1.347 20.244 19.000 -0.171 0.000 1.296 917 A HN 1.056 nan 8.150 nan 0.000 0.405 918 W N 0.714 122.016 121.300 0.005 0.000 3.042 918 W HA 0.656 5.316 4.660 0.000 0.000 0.342 918 W C -0.876 175.643 176.519 -0.000 0.000 1.240 918 W CA -0.829 56.521 57.345 0.008 0.000 1.166 918 W CB 0.917 30.378 29.460 0.001 0.000 1.469 918 W HN 0.611 nan 8.180 nan 0.000 0.579 919 N N 0.638 119.515 118.700 0.295 0.000 2.472 919 N HA 0.202 4.942 4.740 0.000 0.000 0.277 919 N C -0.728 174.931 175.510 0.247 0.000 1.081 919 N CA 0.261 53.411 53.050 0.168 0.000 0.973 919 N CB 1.715 40.269 38.487 0.112 0.000 1.105 919 N HN 0.638 nan 8.380 nan 0.000 0.470 920 T N 2.369 117.019 114.554 0.161 0.000 3.374 920 T HA 0.082 4.432 4.350 0.000 0.000 0.267 920 T C 0.994 175.739 174.700 0.073 0.000 0.996 920 T CA -0.279 61.922 62.100 0.169 0.000 0.977 920 T CB 0.097 69.087 68.868 0.203 0.000 1.149 920 T HN 0.561 nan 8.240 nan 0.000 0.517 921 Q N 1.150 120.981 119.800 0.052 0.000 2.049 921 Q HA -0.050 4.290 4.340 0.000 0.000 0.198 921 Q C 2.347 178.359 176.000 0.020 0.000 0.971 921 Q CA 2.533 58.349 55.803 0.021 0.000 0.833 921 Q CB -0.389 28.358 28.738 0.016 0.000 0.896 921 Q HN 0.593 nan 8.270 nan 0.000 0.434 922 S N -0.193 115.524 115.700 0.029 0.000 2.383 922 S HA -0.214 4.256 4.470 0.000 0.000 0.229 922 S C 1.714 176.324 174.600 0.017 0.000 1.030 922 S CA 1.341 59.554 58.200 0.020 0.000 1.002 922 S CB -0.492 62.721 63.200 0.023 0.000 0.829 922 S HN 0.387 nan 8.310 nan 0.000 0.467 923 E N 1.232 121.450 120.200 0.029 0.000 2.077 923 E HA 0.035 4.385 4.350 0.000 0.000 0.193 923 E C 2.183 178.788 176.600 0.009 0.000 0.989 923 E CA 1.191 57.607 56.400 0.025 0.000 0.800 923 E CB -0.377 29.352 29.700 0.049 0.000 0.746 923 E HN 0.392 nan 8.360 nan 0.000 0.452 924 M N 0.819 120.422 119.600 0.004 0.000 2.213 924 M HA -0.134 4.346 4.480 0.000 0.000 0.263 924 M C 1.092 177.382 176.300 -0.016 0.000 1.062 924 M CA 1.284 56.576 55.300 -0.014 0.000 1.105 924 M CB -0.691 31.893 32.600 -0.027 0.000 1.385 924 M HN 0.080 nan 8.290 nan 0.000 0.417 925 D N 0.195 120.589 120.400 -0.010 0.000 2.144 925 D HA -0.095 4.545 4.640 0.000 0.000 0.200 925 D C 2.152 178.441 176.300 -0.019 0.000 0.978 925 D CA 0.752 54.745 54.000 -0.012 0.000 0.833 925 D CB -0.173 40.623 40.800 -0.006 0.000 0.961 925 D HN 0.316 nan 8.370 nan 0.000 0.470 926 L N 0.524 121.737 121.223 -0.016 0.000 2.056 926 L HA -0.113 4.227 4.340 0.000 0.000 0.207 926 L C 2.309 179.154 176.870 -0.041 0.000 1.078 926 L CA 0.758 55.583 54.840 -0.025 0.000 0.749 926 L CB -0.114 41.936 42.059 -0.014 0.000 0.901 926 L HN 0.027 nan 8.230 nan 0.000 0.433 927 L N -0.695 120.508 121.223 -0.034 0.000 2.191 927 L HA -0.199 4.141 4.340 0.000 0.000 0.212 927 L C 2.699 179.535 176.870 -0.057 0.000 1.103 927 L CA 0.931 55.745 54.840 -0.043 0.000 0.769 927 L CB -0.425 41.616 42.059 -0.029 0.000 0.908 927 L HN 0.235 nan 8.230 nan 0.000 0.438 928 R N 0.079 120.553 120.500 -0.044 0.000 2.148 928 R HA -0.124 4.216 4.340 0.000 0.000 0.227 928 R C 2.063 178.313 176.300 -0.083 0.000 1.103 928 R CA 0.974 57.052 56.100 -0.037 0.000 0.983 928 R CB -0.051 30.240 30.300 -0.014 0.000 0.874 928 R HN 0.395 nan 8.270 nan 0.000 0.451 929 K N 0.065 120.401 120.400 -0.107 0.000 2.262 929 K HA 0.045 4.366 4.320 0.000 0.000 0.200 929 K C 1.895 178.314 176.600 -0.302 0.000 1.049 929 K CA 0.630 56.818 56.287 -0.165 0.000 0.979 929 K CB 0.224 32.666 32.500 -0.098 0.000 0.773 929 K HN 0.093 nan 8.250 nan 0.000 0.474 930 L N 0.628 121.710 121.223 -0.234 0.000 2.202 930 L HA -0.019 4.321 4.340 0.000 0.000 0.205 930 L C 1.147 177.833 176.870 -0.306 0.000 1.083 930 L CA 0.772 55.465 54.840 -0.245 0.000 0.790 930 L CB -0.050 41.936 42.059 -0.121 0.000 0.942 930 L HN 0.093 nan 8.230 nan 0.000 0.452 931 N N -1.896 116.674 118.700 -0.217 0.000 2.254 931 N HA 0.085 4.825 4.740 0.000 0.000 0.190 931 N C -0.771 174.762 175.510 0.038 0.000 1.107 931 N CA -0.147 52.853 53.050 -0.082 0.000 0.869 931 N CB 0.298 38.774 38.487 -0.017 0.000 0.983 931 N HN 0.024 nan 8.380 nan 0.000 0.487 932 Y N -1.183 119.126 120.300 0.015 0.000 2.500 932 Y HA -0.293 4.257 4.550 0.000 0.000 0.037 932 Y C 0.675 176.590 175.900 0.025 0.000 1.695 932 Y CA 0.039 58.151 58.100 0.021 0.000 1.424 932 Y CB -1.287 37.187 38.460 0.024 0.000 2.069 932 Y HN 0.086 nan 8.280 nan 0.000 0.253 933 T N -0.807 113.879 114.554 0.219 0.000 2.916 933 T HA 0.670 5.020 4.350 0.000 0.000 0.292 933 T C -0.914 173.856 174.700 0.115 0.000 1.055 933 T CA -1.473 60.705 62.100 0.130 0.000 1.009 933 T CB 2.129 71.052 68.868 0.092 0.000 1.118 933 T HN 0.467 nan 8.240 nan 0.000 0.497 934 K N 1.458 121.918 120.400 0.100 0.000 2.447 934 K HA 0.296 4.616 4.320 0.000 0.000 0.281 934 K C 1.406 178.053 176.600 0.079 0.000 1.031 934 K CA 0.260 56.603 56.287 0.093 0.000 1.019 934 K CB 0.874 33.436 32.500 0.103 0.000 0.918 934 K HN 0.810 nan 8.250 nan 0.000 0.476 935 A N 3.408 126.269 122.820 0.068 0.000 1.930 935 A HA -0.145 4.175 4.320 0.000 0.000 0.217 935 A C 0.958 178.575 177.584 0.055 0.000 1.175 935 A CA 1.550 53.621 52.037 0.055 0.000 0.627 935 A CB -0.020 19.006 19.000 0.044 0.000 0.815 935 A HN 0.861 nan 8.150 nan 0.000 0.443 936 E N -3.377 116.860 120.200 0.062 0.000 2.166 936 E HA 0.464 4.814 4.350 0.000 0.000 0.223 936 E C 0.365 177.009 176.600 0.073 0.000 1.174 936 E CA -0.146 56.290 56.400 0.061 0.000 0.901 936 E CB -0.257 29.473 29.700 0.050 0.000 1.893 936 E HN 1.507 nan 8.360 nan 0.000 0.487 937 G N 0.218 109.059 108.800 0.068 0.000 2.741 937 G HA2 -0.179 3.781 3.960 0.000 0.000 0.222 937 G HA3 -0.179 3.781 3.960 0.000 0.000 0.222 937 G C -2.046 172.903 174.900 0.082 0.000 1.364 937 G CA -0.073 45.071 45.100 0.074 0.000 0.866 937 G HN 0.458 nan 8.290 nan 0.000 0.555 938 P HA 0.128 nan 4.420 nan 0.000 0.218 938 P C 1.616 179.025 177.300 0.181 0.000 1.148 938 P CA 2.576 65.738 63.100 0.102 0.000 0.822 938 P CB 0.058 31.791 31.700 0.055 0.000 0.784 939 A N -1.300 121.637 122.820 0.194 0.000 2.423 939 A HA 0.087 4.407 4.320 0.000 0.000 0.246 939 A C 0.810 178.500 177.584 0.176 0.000 1.278 939 A CA -0.362 51.849 52.037 0.291 0.000 0.903 939 A CB -0.896 18.320 19.000 0.360 0.000 0.997 939 A HN 0.037 nan 8.150 nan 0.000 0.510 940 K N 0.273 120.749 120.400 0.126 0.000 2.543 940 K HA 0.125 4.445 4.320 0.000 0.000 0.279 940 K C 1.266 177.911 176.600 0.075 0.000 1.001 940 K CA 1.298 57.639 56.287 0.090 0.000 1.088 940 K CB -0.175 32.368 32.500 0.072 0.000 0.863 940 K HN 0.915 nan 8.250 nan 0.000 0.488 941 G N 2.190 111.030 108.800 0.066 0.000 2.225 941 G HA2 -0.229 3.731 3.960 0.000 0.000 0.254 941 G HA3 -0.229 3.731 3.960 0.000 0.000 0.254 941 G C -0.171 174.753 174.900 0.039 0.000 0.988 941 G CA 0.069 45.198 45.100 0.048 0.000 0.625 941 G HN 0.591 nan 8.290 nan 0.000 0.527 942 Q N 0.865 120.697 119.800 0.053 0.000 2.260 942 Q HA 0.472 4.812 4.340 0.000 0.000 0.242 942 Q C -2.276 173.756 176.000 0.052 0.000 0.932 942 Q CA -1.991 53.832 55.803 0.033 0.000 0.891 942 Q CB 0.921 29.684 28.738 0.043 0.000 1.222 942 Q HN 0.215 nan 8.270 nan 0.000 0.453 943 P HA 0.026 nan 4.420 nan 0.000 0.268 943 P C -0.271 177.069 177.300 0.067 0.000 1.208 943 P CA 0.359 63.481 63.100 0.036 0.000 0.777 943 P CB 0.541 32.243 31.700 0.003 0.000 0.875 944 M N 2.107 121.755 119.600 0.080 0.000 2.359 944 M HA 0.319 4.799 4.480 0.000 0.000 0.322 944 M C 0.141 176.491 176.300 0.083 0.000 1.166 944 M CA -0.038 55.321 55.300 0.099 0.000 1.067 944 M CB 0.451 33.128 32.600 0.129 0.000 1.523 944 M HN 0.232 nan 8.290 nan 0.000 0.467 945 L N 2.319 123.612 121.223 0.117 0.000 2.511 945 L HA 0.247 4.587 4.340 0.000 0.000 0.252 945 L C 0.544 177.597 176.870 0.304 0.000 1.542 945 L CA -0.204 54.729 54.840 0.156 0.000 0.822 945 L CB 0.256 42.422 42.059 0.178 0.000 1.050 945 L HN 0.671 nan 8.230 nan 0.000 0.516 946 N N 0.152 118.990 118.700 0.230 0.000 2.278 946 N HA 0.022 4.762 4.740 0.000 0.000 0.181 946 N C 0.953 176.704 175.510 0.401 0.000 1.023 946 N CA 1.015 54.239 53.050 0.290 0.000 0.862 946 N CB 0.438 39.035 38.487 0.182 0.000 1.003 946 N HN 0.501 nan 8.380 nan 0.000 0.431 947 T N -2.451 112.198 114.554 0.158 0.000 2.936 947 T HA 0.645 4.995 4.350 0.000 0.000 0.282 947 T C 1.194 175.621 174.700 -0.455 0.000 1.003 947 T CA -0.414 61.687 62.100 0.002 0.000 1.005 947 T CB 1.997 70.843 68.868 -0.038 0.000 1.097 947 T HN 0.073 nan 8.240 nan 0.000 0.532 948 A N 0.460 122.928 122.820 -0.587 0.000 2.015 948 A HA 0.101 4.421 4.320 0.000 0.000 0.219 948 A C 2.172 179.368 177.584 -0.648 0.000 1.163 948 A CA 0.860 52.391 52.037 -0.843 0.000 0.646 948 A CB -1.054 17.693 19.000 -0.422 0.000 0.806 948 A HN 0.862 nan 8.150 nan 0.000 0.448 949 I N -0.200 120.057 120.570 -0.521 0.000 2.252 949 I HA -0.203 3.967 4.170 0.000 0.000 0.245 949 I C 1.749 177.622 176.117 -0.407 0.000 1.102 949 I CA 1.265 62.208 61.300 -0.597 0.000 1.385 949 I CB -0.441 37.286 38.000 -0.455 0.000 1.064 949 I HN 0.268 nan 8.210 nan 0.000 0.414 950 D N 1.354 121.578 120.400 -0.292 0.000 2.123 950 D HA -0.184 4.456 4.640 0.000 0.000 0.196 950 D C 2.241 178.402 176.300 -0.232 0.000 0.992 950 D CA 1.670 55.556 54.000 -0.190 0.000 0.833 950 D CB -0.162 40.577 40.800 -0.101 0.000 0.954 950 D HN 0.357 nan 8.370 nan 0.000 0.455 951 A N 1.338 123.924 122.820 -0.390 0.000 1.877 951 A HA -0.065 4.255 4.320 0.000 0.000 0.216 951 A C 2.385 179.819 177.584 -0.249 0.000 1.186 951 A CA 2.391 54.191 52.037 -0.394 0.000 0.620 951 A CB -0.796 17.726 19.000 -0.797 0.000 0.822 951 A HN 0.245 nan 8.150 nan 0.000 0.443 952 A N -0.317 122.325 122.820 -0.296 0.000 1.908 952 A HA -0.187 4.133 4.320 0.000 0.000 0.218 952 A C 1.912 179.457 177.584 -0.065 0.000 1.181 952 A CA 1.748 53.686 52.037 -0.164 0.000 0.627 952 A CB -0.495 18.327 19.000 -0.296 0.000 0.818 952 A HN 0.504 nan 8.150 nan 0.000 0.445 953 E N -0.748 119.391 120.200 -0.101 0.000 2.153 953 E HA -0.204 4.146 4.350 0.000 0.000 0.194 953 E C 1.951 178.540 176.600 -0.019 0.000 0.988 953 E CA 1.201 57.584 56.400 -0.029 0.000 0.811 953 E CB -0.406 29.266 29.700 -0.047 0.000 0.746 953 E HN 0.799 nan 8.360 nan 0.000 0.466 954 M N 0.436 120.010 119.600 -0.045 0.000 2.086 954 M HA -0.152 4.328 4.480 0.000 0.000 0.261 954 M C 2.188 178.499 176.300 0.019 0.000 1.067 954 M CA 1.404 56.691 55.300 -0.022 0.000 1.116 954 M CB -0.054 32.519 32.600 -0.044 0.000 1.348 954 M HN 0.005 nan 8.290 nan 0.000 0.407 955 I N 0.508 121.099 120.570 0.034 0.000 2.163 955 I HA -0.349 3.821 4.170 0.000 0.000 0.243 955 I C 2.293 178.467 176.117 0.094 0.000 1.085 955 I CA 1.333 62.691 61.300 0.096 0.000 1.347 955 I CB -0.523 37.560 38.000 0.139 0.000 1.044 955 I HN 0.381 nan 8.210 nan 0.000 0.408 956 L N -0.079 121.189 121.223 0.075 0.000 2.017 956 L HA -0.208 4.132 4.340 0.000 0.000 0.208 956 L C 2.643 179.549 176.870 0.059 0.000 1.073 956 L CA 1.688 56.572 54.840 0.073 0.000 0.745 956 L CB -0.995 41.111 42.059 0.077 0.000 0.894 956 L HN 0.242 nan 8.230 nan 0.000 0.432 957 T N 0.126 114.708 114.554 0.046 0.000 2.788 957 T HA -0.112 4.238 4.350 0.000 0.000 0.268 957 T C 1.920 176.651 174.700 0.052 0.000 1.044 957 T CA 1.152 63.275 62.100 0.037 0.000 1.139 957 T CB -0.110 68.771 68.868 0.021 0.000 0.867 957 T HN 0.193 nan 8.240 nan 0.000 0.454 958 L N 0.175 121.442 121.223 0.073 0.000 2.307 958 L HA 0.286 4.626 4.340 0.000 0.000 0.211 958 L C 1.449 178.409 176.870 0.149 0.000 1.099 958 L CA -0.212 54.697 54.840 0.115 0.000 0.816 958 L CB -0.374 41.753 42.059 0.114 0.000 0.952 958 L HN 0.130 nan 8.230 nan 0.000 0.455 959 A N 0.849 123.743 122.820 0.123 0.000 2.388 959 A HA 0.257 4.577 4.320 0.000 0.000 0.257 959 A C -1.504 176.100 177.584 0.033 0.000 1.095 959 A CA -1.106 51.004 52.037 0.122 0.000 0.791 959 A CB -0.048 19.035 19.000 0.138 0.000 1.029 959 A HN -0.020 nan 8.150 nan 0.000 0.489 960 P HA -0.086 nan 4.420 nan 0.000 0.225 960 P C 0.499 177.774 177.300 -0.042 0.000 1.156 960 P CA 1.029 64.034 63.100 -0.158 0.000 0.787 960 P CB 0.317 31.789 31.700 -0.381 0.000 0.802 961 E N 0.034 120.254 120.200 0.034 0.000 2.268 961 E HA -0.071 4.279 4.350 0.000 0.000 0.195 961 E C 1.537 178.173 176.600 0.061 0.000 0.995 961 E CA 1.657 58.107 56.400 0.083 0.000 0.836 961 E CB -0.852 28.934 29.700 0.142 0.000 0.763 961 E HN 0.394 nan 8.360 nan 0.000 0.491 962 T N -2.551 112.034 114.554 0.051 0.000 3.132 962 T HA 0.210 4.560 4.350 0.000 0.000 0.274 962 T C 0.193 174.913 174.700 0.033 0.000 1.011 962 T CA -0.592 61.536 62.100 0.047 0.000 0.899 962 T CB 0.080 68.983 68.868 0.058 0.000 1.089 962 T HN -0.106 nan 8.240 nan 0.000 0.543 963 N N 0.475 119.185 118.700 0.016 0.000 2.629 963 N HA 0.322 5.062 4.740 0.000 0.000 0.277 963 N C 1.198 176.699 175.510 -0.015 0.000 1.188 963 N CA -0.013 53.039 53.050 0.003 0.000 0.835 963 N CB 1.414 39.902 38.487 0.001 0.000 1.420 963 N HN 0.167 nan 8.380 nan 0.000 0.542 964 G N 1.564 110.365 108.800 0.002 0.000 2.469 964 G HA2 -0.305 3.655 3.960 0.000 0.000 0.220 964 G HA3 -0.305 3.655 3.960 0.000 0.000 0.220 964 G C 1.006 175.898 174.900 -0.012 0.000 1.136 964 G CA 0.876 45.980 45.100 0.007 0.000 0.759 964 G HN 0.646 nan 8.290 nan 0.000 0.562 965 Q N -0.520 119.268 119.800 -0.019 0.000 2.030 965 Q HA -0.099 4.241 4.340 0.000 0.000 0.204 965 Q C 2.864 178.817 176.000 -0.079 0.000 0.986 965 Q CA 1.695 57.481 55.803 -0.028 0.000 0.843 965 Q CB -0.183 28.546 28.738 -0.015 0.000 0.904 965 Q HN 0.386 nan 8.270 nan 0.000 0.420 966 V N 0.564 120.405 119.914 -0.122 0.000 2.515 966 V HA -0.245 3.875 4.120 0.000 0.000 0.250 966 V C 2.198 178.044 176.094 -0.413 0.000 1.058 966 V CA 1.566 63.696 62.300 -0.284 0.000 1.064 966 V CB -0.919 30.758 31.823 -0.244 0.000 0.675 966 V HN 0.436 nan 8.190 nan 0.000 0.461 967 A N -0.203 122.475 122.820 -0.235 0.000 1.978 967 A HA -0.156 4.164 4.320 0.000 0.000 0.220 967 A C 2.367 179.918 177.584 -0.056 0.000 1.170 967 A CA 2.102 54.027 52.037 -0.187 0.000 0.636 967 A CB -0.523 18.479 19.000 0.003 0.000 0.810 967 A HN 0.366 nan 8.150 nan 0.000 0.448 968 V N -0.258 119.651 119.914 -0.009 0.000 2.407 968 V HA -0.183 3.937 4.120 0.000 0.000 0.245 968 V C 2.348 178.454 176.094 0.020 0.000 1.041 968 V CA 2.062 64.410 62.300 0.079 0.000 1.040 968 V CB -0.546 31.308 31.823 0.053 0.000 0.671 968 V HN 0.515 nan 8.190 nan 0.000 0.455 969 K N 0.306 120.648 120.400 -0.096 0.000 2.147 969 K HA -0.108 4.212 4.320 0.000 0.000 0.205 969 K C 2.246 178.765 176.600 -0.135 0.000 1.049 969 K CA 1.365 57.605 56.287 -0.078 0.000 0.936 969 K CB -0.305 32.136 32.500 -0.099 0.000 0.722 969 K HN 0.482 nan 8.250 nan 0.000 0.446 970 A N 0.465 123.014 122.820 -0.451 0.000 1.873 970 A HA -0.142 4.178 4.320 0.000 0.000 0.215 970 A C 1.780 179.234 177.584 -0.217 0.000 1.186 970 A CA 0.985 52.675 52.037 -0.577 0.000 0.616 970 A CB -0.857 17.488 19.000 -1.092 0.000 0.823 970 A HN 0.432 nan 8.150 nan 0.000 0.442 971 W N -0.242 121.003 121.300 -0.091 0.000 2.402 971 W HA 0.033 4.693 4.660 0.000 0.000 0.286 971 W C 2.689 179.262 176.519 0.089 0.000 1.221 971 W CA 0.877 58.231 57.345 0.016 0.000 1.257 971 W CB 0.018 29.478 29.460 0.001 0.000 1.120 971 W HN 0.417 nan 8.180 nan 0.000 0.551 972 A N 0.665 123.646 122.820 0.269 0.000 1.858 972 A HA -0.131 4.189 4.320 0.000 0.000 0.216 972 A C 2.077 179.798 177.584 0.228 0.000 1.190 972 A CA 2.408 54.571 52.037 0.210 0.000 0.617 972 A CB -1.371 17.715 19.000 0.144 0.000 0.827 972 A HN 0.190 nan 8.150 nan 0.000 0.443 973 A N -0.550 122.407 122.820 0.229 0.000 1.917 973 A HA -0.130 4.190 4.320 0.000 0.000 0.219 973 A C 2.158 179.952 177.584 0.350 0.000 1.182 973 A CA 1.922 54.128 52.037 0.281 0.000 0.633 973 A CB -0.675 18.525 19.000 0.334 0.000 0.819 973 A HN 0.806 nan 8.150 nan 0.000 0.448 974 L N -0.229 121.179 121.223 0.309 0.000 2.201 974 L HA -0.030 4.310 4.340 0.000 0.000 0.212 974 L C 2.315 179.477 176.870 0.487 0.000 1.105 974 L CA 2.225 57.272 54.840 0.345 0.000 0.775 974 L CB -0.451 41.753 42.059 0.242 0.000 0.913 974 L HN 0.254 nan 8.230 nan 0.000 0.440 975 S N -0.371 115.585 115.700 0.427 0.000 2.442 975 S HA -0.110 4.360 4.470 0.000 0.000 0.236 975 S C 1.717 176.451 174.600 0.224 0.000 1.007 975 S CA 0.882 59.257 58.200 0.293 0.000 0.965 975 S CB -0.297 63.002 63.200 0.164 0.000 0.773 975 S HN 0.510 nan 8.310 nan 0.000 0.504 976 E N 0.574 120.926 120.200 0.252 0.000 2.152 976 E HA -0.007 4.343 4.350 0.000 0.000 0.192 976 E C 1.522 178.178 176.600 0.094 0.000 0.983 976 E CA 0.790 57.265 56.400 0.125 0.000 0.818 976 E CB -0.272 29.465 29.700 0.063 0.000 0.758 976 E HN 0.576 nan 8.360 nan 0.000 0.467 977 F N 1.033 121.057 119.950 0.123 0.000 2.128 977 F HA -0.138 4.389 4.527 0.000 0.000 0.295 977 F C 2.773 178.725 175.800 0.253 0.000 1.100 977 F CA 1.642 59.731 58.000 0.150 0.000 1.260 977 F CB -0.413 38.685 39.000 0.164 0.000 1.009 977 F HN 0.052 nan 8.300 nan 0.000 0.476 978 T N -3.289 111.541 114.554 0.461 0.000 3.014 978 T HA 0.243 4.593 4.350 0.000 0.000 0.263 978 T C 1.868 176.652 174.700 0.141 0.000 1.078 978 T CA 0.724 63.001 62.100 0.295 0.000 1.135 978 T CB -0.211 68.861 68.868 0.340 0.000 0.895 978 T HN 0.471 nan 8.240 nan 0.000 0.480 979 G N 1.644 110.509 108.800 0.109 0.000 2.162 979 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 979 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 979 G C 0.080 174.963 174.900 -0.028 0.000 0.976 979 G CA 0.117 45.237 45.100 0.034 0.000 0.655 979 G HN 0.737 nan 8.290 nan 0.000 0.533 980 R N 0.060 120.507 120.500 -0.089 0.000 2.637 980 R HA 0.491 4.831 4.340 0.000 0.000 0.291 980 R C -0.922 175.107 176.300 -0.451 0.000 0.963 980 R CA -0.806 55.157 56.100 -0.228 0.000 0.901 980 R CB 1.359 31.528 30.300 -0.217 0.000 1.160 980 R HN 0.232 nan 8.270 nan 0.000 0.457 981 D N 0.891 121.113 120.400 -0.297 0.000 2.383 981 D HA 0.016 4.656 4.640 0.000 0.000 0.252 981 D C 0.207 176.379 176.300 -0.213 0.000 1.166 981 D CA 0.219 54.098 54.000 -0.202 0.000 0.879 981 D CB 0.627 41.393 40.800 -0.058 0.000 1.164 981 D HN 0.526 nan 8.370 nan 0.000 0.462 982 H N 1.806 120.954 119.070 0.130 0.000 3.058 982 H HA 0.074 4.630 4.556 0.000 0.000 0.266 982 H C 1.683 176.797 175.328 -0.357 0.000 1.135 982 H CA 0.735 56.730 56.048 -0.088 0.000 1.174 982 H CB 0.277 30.069 29.762 0.051 0.000 1.581 982 H HN 0.558 nan 8.280 nan 0.000 0.553 983 T N -0.561 114.013 114.554 0.033 0.000 2.881 983 T HA -0.198 4.152 4.350 0.000 0.000 0.270 983 T C 1.860 176.465 174.700 -0.159 0.000 1.068 983 T CA 1.382 63.479 62.100 -0.005 0.000 1.131 983 T CB -0.550 68.370 68.868 0.087 0.000 0.871 983 T HN 0.559 nan 8.240 nan 0.000 0.479 984 H N 1.522 120.506 119.070 -0.143 0.000 2.518 984 H HA 0.080 4.636 4.556 0.000 0.000 0.289 984 H C 1.965 177.177 175.328 -0.194 0.000 1.051 984 H CA 0.800 56.770 56.048 -0.130 0.000 1.280 984 H CB -0.812 28.889 29.762 -0.103 0.000 1.380 984 H HN 0.385 nan 8.280 nan 0.000 0.566 985 L N 0.141 120.744 121.223 -1.034 0.000 2.362 985 L HA 0.011 4.351 4.340 0.000 0.000 0.219 985 L C 2.199 178.825 176.870 -0.407 0.000 1.134 985 L CA 1.014 55.339 54.840 -0.858 0.000 0.807 985 L CB -0.053 41.165 42.059 -1.403 0.000 0.927 985 L HN 0.458 nan 8.230 nan 0.000 0.447 986 A N -1.862 120.795 122.820 -0.272 0.000 2.653 986 A HA 0.259 4.579 4.320 0.000 0.000 0.248 986 A C 1.716 179.300 177.584 -0.001 0.000 1.211 986 A CA -0.337 51.684 52.037 -0.027 0.000 0.991 986 A CB 0.097 19.203 19.000 0.176 0.000 1.252 986 A HN 0.156 nan 8.150 nan 0.000 0.593 987 L N 1.064 122.272 121.223 -0.024 0.000 2.042 987 L HA -0.194 4.146 4.340 0.000 0.000 0.210 987 L C 2.067 178.943 176.870 0.010 0.000 1.076 987 L CA 1.644 56.488 54.840 0.007 0.000 0.749 987 L CB -0.407 41.661 42.059 0.015 0.000 0.893 987 L HN 0.688 nan 8.230 nan 0.000 0.432 988 N N -0.098 118.605 118.700 0.005 0.000 2.485 988 N HA -0.131 4.609 4.740 0.000 0.000 0.199 988 N C 0.740 176.256 175.510 0.009 0.000 1.236 988 N CA 0.619 53.674 53.050 0.009 0.000 0.852 988 N CB 0.084 38.576 38.487 0.010 0.000 1.018 988 N HN 0.394 nan 8.380 nan 0.000 0.457 989 K N -0.363 120.045 120.400 0.013 0.000 2.586 989 K HA 0.075 4.395 4.320 0.000 0.000 0.198 989 K C 0.728 177.340 176.600 0.020 0.000 1.170 989 K CA -0.098 56.199 56.287 0.017 0.000 1.069 989 K CB 0.649 33.163 32.500 0.023 0.000 0.944 989 K HN 0.077 nan 8.250 nan 0.000 0.572 990 E N 1.559 121.771 120.200 0.019 0.000 2.160 990 E HA -0.242 4.108 4.350 0.000 0.000 0.195 990 E C 1.310 177.917 176.600 0.012 0.000 0.991 990 E CA 1.565 57.975 56.400 0.017 0.000 0.810 990 E CB 0.204 29.915 29.700 0.018 0.000 0.742 990 E HN 0.153 nan 8.360 nan 0.000 0.466 991 D N 0.718 121.125 120.400 0.011 0.000 2.317 991 D HA -0.110 4.530 4.640 0.000 0.000 0.211 991 D C 0.110 176.416 176.300 0.009 0.000 0.966 991 D CA 0.205 54.210 54.000 0.009 0.000 0.876 991 D CB -0.056 40.749 40.800 0.008 0.000 0.927 991 D HN 0.082 nan 8.370 nan 0.000 0.519 992 E N 0.879 121.086 120.200 0.012 0.000 2.465 992 E HA 0.020 4.370 4.350 0.000 0.000 0.260 992 E C -0.731 175.878 176.600 0.014 0.000 0.980 992 E CA 0.564 56.972 56.400 0.014 0.000 0.927 992 E CB 0.268 29.979 29.700 0.019 0.000 0.934 992 E HN -0.057 nan 8.360 nan 0.000 0.459 993 K N 4.977 125.385 120.400 0.014 0.000 2.687 993 K HA 0.299 4.619 4.320 0.000 0.000 0.249 993 K C -0.900 175.712 176.600 0.020 0.000 0.994 993 K CA -0.423 55.874 56.287 0.016 0.000 0.913 993 K CB 0.972 33.479 32.500 0.012 0.000 1.202 993 K HN 0.562 nan 8.250 nan 0.000 0.460 994 I N 3.935 124.522 120.570 0.028 0.000 2.396 994 I HA 0.177 4.347 4.170 0.000 0.000 0.289 994 I C 0.401 176.543 176.117 0.041 0.000 1.056 994 I CA -0.256 61.063 61.300 0.031 0.000 1.365 994 I CB 0.320 38.344 38.000 0.039 0.000 1.407 994 I HN 0.241 nan 8.210 nan 0.000 0.509 995 R N 4.666 125.187 120.500 0.035 0.000 2.668 995 R HA 0.232 4.572 4.340 0.000 0.000 0.279 995 R C 0.577 176.923 176.300 0.077 0.000 0.976 995 R CA -0.772 55.365 56.100 0.061 0.000 0.978 995 R CB 0.946 31.272 30.300 0.043 0.000 1.133 995 R HN 0.522 nan 8.270 nan 0.000 0.484 996 F N 2.668 122.611 119.950 -0.011 0.000 2.095 996 F HA -0.181 4.346 4.527 0.000 0.000 0.298 996 F C 1.915 177.709 175.800 -0.010 0.000 1.104 996 F CA 1.849 59.842 58.000 -0.011 0.000 1.232 996 F CB 0.200 39.188 39.000 -0.019 0.000 0.987 996 F HN 0.402 nan 8.300 nan 0.000 0.475 997 R N -0.019 120.496 120.500 0.024 0.000 2.148 997 R HA -0.129 4.211 4.340 0.000 0.000 0.227 997 R C 1.776 177.999 176.300 -0.127 0.000 1.103 997 R CA 1.275 57.331 56.100 -0.074 0.000 0.983 997 R CB -0.468 29.858 30.300 0.043 0.000 0.874 997 R HN 0.326 nan 8.270 nan 0.000 0.451 998 D N 1.000 121.346 120.400 -0.089 0.000 2.144 998 D HA -0.121 4.519 4.640 0.000 0.000 0.200 998 D C 1.870 178.093 176.300 -0.129 0.000 0.978 998 D CA 1.109 55.058 54.000 -0.085 0.000 0.833 998 D CB -0.081 40.691 40.800 -0.046 0.000 0.961 998 D HN 0.363 nan 8.370 nan 0.000 0.470 999 I N -1.403 119.065 120.570 -0.169 0.000 2.830 999 I HA -0.108 4.062 4.170 0.000 0.000 0.263 999 I C 1.813 177.786 176.117 -0.241 0.000 1.230 999 I CA 0.873 62.067 61.300 -0.177 0.000 1.480 999 I CB -0.251 37.665 38.000 -0.139 0.000 1.095 999 I HN -0.156 nan 8.210 nan 0.000 0.455 1000 Q N 1.462 121.069 119.800 -0.322 0.000 2.230 1000 Q HA 0.012 4.352 4.340 0.000 0.000 0.202 1000 Q C 2.457 178.343 176.000 -0.191 0.000 0.963 1000 Q CA 1.397 57.029 55.803 -0.285 0.000 0.866 1000 Q CB -0.001 28.554 28.738 -0.305 0.000 0.931 1000 Q HN 0.749 nan 8.270 nan 0.000 0.452 1001 A N 0.266 122.986 122.820 -0.166 0.000 1.975 1001 A HA -0.047 4.273 4.320 0.000 0.000 0.215 1001 A C 0.842 178.332 177.584 -0.157 0.000 1.170 1001 A CA 0.645 52.599 52.037 -0.137 0.000 0.656 1001 A CB 0.308 19.244 19.000 -0.106 0.000 0.821 1001 A HN 0.302 nan 8.150 nan 0.000 0.449 1002 Q N -0.822 118.877 119.800 -0.168 0.000 2.430 1002 Q HA 0.285 4.625 4.340 0.000 0.000 0.253 1002 Q C -3.162 172.724 176.000 -0.190 0.000 0.945 1002 Q CA -1.715 53.967 55.803 -0.201 0.000 0.964 1002 Q CB 1.740 30.374 28.738 -0.174 0.000 1.460 1002 Q HN 0.007 nan 8.270 nan 0.000 0.428 1003 P HA -0.012 nan 4.420 nan 0.000 0.263 1003 P C -1.129 176.118 177.300 -0.088 0.000 1.175 1003 P CA 0.226 63.223 63.100 -0.172 0.000 0.761 1003 P CB 0.459 31.933 31.700 -0.376 0.000 0.794 1004 R N 2.675 123.205 120.500 0.049 0.000 2.589 1004 R HA 0.368 4.708 4.340 0.000 0.000 0.293 1004 R C 0.137 176.575 176.300 0.230 0.000 0.963 1004 R CA -1.079 55.081 56.100 0.100 0.000 0.905 1004 R CB 1.352 31.681 30.300 0.049 0.000 1.144 1004 R HN 0.415 nan 8.270 nan 0.000 0.459 1005 K N 2.944 123.490 120.400 0.243 0.000 2.270 1005 K HA 0.230 4.550 4.320 0.000 0.000 0.276 1005 K C 0.590 177.234 176.600 0.073 0.000 1.023 1005 K CA -0.386 56.009 56.287 0.180 0.000 0.955 1005 K CB 0.553 33.139 32.500 0.144 0.000 0.975 1005 K HN 0.587 nan 8.250 nan 0.000 0.471 1006 I N 0.818 121.398 120.570 0.017 0.000 3.276 1006 I HA 0.332 4.502 4.170 0.000 0.000 0.306 1006 I C -0.157 175.982 176.117 0.037 0.000 1.060 1006 I CA -0.841 60.473 61.300 0.022 0.000 1.133 1006 I CB 0.575 38.573 38.000 -0.004 0.000 1.473 1006 I HN 0.421 nan 8.210 nan 0.000 0.649 1007 I N 1.253 121.861 120.570 0.064 0.000 2.412 1007 I HA 0.224 4.394 4.170 0.000 0.000 0.296 1007 I C 0.223 176.438 176.117 0.164 0.000 0.987 1007 I CA -0.592 60.764 61.300 0.094 0.000 1.180 1007 I CB 1.670 39.720 38.000 0.084 0.000 1.340 1007 I HN 0.597 nan 8.210 nan 0.000 0.455 1008 S N 3.601 119.422 115.700 0.202 0.000 2.575 1008 S HA 0.060 4.530 4.470 0.000 0.000 0.295 1008 S C 0.037 174.941 174.600 0.508 0.000 1.267 1008 S CA 0.080 58.483 58.200 0.337 0.000 1.074 1008 S CB 0.217 63.566 63.200 0.248 0.000 0.829 1008 S HN 0.681 nan 8.310 nan 0.000 0.497 1009 S N 3.335 119.289 115.700 0.424 0.000 2.549 1009 S HA 0.553 5.023 4.470 0.000 0.000 0.280 1009 S C -2.114 172.208 174.600 -0.462 0.000 1.109 1009 S CA -1.803 56.357 58.200 -0.066 0.000 0.905 1009 S CB 1.658 64.840 63.200 -0.029 0.000 1.081 1009 S HN 0.399 nan 8.310 nan 0.000 0.477 1010 P HA -0.003 nan 4.420 nan 0.000 0.228 1010 P C 1.059 178.016 177.300 -0.572 0.000 1.151 1010 P CA 0.923 63.284 63.100 -1.231 0.000 0.770 1010 P CB -0.260 30.663 31.700 -1.295 0.000 0.786 1011 T N -1.508 112.697 114.554 -0.582 0.000 2.962 1011 T HA -0.068 4.282 4.350 0.000 0.000 0.270 1011 T C 0.387 174.464 174.700 -1.039 0.000 1.088 1011 T CA 1.119 62.749 62.100 -0.783 0.000 1.127 1011 T CB -0.264 68.065 68.868 -0.898 0.000 0.883 1011 T HN 0.235 nan 8.240 nan 0.000 0.493 1012 W N -0.294 121.014 121.300 0.013 0.000 2.958 1012 W HA 0.469 5.129 4.660 0.000 0.000 0.339 1012 W C 0.830 177.422 176.519 0.122 0.000 1.174 1012 W CA -0.921 56.498 57.345 0.123 0.000 1.064 1012 W CB 0.816 30.413 29.460 0.227 0.000 1.471 1012 W HN -0.239 nan 8.180 nan 0.000 0.599 1013 S N -0.626 115.307 115.700 0.389 0.000 2.602 1013 S HA 0.512 4.982 4.470 0.000 0.000 0.240 1013 S C 0.064 174.689 174.600 0.041 0.000 0.992 1013 S CA -0.304 57.993 58.200 0.161 0.000 0.971 1013 S CB -0.183 63.057 63.200 0.066 0.000 0.855 1013 S HN 0.614 nan 8.310 nan 0.000 0.481 1014 G N 0.775 109.526 108.800 -0.081 0.000 2.600 1014 G HA2 0.716 4.676 3.960 0.000 0.000 0.303 1014 G HA3 0.716 4.676 3.960 0.000 0.000 0.303 1014 G C -1.224 173.456 174.900 -0.367 0.000 1.253 1014 G CA -1.012 43.601 45.100 -0.813 0.000 0.974 1014 G HN 0.334 nan 8.290 nan 0.000 0.483 1015 L N 0.358 121.317 121.223 -0.439 0.000 2.334 1015 L HA 0.461 4.802 4.340 0.000 0.000 0.273 1015 L C -0.519 176.354 176.870 0.005 0.000 1.013 1015 L CA -1.004 53.760 54.840 -0.127 0.000 0.816 1015 L CB 2.132 44.051 42.059 -0.235 0.000 1.278 1015 L HN 0.353 nan 8.230 nan 0.000 0.431 1016 E N 2.254 122.499 120.200 0.076 0.000 2.028 1016 E HA 0.339 4.689 4.350 0.000 0.000 0.266 1016 E C -1.291 175.296 176.600 -0.022 0.000 0.962 1016 E CA -0.215 56.213 56.400 0.047 0.000 0.784 1016 E CB 1.615 31.351 29.700 0.059 0.000 1.114 1016 E HN 0.482 nan 8.360 nan 0.000 0.414 1017 D N 0.640 120.998 120.400 -0.070 0.000 2.559 1017 D HA 0.127 4.767 4.640 0.000 0.000 0.250 1017 D C 0.551 176.775 176.300 -0.127 0.000 1.135 1017 D CA -0.474 53.469 54.000 -0.096 0.000 0.955 1017 D CB 1.330 42.062 40.800 -0.113 0.000 1.442 1017 D HN 0.282 nan 8.370 nan 0.000 0.471 1018 E N -0.383 119.692 120.200 -0.209 0.000 2.472 1018 E HA 0.010 4.360 4.350 0.000 0.000 0.196 1018 E C 0.397 176.749 176.600 -0.413 0.000 1.033 1018 E CA 0.476 56.688 56.400 -0.312 0.000 0.886 1018 E CB 0.195 29.664 29.700 -0.385 0.000 0.944 1018 E HN 0.388 nan 8.360 nan 0.000 0.492 1019 H N -0.281 118.763 119.070 -0.042 0.000 2.788 1019 H HA 0.291 4.847 4.556 0.000 0.000 0.262 1019 H C -0.058 175.232 175.328 -0.064 0.000 0.968 1019 H CA 0.183 56.208 56.048 -0.039 0.000 1.218 1019 H CB 1.489 31.234 29.762 -0.029 0.000 1.443 1019 H HN 0.046 nan 8.280 nan 0.000 0.478 1020 V N 1.693 121.592 119.914 -0.026 0.000 2.588 1020 V HA 0.354 4.474 4.120 0.000 0.000 0.304 1020 V C -0.140 175.845 176.094 -0.181 0.000 1.042 1020 V CA -0.522 61.700 62.300 -0.130 0.000 0.877 1020 V CB 2.040 33.700 31.823 -0.271 0.000 0.996 1020 V HN 0.206 nan 8.190 nan 0.000 0.425 1021 S N 4.366 119.978 115.700 -0.148 0.000 2.596 1021 S HA 0.257 4.727 4.470 0.000 0.000 0.260 1021 S C -0.654 173.845 174.600 -0.168 0.000 1.336 1021 S CA -0.029 58.096 58.200 -0.125 0.000 0.993 1021 S CB 0.367 63.512 63.200 -0.092 0.000 0.923 1021 S HN 0.751 nan 8.310 nan 0.000 0.567 1022 Y N 2.799 122.985 120.300 -0.189 0.000 2.480 1022 Y HA 0.219 4.769 4.550 0.000 0.000 0.341 1022 Y C 0.317 176.157 175.900 -0.099 0.000 1.031 1022 Y CA 0.103 58.105 58.100 -0.164 0.000 1.295 1022 Y CB 0.147 38.508 38.460 -0.165 0.000 1.162 1022 Y HN 0.540 nan 8.280 nan 0.000 0.523 1023 N N 5.201 123.622 118.700 -0.465 0.000 2.410 1023 N HA 0.412 5.152 4.740 0.000 0.000 0.287 1023 N C -1.253 174.143 175.510 -0.189 0.000 1.044 1023 N CA -0.439 52.523 53.050 -0.146 0.000 0.881 1023 N CB 1.505 39.990 38.487 -0.004 0.000 1.405 1023 N HN 0.812 nan 8.380 nan 0.000 0.490 1024 A N 1.683 124.505 122.820 0.003 0.000 2.531 1024 A HA 0.413 4.733 4.320 0.000 0.000 0.236 1024 A C 1.425 179.043 177.584 0.057 0.000 1.062 1024 A CA 1.025 53.099 52.037 0.062 0.000 0.760 1024 A CB -0.442 18.656 19.000 0.163 0.000 0.995 1024 A HN 1.272 nan 8.150 nan 0.000 0.501 1025 G N 0.290 109.119 108.800 0.048 0.000 2.189 1025 G HA2 -0.379 3.581 3.960 0.000 0.000 0.267 1025 G HA3 -0.379 3.581 3.960 0.000 0.000 0.267 1025 G C 0.777 175.700 174.900 0.039 0.000 0.975 1025 G CA 1.231 46.364 45.100 0.054 0.000 0.644 1025 G HN 1.378 nan 8.290 nan 0.000 0.537 1026 Y N 2.048 122.317 120.300 -0.051 0.000 2.224 1026 Y HA -0.122 4.428 4.550 0.000 0.000 0.289 1026 Y C 3.060 178.986 175.900 0.043 0.000 1.146 1026 Y CA 3.037 61.162 58.100 0.042 0.000 1.182 1026 Y CB -0.164 38.244 38.460 -0.086 0.000 0.983 1026 Y HN 0.457 nan 8.280 nan 0.000 0.524 1027 T N -1.926 112.674 114.554 0.077 0.000 2.777 1027 T HA -0.179 4.171 4.350 0.000 0.000 0.266 1027 T C 1.521 176.076 174.700 -0.242 0.000 1.040 1027 T CA 1.656 63.734 62.100 -0.036 0.000 1.141 1027 T CB -0.819 68.044 68.868 -0.009 0.000 0.868 1027 T HN 0.385 nan 8.240 nan 0.000 0.444 1028 N N 1.472 119.905 118.700 -0.445 0.000 2.043 1028 N HA -0.071 4.669 4.740 0.000 0.000 0.193 1028 N C 1.881 177.024 175.510 -0.611 0.000 1.037 1028 N CA 1.374 53.948 53.050 -0.794 0.000 0.851 1028 N CB -0.764 36.675 38.487 -1.745 0.000 1.027 1028 N HN 0.186 nan 8.380 nan 0.000 0.422 1029 V N 0.249 119.805 119.914 -0.598 0.000 2.427 1029 V HA -0.206 3.914 4.120 0.000 0.000 0.248 1029 V C 1.300 177.051 176.094 -0.572 0.000 1.051 1029 V CA 1.823 63.686 62.300 -0.728 0.000 1.048 1029 V CB -0.519 30.844 31.823 -0.767 0.000 0.666 1029 V HN 0.425 nan 8.190 nan 0.000 0.456 1030 H N -1.372 117.480 119.070 -0.364 0.000 2.582 1030 H HA 0.176 4.732 4.556 0.000 0.000 0.269 1030 H C 1.805 177.059 175.328 -0.123 0.000 0.962 1030 H CA 0.548 56.428 56.048 -0.279 0.000 1.230 1030 H CB 0.382 29.820 29.762 -0.541 0.000 1.445 1030 H HN 0.256 nan 8.280 nan 0.000 0.528 1031 E N 0.452 120.638 120.200 -0.023 0.000 2.498 1031 E HA 0.085 4.435 4.350 0.000 0.000 0.203 1031 E C 0.017 176.637 176.600 0.032 0.000 1.013 1031 E CA 0.010 56.441 56.400 0.052 0.000 0.927 1031 E CB 0.699 30.414 29.700 0.024 0.000 1.012 1031 E HN 0.165 nan 8.360 nan 0.000 0.482 1032 L N 0.506 121.687 121.223 -0.070 0.000 4.001 1032 L HA -0.232 4.108 4.340 0.000 0.000 0.413 1032 L C -0.033 176.726 176.870 -0.185 0.000 1.185 1032 L CA 0.764 55.550 54.840 -0.090 0.000 0.963 1032 L CB -1.989 40.046 42.059 -0.040 0.000 1.976 1032 L HN 0.173 nan 8.230 nan 0.000 0.939 1033 I N 1.135 121.530 120.570 -0.292 0.000 2.441 1033 I HA 0.227 4.397 4.170 0.000 0.000 0.287 1033 I C -1.581 174.144 176.117 -0.654 0.000 1.049 1033 I CA -1.699 59.333 61.300 -0.447 0.000 1.381 1033 I CB 0.927 38.672 38.000 -0.426 0.000 1.409 1033 I HN -0.049 nan 8.210 nan 0.000 0.523 1034 P HA 0.011 nan 4.420 nan 0.000 0.274 1034 P C -0.877 176.135 177.300 -0.480 0.000 1.237 1034 P CA -0.333 62.344 63.100 -0.705 0.000 0.793 1034 P CB 0.454 31.555 31.700 -0.998 0.000 0.977 1035 W N 2.002 123.261 121.300 -0.068 0.000 2.272 1035 W HA 0.177 4.837 4.660 0.000 0.000 0.318 1035 W C 0.673 177.327 176.519 0.225 0.000 1.255 1035 W CA -0.031 57.377 57.345 0.105 0.000 1.200 1035 W CB 0.368 29.937 29.460 0.181 0.000 1.170 1035 W HN 0.256 nan 8.180 nan 0.000 0.549 1036 R N 1.669 122.482 120.500 0.521 0.000 4.874 1036 R HA 0.018 4.358 4.340 0.000 0.000 0.173 1036 R C 0.640 177.257 176.300 0.527 0.000 2.034 1036 R CA 0.249 56.681 56.100 0.554 0.000 1.630 1036 R CB -0.787 29.769 30.300 0.428 0.000 1.372 1036 R HN 0.236 nan 8.270 nan 0.000 0.843 1037 T N -3.535 111.280 114.554 0.436 0.000 2.942 1037 T HA 0.226 4.576 4.350 0.000 0.000 0.289 1037 T C 0.985 175.896 174.700 0.351 0.000 1.044 1037 T CA -1.072 61.197 62.100 0.282 0.000 1.023 1037 T CB 1.298 70.145 68.868 -0.035 0.000 1.123 1037 T HN 0.135 nan 8.240 nan 0.000 0.512 1038 L N 1.715 123.194 121.223 0.427 0.000 2.034 1038 L HA -0.142 4.198 4.340 0.000 0.000 0.217 1038 L C 2.523 179.576 176.870 0.304 0.000 1.077 1038 L CA 2.984 58.034 54.840 0.350 0.000 0.769 1038 L CB -0.947 41.317 42.059 0.342 0.000 0.890 1038 L HN 0.959 nan 8.230 nan 0.000 0.435 1039 S N -2.066 113.780 115.700 0.243 0.000 2.528 1039 S HA 0.303 4.773 4.470 0.000 0.000 0.219 1039 S C 1.661 176.411 174.600 0.251 0.000 0.985 1039 S CA 0.390 58.728 58.200 0.230 0.000 0.914 1039 S CB 0.109 63.411 63.200 0.170 0.000 0.776 1039 S HN 0.903 nan 8.310 nan 0.000 0.526 1040 G N 1.066 110.039 108.800 0.288 0.000 2.284 1040 G HA2 -0.279 3.681 3.960 0.000 0.000 0.247 1040 G HA3 -0.279 3.681 3.960 0.000 0.000 0.247 1040 G C 0.323 175.431 174.900 0.348 0.000 1.012 1040 G CA 0.216 45.494 45.100 0.297 0.000 0.618 1040 G HN 0.621 nan 8.290 nan 0.000 0.521 1041 R N 0.273 120.943 120.500 0.284 0.000 2.705 1041 R HA 0.661 5.001 4.340 0.000 0.000 0.246 1041 R C 0.455 176.767 176.300 0.019 0.000 1.142 1041 R CA -0.612 55.662 56.100 0.289 0.000 1.114 1041 R CB 0.312 30.707 30.300 0.158 0.000 1.256 1041 R HN 0.358 nan 8.270 nan 0.000 0.536 1042 Q N 1.733 121.331 119.800 -0.337 0.000 2.271 1042 Q HA 0.009 4.349 4.340 0.000 0.000 0.273 1042 Q C -0.574 175.238 176.000 -0.313 0.000 1.051 1042 Q CA 0.223 55.701 55.803 -0.542 0.000 0.901 1042 Q CB 0.685 29.048 28.738 -0.626 0.000 1.174 1042 Q HN 0.123 nan 8.270 nan 0.000 0.385 1043 Q N 3.032 122.622 119.800 -0.349 0.000 2.344 1043 Q HA 0.029 4.369 4.340 0.000 0.000 0.253 1043 Q C 0.281 176.161 176.000 -0.200 0.000 1.050 1043 Q CA 0.068 55.732 55.803 -0.232 0.000 0.912 1043 Q CB 0.922 29.472 28.738 -0.313 0.000 1.258 1043 Q HN 0.615 nan 8.270 nan 0.000 0.443 1044 L N 2.531 123.717 121.223 -0.062 0.000 2.249 1044 L HA 0.018 4.358 4.340 0.000 0.000 0.207 1044 L C 0.405 177.341 176.870 0.111 0.000 1.090 1044 L CA 0.928 55.764 54.840 -0.007 0.000 0.802 1044 L CB -0.127 41.979 42.059 0.079 0.000 0.947 1044 L HN 0.498 nan 8.230 nan 0.000 0.453 1045 Y N 1.028 121.341 120.300 0.022 0.000 2.342 1045 Y HA 0.419 4.969 4.550 0.000 0.000 0.338 1045 Y C -0.279 175.682 175.900 0.102 0.000 0.965 1045 Y CA -1.075 57.069 58.100 0.073 0.000 1.159 1045 Y CB 0.558 39.076 38.460 0.097 0.000 1.157 1045 Y HN 0.021 nan 8.280 nan 0.000 0.486 1046 Q N 5.289 124.892 119.800 -0.329 0.000 2.390 1046 Q HA 0.129 4.469 4.340 0.000 0.000 0.249 1046 Q C -0.064 175.724 176.000 -0.353 0.000 0.996 1046 Q CA -0.225 55.485 55.803 -0.156 0.000 0.899 1046 Q CB 1.015 29.725 28.738 -0.046 0.000 1.216 1046 Q HN 0.847 nan 8.270 nan 0.000 0.465 1047 D N 0.366 120.705 120.400 -0.101 0.000 2.358 1047 D HA -0.076 4.564 4.640 0.000 0.000 0.224 1047 D C 0.112 176.441 176.300 0.048 0.000 1.123 1047 D CA -0.236 53.744 54.000 -0.033 0.000 0.833 1047 D CB 0.114 41.045 40.800 0.217 0.000 0.946 1047 D HN 0.402 nan 8.370 nan 0.000 0.505 1048 H N 1.465 120.485 119.070 -0.083 0.000 2.764 1048 H HA 0.010 4.566 4.556 0.000 0.000 0.341 1048 H C 1.219 176.488 175.328 -0.097 0.000 1.072 1048 H CA 0.264 56.086 56.048 -0.377 0.000 1.444 1048 H CB 1.582 31.018 29.762 -0.542 0.000 1.458 1048 H HN 0.112 nan 8.280 nan 0.000 0.572 1049 Q N 3.479 123.012 119.800 -0.447 0.000 2.065 1049 Q HA -0.247 4.093 4.340 0.000 0.000 0.213 1049 Q C 1.364 177.603 176.000 0.399 0.000 1.012 1049 Q CA 2.586 58.400 55.803 0.018 0.000 0.876 1049 Q CB -0.137 28.644 28.738 0.072 0.000 0.954 1049 Q HN 0.753 nan 8.270 nan 0.000 0.413 1050 W N -0.123 121.387 121.300 0.350 0.000 2.338 1050 W HA -0.166 4.494 4.660 0.000 0.000 0.304 1050 W C 2.315 179.066 176.519 0.387 0.000 1.212 1050 W CA 0.813 58.464 57.345 0.510 0.000 1.264 1050 W CB -0.600 29.217 29.460 0.595 0.000 1.142 1050 W HN 0.308 nan 8.180 nan 0.000 0.512 1051 M N -0.137 119.755 119.600 0.487 0.000 2.117 1051 M HA -0.161 4.319 4.480 0.000 0.000 0.262 1051 M C 1.988 178.386 176.300 0.165 0.000 1.065 1051 M CA 1.598 57.049 55.300 0.252 0.000 1.114 1051 M CB -1.468 31.210 32.600 0.131 0.000 1.361 1051 M HN 0.070 nan 8.290 nan 0.000 0.408 1052 R N 0.141 120.713 120.500 0.121 0.000 2.066 1052 R HA -0.131 4.209 4.340 0.000 0.000 0.232 1052 R C 1.554 177.875 176.300 0.034 0.000 1.131 1052 R CA 1.310 57.444 56.100 0.056 0.000 0.955 1052 R CB -0.416 29.914 30.300 0.050 0.000 0.851 1052 R HN 0.411 nan 8.270 nan 0.000 0.432 1053 D N -0.260 120.132 120.400 -0.013 0.000 2.317 1053 D HA -0.069 4.571 4.640 0.000 0.000 0.211 1053 D C 0.763 176.793 176.300 -0.451 0.000 0.966 1053 D CA 0.873 54.718 54.000 -0.258 0.000 0.876 1053 D CB 0.034 40.552 40.800 -0.470 0.000 0.927 1053 D HN 0.120 nan 8.370 nan 0.000 0.519 1054 F N 0.218 120.088 119.950 -0.133 0.000 2.660 1054 F HA 0.281 4.808 4.527 0.000 0.000 0.297 1054 F C 1.581 177.366 175.800 -0.025 0.000 1.132 1054 F CA -0.271 57.651 58.000 -0.130 0.000 1.372 1054 F CB 0.209 39.124 39.000 -0.143 0.000 1.003 1054 F HN -0.088 nan 8.300 nan 0.000 0.524 1055 G N 1.182 110.064 108.800 0.136 0.000 2.305 1055 G HA2 -0.332 3.628 3.960 0.000 0.000 0.287 1055 G HA3 -0.332 3.628 3.960 0.000 0.000 0.287 1055 G C 0.544 175.557 174.900 0.189 0.000 1.036 1055 G CA 0.331 45.563 45.100 0.221 0.000 0.887 1055 G HN 0.529 nan 8.290 nan 0.000 0.505 1056 E N -0.531 119.740 120.200 0.119 0.000 2.995 1056 E HA 0.157 4.507 4.350 0.000 0.000 0.203 1056 E C 1.885 178.500 176.600 0.024 0.000 0.980 1056 E CA 0.443 56.886 56.400 0.071 0.000 1.172 1056 E CB 0.198 29.920 29.700 0.038 0.000 1.088 1056 E HN 0.534 nan 8.360 nan 0.000 0.463 1057 S N -0.127 115.574 115.700 0.001 0.000 2.383 1057 S HA -0.022 4.448 4.470 0.000 0.000 0.227 1057 S C 0.945 175.509 174.600 -0.060 0.000 1.026 1057 S CA 0.529 58.623 58.200 -0.177 0.000 0.981 1057 S CB 0.192 63.240 63.200 -0.253 0.000 0.818 1057 S HN 0.146 nan 8.310 nan 0.000 0.472 1058 L N 1.401 122.694 121.223 0.117 0.000 2.333 1058 L HA 0.571 4.911 4.340 0.000 0.000 0.263 1058 L C -0.177 176.761 176.870 0.113 0.000 1.014 1058 L CA -1.442 53.509 54.840 0.185 0.000 0.820 1058 L CB 2.069 44.321 42.059 0.322 0.000 1.352 1058 L HN 0.320 nan 8.230 nan 0.000 0.421 1059 L N 1.255 122.513 121.223 0.058 0.000 2.473 1059 L HA 0.666 5.006 4.340 0.000 0.000 0.268 1059 L C -0.482 176.378 176.870 -0.017 0.000 1.215 1059 L CA -0.445 54.386 54.840 -0.016 0.000 0.823 1059 L CB 0.974 42.985 42.059 -0.080 0.000 1.099 1059 L HN 0.476 nan 8.230 nan 0.000 0.483 1060 V N -0.433 119.462 119.914 -0.031 0.000 3.204 1060 V HA 0.340 4.460 4.120 0.000 0.000 0.298 1060 V C -1.010 175.093 176.094 0.014 0.000 1.328 1060 V CA -0.992 61.338 62.300 0.050 0.000 1.035 1060 V CB 1.143 33.143 31.823 0.294 0.000 1.095 1060 V HN 0.862 nan 8.190 nan 0.000 0.442 1061 Y N 2.978 123.286 120.300 0.013 0.000 2.442 1061 Y HA 0.678 5.228 4.550 0.000 0.000 0.330 1061 Y C 0.324 176.221 175.900 -0.005 0.000 1.129 1061 Y CA -0.198 57.933 58.100 0.053 0.000 1.365 1061 Y CB 0.704 39.390 38.460 0.377 0.000 1.233 1061 Y HN 0.716 nan 8.280 nan 0.000 0.529 1062 R N 8.333 128.188 120.500 -1.076 0.000 2.473 1062 R HA 0.312 4.652 4.340 0.000 0.000 0.303 1062 R C -2.830 172.783 176.300 -1.144 0.000 1.002 1062 R CA -1.937 53.497 56.100 -1.111 0.000 0.884 1062 R CB 1.664 31.083 30.300 -1.468 0.000 1.173 1062 R HN 0.560 nan 8.270 nan 0.000 0.464 1063 P HA 0.180 nan 4.420 nan 0.000 0.272 1063 P C -2.546 174.581 177.300 -0.289 0.000 1.230 1063 P CA -1.436 61.359 63.100 -0.509 0.000 0.788 1063 P CB -0.034 31.540 31.700 -0.210 0.000 0.949 1064 P HA 0.069 nan 4.420 nan 0.000 0.266 1064 P C 0.157 177.421 177.300 -0.059 0.000 1.195 1064 P CA 0.267 63.267 63.100 -0.168 0.000 0.768 1064 P CB 0.063 31.526 31.700 -0.395 0.000 0.838 1065 I N -0.980 119.578 120.570 -0.020 0.000 2.882 1065 I HA 0.328 4.498 4.170 0.000 0.000 0.286 1065 I C 0.266 176.365 176.117 -0.031 0.000 1.139 1065 I CA -0.224 61.013 61.300 -0.105 0.000 1.379 1065 I CB 0.543 38.317 38.000 -0.377 0.000 1.410 1065 I HN 0.122 nan 8.210 nan 0.000 0.594 1066 D N 3.236 123.607 120.400 -0.049 0.000 2.317 1066 D HA 0.115 4.755 4.640 0.000 0.000 0.234 1066 D C 0.991 177.274 176.300 -0.030 0.000 1.112 1066 D CA -0.265 53.728 54.000 -0.012 0.000 0.840 1066 D CB 1.580 42.371 40.800 -0.014 0.000 1.078 1066 D HN 0.775 nan 8.370 nan 0.000 0.486 1067 T N 0.912 115.475 114.554 0.016 0.000 3.113 1067 T HA 0.003 4.353 4.350 0.000 0.000 0.256 1067 T C 0.904 175.625 174.700 0.036 0.000 1.131 1067 T CA -0.157 61.953 62.100 0.016 0.000 1.074 1067 T CB -0.185 68.717 68.868 0.056 0.000 0.944 1067 T HN 0.620 nan 8.240 nan 0.000 0.516 1068 R N 1.010 121.529 120.500 0.032 0.000 3.405 1068 R HA -0.149 4.191 4.340 0.000 0.000 0.258 1068 R C 0.845 177.184 176.300 0.065 0.000 1.030 1068 R CA 0.704 56.827 56.100 0.037 0.000 0.691 1068 R CB -2.656 27.660 30.300 0.027 0.000 1.093 1068 R HN 0.748 nan 8.270 nan 0.000 0.448 1069 S N -2.643 113.105 115.700 0.079 0.000 2.557 1069 S HA 0.225 4.696 4.470 0.000 0.000 0.223 1069 S C 1.175 175.825 174.600 0.083 0.000 0.969 1069 S CA -0.032 58.225 58.200 0.095 0.000 0.927 1069 S CB 1.045 64.305 63.200 0.101 0.000 0.806 1069 S HN 0.143 nan 8.310 nan 0.000 0.489 1070 V N 1.244 121.200 119.914 0.070 0.000 2.854 1070 V HA 0.209 4.329 4.120 0.000 0.000 0.236 1070 V C 2.001 178.129 176.094 0.056 0.000 1.157 1070 V CA 0.705 63.036 62.300 0.052 0.000 1.187 1070 V CB -0.289 31.564 31.823 0.051 0.000 0.949 1070 V HN 0.286 nan 8.190 nan 0.000 0.488 1071 K N 0.491 120.923 120.400 0.052 0.000 2.362 1071 K HA -0.163 4.157 4.320 0.000 0.000 0.202 1071 K C 1.758 178.394 176.600 0.060 0.000 1.045 1071 K CA 1.130 57.447 56.287 0.050 0.000 0.936 1071 K CB 0.009 32.531 32.500 0.037 0.000 0.747 1071 K HN 0.322 nan 8.250 nan 0.000 0.467 1072 E N -0.238 120.005 120.200 0.072 0.000 2.442 1072 E HA -0.051 4.299 4.350 0.000 0.000 0.195 1072 E C 1.657 178.314 176.600 0.095 0.000 1.030 1072 E CA 0.803 57.250 56.400 0.078 0.000 0.869 1072 E CB 0.661 30.412 29.700 0.085 0.000 0.857 1072 E HN 0.310 nan 8.360 nan 0.000 0.505 1073 V N -2.221 117.764 119.914 0.119 0.000 3.562 1073 V HA 0.325 4.445 4.120 0.000 0.000 0.270 1073 V C 1.019 177.239 176.094 0.210 0.000 1.418 1073 V CA -0.412 61.987 62.300 0.164 0.000 1.033 1073 V CB 0.091 32.048 31.823 0.224 0.000 0.820 1073 V HN 0.012 nan 8.190 nan 0.000 0.441 1074 I N 3.203 123.868 120.570 0.158 0.000 2.742 1074 I HA 0.434 4.604 4.170 0.000 0.000 0.287 1074 I C 1.447 177.645 176.117 0.135 0.000 1.186 1074 I CA 1.749 63.138 61.300 0.148 0.000 1.417 1074 I CB 0.333 38.372 38.000 0.065 0.000 1.377 1074 I HN 0.613 nan 8.210 nan 0.000 0.556 1075 G N 5.346 114.244 108.800 0.162 0.000 2.225 1075 G HA2 -0.282 3.678 3.960 0.000 0.000 0.254 1075 G HA3 -0.282 3.678 3.960 0.000 0.000 0.254 1075 G C 0.867 175.817 174.900 0.083 0.000 0.988 1075 G CA 0.272 45.438 45.100 0.109 0.000 0.625 1075 G HN 0.600 nan 8.290 nan 0.000 0.527 1076 Q N 0.050 119.904 119.800 0.090 0.000 2.364 1076 Q HA 0.033 4.373 4.340 0.000 0.000 0.207 1076 Q C 1.190 177.202 176.000 0.018 0.000 0.970 1076 Q CA 1.352 57.186 55.803 0.052 0.000 0.888 1076 Q CB 0.020 28.792 28.738 0.057 0.000 0.951 1076 Q HN 0.709 nan 8.270 nan 0.000 0.469 1077 K N 0.217 120.623 120.400 0.010 0.000 3.350 1077 K HA 0.178 4.498 4.320 0.000 0.000 0.181 1077 K C -0.565 176.020 176.600 -0.025 0.000 1.064 1077 K CA -0.148 56.115 56.287 -0.039 0.000 0.839 1077 K CB 1.183 33.612 32.500 -0.119 0.000 0.819 1077 K HN -0.121 nan 8.250 nan 0.000 0.523 1078 S N 2.032 117.741 115.700 0.016 0.000 2.558 1078 S HA -0.041 4.429 4.470 0.000 0.000 0.291 1078 S C 1.010 175.615 174.600 0.009 0.000 1.306 1078 S CA 0.158 58.376 58.200 0.031 0.000 1.056 1078 S CB 0.287 63.508 63.200 0.036 0.000 0.836 1078 S HN 0.627 nan 8.310 nan 0.000 0.504 1079 N N 3.073 121.784 118.700 0.019 0.000 2.177 1079 N HA 0.212 4.952 4.740 0.000 0.000 0.218 1079 N C 1.034 176.555 175.510 0.019 0.000 1.182 1079 N CA 0.570 53.623 53.050 0.006 0.000 0.882 1079 N CB 0.090 38.578 38.487 0.000 0.000 1.052 1079 N HN 0.962 nan 8.380 nan 0.000 0.519 1080 G N 0.055 108.873 108.800 0.029 0.000 2.232 1080 G HA2 -0.248 3.712 3.960 0.000 0.000 0.226 1080 G HA3 -0.248 3.712 3.960 0.000 0.000 0.226 1080 G C -0.424 174.499 174.900 0.039 0.000 0.996 1080 G CA -0.226 44.892 45.100 0.030 0.000 0.626 1080 G HN 0.438 nan 8.290 nan 0.000 0.509 1081 N N 0.905 119.635 118.700 0.049 0.000 2.487 1081 N HA 0.430 5.170 4.740 0.000 0.000 0.292 1081 N C 0.169 175.718 175.510 0.064 0.000 1.108 1081 N CA -0.397 52.687 53.050 0.056 0.000 0.956 1081 N CB 1.276 39.801 38.487 0.062 0.000 1.176 1081 N HN 0.580 nan 8.380 nan 0.000 0.484 1082 Q N 0.866 120.701 119.800 0.057 0.000 2.349 1082 Q HA -0.018 4.322 4.340 0.000 0.000 0.287 1082 Q C -0.792 175.248 176.000 0.067 0.000 1.044 1082 Q CA 0.591 56.429 55.803 0.057 0.000 0.918 1082 Q CB 0.503 29.270 28.738 0.048 0.000 1.242 1082 Q HN 0.434 nan 8.270 nan 0.000 0.405 1083 E N 3.206 123.446 120.200 0.067 0.000 2.212 1083 E HA 0.464 4.814 4.350 0.000 0.000 0.268 1083 E C -1.244 175.379 176.600 0.038 0.000 0.902 1083 E CA -0.795 55.641 56.400 0.060 0.000 0.779 1083 E CB 2.149 31.901 29.700 0.087 0.000 1.172 1083 E HN 0.384 nan 8.360 nan 0.000 0.409 1084 K N 0.875 121.286 120.400 0.017 0.000 2.527 1084 K HA 0.615 4.935 4.320 0.000 0.000 0.260 1084 K C -1.717 174.897 176.600 0.023 0.000 0.937 1084 K CA -0.693 55.615 56.287 0.035 0.000 0.826 1084 K CB 1.937 34.467 32.500 0.050 0.000 1.359 1084 K HN 0.569 nan 8.250 nan 0.000 0.434 1085 A N 4.443 127.309 122.820 0.077 0.000 2.328 1085 A HA 0.622 4.942 4.320 0.000 0.000 0.284 1085 A C -0.925 176.754 177.584 0.159 0.000 1.160 1085 A CA -0.474 51.637 52.037 0.122 0.000 0.818 1085 A CB 0.027 19.142 19.000 0.192 0.000 1.087 1085 A HN 0.615 nan 8.150 nan 0.000 0.504 1086 L N 1.869 123.138 121.223 0.076 0.000 2.393 1086 L HA 0.403 4.743 4.340 0.000 0.000 0.260 1086 L C 0.261 176.811 176.870 -0.532 0.000 1.002 1086 L CA -0.726 54.065 54.840 -0.081 0.000 0.818 1086 L CB 2.170 44.208 42.059 -0.036 0.000 1.369 1086 L HN 0.869 nan 8.230 nan 0.000 0.412 1087 N N 0.902 119.072 118.700 -0.884 0.000 2.475 1087 N HA 0.130 4.870 4.740 0.000 0.000 0.267 1087 N C -1.286 173.970 175.510 -0.423 0.000 1.169 1087 N CA -0.346 51.957 53.050 -1.245 0.000 0.947 1087 N CB 0.634 38.688 38.487 -0.721 0.000 1.061 1087 N HN 0.357 nan 8.380 nan 0.000 0.466 1088 F N 6.330 125.995 119.950 -0.475 0.000 2.334 1088 F HA 0.355 4.882 4.527 0.000 0.000 0.365 1088 F C -0.807 174.868 175.800 -0.208 0.000 1.124 1088 F CA -0.675 57.176 58.000 -0.248 0.000 1.166 1088 F CB 0.182 39.078 39.000 -0.173 0.000 1.355 1088 F HN 0.301 nan 8.300 nan 0.000 0.532 1089 L N 4.704 125.626 121.223 -0.502 0.000 2.322 1089 L HA 0.466 4.806 4.340 0.000 0.000 0.279 1089 L C 0.325 176.827 176.870 -0.613 0.000 1.036 1089 L CA -0.653 53.908 54.840 -0.466 0.000 0.807 1089 L CB 1.863 43.752 42.059 -0.284 0.000 1.226 1089 L HN 0.563 nan 8.230 nan 0.000 0.433 1090 T N -1.078 113.221 114.554 -0.425 0.000 3.532 1090 T HA 0.324 4.674 4.350 0.000 0.000 0.241 1090 T C -2.342 172.296 174.700 -0.104 0.000 1.238 1090 T CA -1.568 60.353 62.100 -0.298 0.000 1.405 1090 T CB 0.201 69.013 68.868 -0.093 0.000 0.971 1090 T HN 0.259 nan 8.240 nan 0.000 0.640 1091 P HA 0.110 nan 4.420 nan 0.000 0.270 1091 P C -0.185 177.294 177.300 0.299 0.000 1.223 1091 P CA -0.246 62.865 63.100 0.017 0.000 0.785 1091 P CB 0.561 32.217 31.700 -0.074 0.000 0.923 1092 H N 0.089 119.231 119.070 0.120 0.000 2.848 1092 H HA 0.036 4.592 4.556 0.000 0.000 0.341 1092 H C 1.026 176.445 175.328 0.152 0.000 1.060 1092 H CA -0.488 55.669 56.048 0.182 0.000 1.444 1092 H CB 0.645 30.480 29.762 0.121 0.000 1.446 1092 H HN 0.482 nan 8.280 nan 0.000 0.583 1093 Q N 2.752 122.651 119.800 0.166 0.000 2.535 1093 Q HA 0.011 4.351 4.340 0.000 0.000 0.228 1093 Q C 0.676 176.506 176.000 -0.284 0.000 1.062 1093 Q CA -0.329 55.441 55.803 -0.056 0.000 0.967 1093 Q CB 1.071 29.805 28.738 -0.006 0.000 1.273 1093 Q HN 0.671 nan 8.270 nan 0.000 0.554 1094 K N 0.542 120.590 120.400 -0.587 0.000 2.276 1094 K HA 0.051 4.371 4.320 0.000 0.000 0.198 1094 K C 0.103 176.167 176.600 -0.894 0.000 1.052 1094 K CA 0.105 55.855 56.287 -0.896 0.000 0.984 1094 K CB 0.328 31.993 32.500 -1.392 0.000 0.836 1094 K HN 0.754 nan 8.250 nan 0.000 0.490 1095 W N 1.457 122.710 121.300 -0.079 0.000 2.960 1095 W HA 0.385 5.045 4.660 0.000 0.000 0.442 1095 W C 0.277 176.774 176.519 -0.037 0.000 0.774 1095 W CA -0.548 56.759 57.345 -0.062 0.000 2.207 1095 W CB 0.653 30.087 29.460 -0.044 0.000 1.159 1095 W HN 0.183 nan 8.180 nan 0.000 0.845 1096 G N 0.276 109.094 108.800 0.030 0.000 2.320 1096 G HA2 0.296 4.256 3.960 0.000 0.000 0.297 1096 G HA3 0.296 4.256 3.960 0.000 0.000 0.297 1096 G C -1.959 172.958 174.900 0.028 0.000 1.344 1096 G CA -1.095 44.066 45.100 0.102 0.000 0.851 1096 G HN -0.113 nan 8.290 nan 0.000 0.567 1097 I N 2.188 122.852 120.570 0.157 0.000 2.448 1097 I HA 0.440 4.610 4.170 0.000 0.000 0.281 1097 I C 0.794 176.817 176.117 -0.155 0.000 1.027 1097 I CA -0.181 61.078 61.300 -0.069 0.000 1.111 1097 I CB 0.120 38.182 38.000 0.104 0.000 1.236 1097 I HN 0.827 nan 8.210 nan 0.000 0.452 1098 H N 3.557 122.610 119.070 -0.030 0.000 1.452 1098 H HA -0.254 4.302 4.556 0.000 0.000 0.090 1098 H C 1.525 176.728 175.328 -0.209 0.000 0.642 1098 H CA 1.390 57.278 56.048 -0.267 0.000 1.901 1098 H CB -1.148 28.581 29.762 -0.054 0.000 2.257 1098 H HN 0.584 nan 8.280 nan 0.000 0.961 1099 S N 0.535 116.263 115.700 0.046 0.000 2.524 1099 S HA 0.110 4.580 4.470 0.000 0.000 0.216 1099 S C 0.665 175.345 174.600 0.134 0.000 0.987 1099 S CA 0.703 58.926 58.200 0.038 0.000 0.909 1099 S CB 0.124 63.343 63.200 0.030 0.000 0.781 1099 S HN 0.528 nan 8.310 nan 0.000 0.521 1100 T N 2.422 117.092 114.554 0.193 0.000 2.940 1100 T HA 0.231 4.581 4.350 0.000 0.000 0.309 1100 T C -0.132 174.781 174.700 0.354 0.000 1.056 1100 T CA 0.602 62.811 62.100 0.181 0.000 1.137 1100 T CB -0.268 68.716 68.868 0.193 0.000 0.976 1100 T HN 0.514 nan 8.240 nan 0.000 0.547 1101 Y N -0.283 120.259 120.300 0.404 0.000 4.894 1101 Y HA -0.318 4.232 4.550 0.000 0.000 0.270 1101 Y C 2.165 178.160 175.900 0.159 0.000 0.930 1101 Y CA 0.812 59.117 58.100 0.342 0.000 1.814 1101 Y CB -2.336 36.275 38.460 0.253 0.000 1.235 1101 Y HN 0.763 nan 8.280 nan 0.000 0.480 1102 S N 0.546 116.412 115.700 0.276 0.000 2.447 1102 S HA -0.142 4.328 4.470 0.000 0.000 0.233 1102 S C 1.380 176.043 174.600 0.104 0.000 1.006 1102 S CA 1.337 59.634 58.200 0.161 0.000 0.957 1102 S CB -0.140 63.130 63.200 0.116 0.000 0.773 1102 S HN 0.647 nan 8.310 nan 0.000 0.507 1103 D N 0.293 120.773 120.400 0.132 0.000 2.369 1103 D HA 0.028 4.668 4.640 0.000 0.000 0.211 1103 D C 0.212 176.402 176.300 -0.183 0.000 1.077 1103 D CA -0.300 53.747 54.000 0.078 0.000 0.842 1103 D CB -0.815 40.111 40.800 0.209 0.000 0.947 1103 D HN 0.313 nan 8.370 nan 0.000 0.509 1104 N N 1.745 120.244 118.700 -0.334 0.000 2.416 1104 N HA -0.052 4.688 4.740 0.000 0.000 0.265 1104 N C 1.196 176.128 175.510 -0.963 0.000 1.195 1104 N CA -0.256 52.185 53.050 -1.014 0.000 0.943 1104 N CB 0.989 39.185 38.487 -0.485 0.000 1.115 1104 N HN 0.029 nan 8.380 nan 0.000 0.481 1105 L N 5.501 125.863 121.223 -1.435 0.000 2.137 1105 L HA -0.189 4.151 4.340 0.000 0.000 0.213 1105 L C 1.850 178.418 176.870 -0.502 0.000 1.085 1105 L CA 1.686 56.087 54.840 -0.732 0.000 0.760 1105 L CB -0.384 41.372 42.059 -0.505 0.000 0.893 1105 L HN 0.663 nan 8.230 nan 0.000 0.434 1106 L N -2.022 118.861 121.223 -0.566 0.000 1.994 1106 L HA -0.239 4.101 4.340 0.000 0.000 0.208 1106 L C 2.500 179.232 176.870 -0.230 0.000 1.071 1106 L CA 1.280 55.943 54.840 -0.294 0.000 0.745 1106 L CB -0.540 41.397 42.059 -0.202 0.000 0.892 1106 L HN 0.259 nan 8.230 nan 0.000 0.431 1107 M N -0.631 118.852 119.600 -0.194 0.000 2.117 1107 M HA -0.203 4.277 4.480 0.000 0.000 0.262 1107 M C 2.378 178.577 176.300 -0.168 0.000 1.065 1107 M CA 1.776 57.038 55.300 -0.063 0.000 1.114 1107 M CB -1.059 31.583 32.600 0.070 0.000 1.361 1107 M HN 0.244 nan 8.290 nan 0.000 0.408 1108 L N -0.661 120.446 121.223 -0.195 0.000 2.131 1108 L HA -0.194 4.146 4.340 0.000 0.000 0.210 1108 L C 2.231 178.955 176.870 -0.243 0.000 1.092 1108 L CA 1.164 55.893 54.840 -0.185 0.000 0.759 1108 L CB -0.771 41.195 42.059 -0.155 0.000 0.903 1108 L HN 0.318 nan 8.230 nan 0.000 0.435 1109 T N -0.512 113.887 114.554 -0.257 0.000 2.985 1109 T HA -0.056 4.294 4.350 0.000 0.000 0.266 1109 T C 1.692 176.187 174.700 -0.342 0.000 1.076 1109 T CA 0.652 62.606 62.100 -0.244 0.000 1.135 1109 T CB 0.068 68.823 68.868 -0.188 0.000 0.890 1109 T HN 0.031 nan 8.240 nan 0.000 0.480 1110 L N 0.514 121.440 121.223 -0.495 0.000 2.375 1110 L HA 0.353 4.693 4.340 0.000 0.000 0.215 1110 L C 1.791 177.865 176.870 -1.326 0.000 1.108 1110 L CA 0.501 54.864 54.840 -0.796 0.000 0.830 1110 L CB -0.951 40.603 42.059 -0.840 0.000 0.959 1110 L HN 0.253 nan 8.230 nan 0.000 0.457 1111 G N -1.445 106.648 108.800 -1.179 0.000 2.975 1111 G HA2 0.121 4.081 3.960 0.000 0.000 0.159 1111 G HA3 0.121 4.081 3.960 0.000 0.000 0.159 1111 G C 0.547 175.187 174.900 -0.432 0.000 1.525 1111 G CA -0.383 44.072 45.100 -1.076 0.000 1.075 1111 G HN -0.024 nan 8.290 nan 0.000 0.574 1112 R N 0.133 120.506 120.500 -0.210 0.000 2.633 1112 R HA 0.253 4.593 4.340 0.000 0.000 0.348 1112 R C 1.189 177.416 176.300 -0.123 0.000 1.100 1112 R CA 0.245 56.253 56.100 -0.154 0.000 1.068 1112 R CB 0.141 30.366 30.300 -0.124 0.000 1.351 1112 R HN 0.972 nan 8.270 nan 0.000 0.575 1113 G N 0.275 108.999 108.800 -0.126 0.000 2.153 1113 G HA2 -0.263 3.697 3.960 0.000 0.000 0.252 1113 G HA3 -0.263 3.697 3.960 0.000 0.000 0.252 1113 G C 0.384 175.278 174.900 -0.010 0.000 0.994 1113 G CA 0.418 45.472 45.100 -0.076 0.000 0.698 1113 G HN 0.794 nan 8.290 nan 0.000 0.521 1114 G N -1.933 106.873 108.800 0.010 0.000 2.369 1114 G HA2 0.497 4.457 3.960 0.000 0.000 0.293 1114 G HA3 0.497 4.457 3.960 0.000 0.000 0.293 1114 G C -3.075 171.877 174.900 0.087 0.000 1.301 1114 G CA -0.088 45.056 45.100 0.074 0.000 0.913 1114 G HN 0.511 nan 8.290 nan 0.000 0.540 1115 P HA 0.328 nan 4.420 nan 0.000 0.258 1115 P C 0.216 177.583 177.300 0.111 0.000 1.172 1115 P CA 0.406 63.589 63.100 0.138 0.000 0.762 1115 P CB 0.640 32.445 31.700 0.174 0.000 0.764 1116 V N 1.714 121.697 119.914 0.116 0.000 3.130 1116 V HA 0.777 4.897 4.120 0.000 0.000 0.310 1116 V C -0.748 175.434 176.094 0.146 0.000 1.158 1116 V CA -1.009 61.331 62.300 0.066 0.000 1.029 1116 V CB 2.530 34.345 31.823 -0.014 0.000 1.057 1116 V HN 0.122 nan 8.190 nan 0.000 0.436 1117 V N 0.514 120.484 119.914 0.094 0.000 2.760 1117 V HA 0.493 4.613 4.120 0.000 0.000 0.309 1117 V C -1.377 174.800 176.094 0.138 0.000 1.077 1117 V CA -0.352 62.060 62.300 0.186 0.000 0.910 1117 V CB 2.023 33.957 31.823 0.185 0.000 1.008 1117 V HN 0.966 nan 8.190 nan 0.000 0.424 1118 W N 4.925 126.263 121.300 0.063 0.000 2.365 1118 W HA 0.793 5.453 4.660 0.000 0.000 0.316 1118 W C -0.350 176.191 176.519 0.037 0.000 1.164 1118 W CA -0.337 57.049 57.345 0.067 0.000 1.204 1118 W CB 0.925 30.450 29.460 0.108 0.000 1.213 1118 W HN 0.312 nan 8.180 nan 0.000 0.539 1119 L N 2.711 124.076 121.223 0.237 0.000 2.393 1119 L HA 0.482 4.822 4.340 0.000 0.000 0.260 1119 L C 0.409 177.372 176.870 0.156 0.000 1.002 1119 L CA -1.282 53.652 54.840 0.156 0.000 0.818 1119 L CB 1.915 44.030 42.059 0.093 0.000 1.369 1119 L HN 0.440 nan 8.230 nan 0.000 0.412 1120 S N -0.546 115.231 115.700 0.128 0.000 2.584 1120 S HA 0.137 4.607 4.470 0.000 0.000 0.270 1120 S C 0.706 175.360 174.600 0.091 0.000 1.346 1120 S CA -0.367 57.905 58.200 0.120 0.000 1.018 1120 S CB 1.175 64.436 63.200 0.102 0.000 0.899 1120 S HN 0.755 nan 8.310 nan 0.000 0.542 1121 E N 1.251 121.500 120.200 0.083 0.000 2.077 1121 E HA -0.145 4.205 4.350 0.000 0.000 0.193 1121 E C 2.377 179.008 176.600 0.051 0.000 0.989 1121 E CA 1.263 57.698 56.400 0.058 0.000 0.800 1121 E CB -0.473 29.259 29.700 0.053 0.000 0.746 1121 E HN 0.831 nan 8.360 nan 0.000 0.452 1122 A N 1.659 124.512 122.820 0.056 0.000 1.877 1122 A HA -0.236 4.084 4.320 0.000 0.000 0.216 1122 A C 1.797 179.411 177.584 0.049 0.000 1.186 1122 A CA 1.833 53.900 52.037 0.049 0.000 0.620 1122 A CB -0.412 18.619 19.000 0.051 0.000 0.822 1122 A HN 0.127 nan 8.150 nan 0.000 0.443 1123 D N -0.129 120.305 120.400 0.056 0.000 2.144 1123 D HA -0.028 4.612 4.640 0.000 0.000 0.200 1123 D C 2.258 178.588 176.300 0.050 0.000 0.978 1123 D CA 1.445 55.478 54.000 0.056 0.000 0.833 1123 D CB -0.366 40.471 40.800 0.062 0.000 0.961 1123 D HN 0.420 nan 8.370 nan 0.000 0.470 1124 A N 1.099 123.948 122.820 0.048 0.000 1.898 1124 A HA -0.179 4.141 4.320 0.000 0.000 0.216 1124 A C 2.098 179.702 177.584 0.033 0.000 1.181 1124 A CA 1.330 53.390 52.037 0.038 0.000 0.620 1124 A CB -0.338 18.680 19.000 0.029 0.000 0.819 1124 A HN 0.107 nan 8.150 nan 0.000 0.442 1125 K N -0.668 119.751 120.400 0.033 0.000 2.097 1125 K HA -0.171 4.149 4.320 0.000 0.000 0.206 1125 K C 1.757 178.375 176.600 0.031 0.000 1.049 1125 K CA 1.368 57.673 56.287 0.029 0.000 0.933 1125 K CB -0.153 32.363 32.500 0.028 0.000 0.717 1125 K HN 0.517 nan 8.250 nan 0.000 0.442 1126 D N 0.885 121.307 120.400 0.036 0.000 2.144 1126 D HA -0.121 4.519 4.640 0.000 0.000 0.200 1126 D C 1.459 177.782 176.300 0.038 0.000 0.978 1126 D CA 1.024 55.045 54.000 0.036 0.000 0.833 1126 D CB 0.096 40.920 40.800 0.040 0.000 0.961 1126 D HN 0.101 nan 8.370 nan 0.000 0.470 1127 L N -0.953 120.295 121.223 0.041 0.000 2.591 1127 L HA 0.266 4.606 4.340 0.000 0.000 0.228 1127 L C 1.558 178.453 176.870 0.042 0.000 1.133 1127 L CA 0.404 55.270 54.840 0.044 0.000 0.880 1127 L CB -0.066 42.022 42.059 0.048 0.000 1.033 1127 L HN 0.251 nan 8.230 nan 0.000 0.450 1128 G N 1.104 109.926 108.800 0.036 0.000 2.160 1128 G HA2 -0.286 3.674 3.960 0.000 0.000 0.251 1128 G HA3 -0.286 3.674 3.960 0.000 0.000 0.251 1128 G C 0.157 175.075 174.900 0.031 0.000 1.008 1128 G CA -0.138 44.981 45.100 0.032 0.000 0.724 1128 G HN 0.308 nan 8.290 nan 0.000 0.514 1129 I N 1.185 121.772 120.570 0.029 0.000 2.342 1129 I HA 0.561 4.731 4.170 0.000 0.000 0.291 1129 I C 0.856 176.976 176.117 0.006 0.000 1.010 1129 I CA -0.192 61.122 61.300 0.022 0.000 1.308 1129 I CB 1.462 39.478 38.000 0.027 0.000 1.400 1129 I HN 0.298 nan 8.210 nan 0.000 0.488 1130 A N 4.589 127.405 122.820 -0.006 0.000 2.281 1130 A HA 0.347 4.667 4.320 0.000 0.000 0.329 1130 A C -0.514 177.039 177.584 -0.052 0.000 1.122 1130 A CA -0.605 51.419 52.037 -0.022 0.000 0.850 1130 A CB 0.755 19.744 19.000 -0.018 0.000 1.207 1130 A HN 0.690 nan 8.150 nan 0.000 0.495 1131 D N 0.146 120.506 120.400 -0.066 0.000 2.487 1131 D HA 0.120 4.760 4.640 0.000 0.000 0.243 1131 D C 0.704 176.924 176.300 -0.134 0.000 1.154 1131 D CA 1.683 55.619 54.000 -0.107 0.000 0.876 1131 D CB 0.032 40.769 40.800 -0.104 0.000 1.161 1131 D HN 0.644 nan 8.370 nan 0.000 0.478 1132 N N 1.733 120.322 118.700 -0.184 0.000 2.925 1132 N HA -0.187 4.553 4.740 0.000 0.000 0.244 1132 N C -1.197 174.140 175.510 -0.288 0.000 1.000 1132 N CA 0.770 53.672 53.050 -0.246 0.000 0.895 1132 N CB -0.809 37.547 38.487 -0.217 0.000 1.119 1132 N HN 0.430 nan 8.380 nan 0.000 0.569 1133 D N -0.415 119.871 120.400 -0.189 0.000 2.362 1133 D HA 0.156 4.796 4.640 0.000 0.000 0.242 1133 D C 0.191 176.396 176.300 -0.157 0.000 1.132 1133 D CA 0.131 54.052 54.000 -0.131 0.000 0.907 1133 D CB 0.184 40.970 40.800 -0.023 0.000 1.195 1133 D HN 0.162 nan 8.370 nan 0.000 0.429 1134 W N 2.170 123.480 121.300 0.016 0.000 2.304 1134 W HA 0.272 4.932 4.660 0.000 0.000 0.313 1134 W C 0.672 177.198 176.519 0.012 0.000 1.323 1134 W CA -0.481 56.870 57.345 0.009 0.000 1.223 1134 W CB 0.194 29.650 29.460 -0.007 0.000 1.237 1134 W HN 0.179 nan 8.180 nan 0.000 0.535 1135 I N -0.338 120.398 120.570 0.276 0.000 3.108 1135 I HA 0.694 4.864 4.170 0.000 0.000 0.312 1135 I C -1.051 175.185 176.117 0.197 0.000 1.095 1135 I CA -1.384 60.029 61.300 0.189 0.000 1.000 1135 I CB 2.472 40.548 38.000 0.127 0.000 1.229 1135 I HN 0.300 nan 8.210 nan 0.000 0.454 1136 E N 2.276 122.584 120.200 0.180 0.000 2.246 1136 E HA 0.623 4.973 4.350 0.000 0.000 0.266 1136 E C -1.901 174.847 176.600 0.246 0.000 0.880 1136 E CA -0.723 55.800 56.400 0.205 0.000 0.762 1136 E CB 2.480 32.292 29.700 0.188 0.000 1.180 1136 E HN 0.569 nan 8.360 nan 0.000 0.416 1137 V N 5.817 125.849 119.914 0.197 0.000 2.448 1137 V HA 0.663 4.783 4.120 0.000 0.000 0.295 1137 V C -0.730 175.422 176.094 0.097 0.000 1.025 1137 V CA -0.532 61.797 62.300 0.048 0.000 0.859 1137 V CB 0.530 32.344 31.823 -0.015 0.000 0.988 1137 V HN 0.619 nan 8.190 nan 0.000 0.431 1138 F N 3.227 123.117 119.950 -0.100 0.000 2.741 1138 F HA 0.897 5.424 4.527 0.000 0.000 0.311 1138 F C -0.859 174.900 175.800 -0.069 0.000 1.149 1138 F CA -0.855 57.087 58.000 -0.095 0.000 0.930 1138 F CB 1.645 40.613 39.000 -0.054 0.000 1.312 1138 F HN 0.539 nan 8.300 nan 0.000 0.450 1139 N N -1.260 117.519 118.700 0.131 0.000 3.526 1139 N HA 0.309 5.049 4.740 0.000 0.000 0.328 1139 N C -0.296 175.307 175.510 0.155 0.000 1.601 1139 N CA -0.264 52.836 53.050 0.083 0.000 0.834 1139 N CB 0.405 38.887 38.487 -0.009 0.000 1.983 1139 N HN 0.422 nan 8.380 nan 0.000 0.579 1140 S N -0.369 115.409 115.700 0.130 0.000 2.400 1140 S HA -0.093 4.377 4.470 0.000 0.000 0.232 1140 S C 1.024 175.697 174.600 0.121 0.000 1.025 1140 S CA 1.225 59.512 58.200 0.145 0.000 0.993 1140 S CB -0.691 62.611 63.200 0.169 0.000 0.808 1140 S HN 0.549 nan 8.310 nan 0.000 0.478 1141 N N 0.796 119.568 118.700 0.119 0.000 2.409 1141 N HA 0.169 4.909 4.740 0.000 0.000 0.179 1141 N C 0.957 176.411 175.510 -0.093 0.000 1.032 1141 N CA 0.871 53.970 53.050 0.082 0.000 0.898 1141 N CB 0.181 38.811 38.487 0.239 0.000 0.971 1141 N HN 0.493 nan 8.380 nan 0.000 0.441 1142 G N -1.025 107.765 108.800 -0.016 0.000 2.350 1142 G HA2 0.492 4.452 3.960 0.000 0.000 0.276 1142 G HA3 0.492 4.452 3.960 0.000 0.000 0.276 1142 G C -2.055 172.871 174.900 0.045 0.000 1.313 1142 G CA -0.183 44.902 45.100 -0.025 0.000 0.903 1142 G HN 0.346 nan 8.290 nan 0.000 0.490 1143 A N -1.008 121.830 122.820 0.030 0.000 2.556 1143 A HA 1.025 5.345 4.320 0.000 0.000 0.294 1143 A C -0.972 176.638 177.584 0.042 0.000 1.091 1143 A CA 0.065 52.144 52.037 0.070 0.000 0.704 1143 A CB 1.722 20.740 19.000 0.029 0.000 1.300 1143 A HN 2.384 nan 8.150 nan 0.000 0.406 1144 L N -1.213 120.049 121.223 0.065 0.000 2.376 1144 L HA 1.008 5.348 4.340 0.000 0.000 0.258 1144 L C -0.219 176.707 176.870 0.092 0.000 1.013 1144 L CA -0.367 54.515 54.840 0.071 0.000 0.822 1144 L CB 1.954 44.069 42.059 0.094 0.000 1.388 1144 L HN 0.846 nan 8.230 nan 0.000 0.413 1145 T N -1.016 113.595 114.554 0.094 0.000 2.908 1145 T HA 1.025 5.375 4.350 0.000 0.000 0.290 1145 T C -0.266 174.577 174.700 0.238 0.000 1.034 1145 T CA -0.097 62.080 62.100 0.129 0.000 1.010 1145 T CB 1.733 70.603 68.868 0.003 0.000 1.068 1145 T HN 1.668 nan 8.240 nan 0.000 0.481 1146 A N 1.422 124.454 122.820 0.353 0.000 2.438 1146 A HA 0.767 5.087 4.320 0.000 0.000 0.301 1146 A C -1.375 176.321 177.584 0.187 0.000 1.101 1146 A CA -1.203 51.029 52.037 0.326 0.000 0.621 1146 A CB 0.923 20.043 19.000 0.201 0.000 1.350 1146 A HN 0.864 nan 8.150 nan 0.000 0.496 1147 R N -0.410 120.026 120.500 -0.106 0.000 2.664 1147 R HA 0.708 5.048 4.340 0.000 0.000 0.286 1147 R C -0.080 176.112 176.300 -0.180 0.000 0.967 1147 R CA -0.127 55.770 56.100 -0.339 0.000 0.933 1147 R CB 2.049 31.973 30.300 -0.627 0.000 1.146 1147 R HN 1.062 nan 8.270 nan 0.000 0.468 1148 A N 1.872 124.585 122.820 -0.178 0.000 2.304 1148 A HA 0.495 4.815 4.320 0.000 0.000 0.301 1148 A C -0.547 176.889 177.584 -0.246 0.000 1.132 1148 A CA -0.511 51.439 52.037 -0.146 0.000 0.819 1148 A CB 1.019 19.971 19.000 -0.079 0.000 1.094 1148 A HN 0.427 nan 8.150 nan 0.000 0.492 1149 V N 3.318 123.029 119.914 -0.338 0.000 2.326 1149 V HA 0.274 4.394 4.120 0.000 0.000 0.281 1149 V C -0.250 175.639 176.094 -0.342 0.000 1.015 1149 V CA -0.493 61.468 62.300 -0.565 0.000 0.823 1149 V CB 1.149 32.163 31.823 -1.348 0.000 1.009 1149 V HN 0.624 nan 8.190 nan 0.000 0.436 1150 V N 4.285 124.081 119.914 -0.198 0.000 2.465 1150 V HA 0.658 4.778 4.120 0.000 0.000 0.279 1150 V C 0.342 176.434 176.094 -0.004 0.000 1.045 1150 V CA 0.292 62.559 62.300 -0.054 0.000 0.938 1150 V CB 1.562 33.365 31.823 -0.034 0.000 0.986 1150 V HN 0.900 nan 8.190 nan 0.000 0.467 1151 S N 2.603 118.374 115.700 0.118 0.000 2.579 1151 S HA 0.323 4.793 4.470 0.000 0.000 0.272 1151 S C 0.293 174.999 174.600 0.177 0.000 1.141 1151 S CA -0.475 57.841 58.200 0.193 0.000 0.843 1151 S CB 2.220 65.683 63.200 0.438 0.000 1.122 1151 S HN 0.795 nan 8.310 nan 0.000 0.468 1152 Q N 1.511 121.398 119.800 0.145 0.000 2.269 1152 Q HA 0.020 4.360 4.340 0.000 0.000 0.201 1152 Q C 1.786 177.868 176.000 0.136 0.000 0.946 1152 Q CA 0.847 56.718 55.803 0.113 0.000 0.877 1152 Q CB -0.079 28.700 28.738 0.069 0.000 0.963 1152 Q HN 0.742 nan 8.270 nan 0.000 0.472 1153 R N -0.589 120.008 120.500 0.161 0.000 2.307 1153 R HA 0.099 4.439 4.340 0.000 0.000 0.199 1153 R C -0.133 176.276 176.300 0.182 0.000 1.000 1153 R CA 0.122 56.322 56.100 0.166 0.000 1.023 1153 R CB 0.021 30.412 30.300 0.151 0.000 0.908 1153 R HN -0.061 nan 8.270 nan 0.000 0.473 1154 V N 4.571 124.600 119.914 0.192 0.000 2.364 1154 V HA 0.261 4.381 4.120 0.000 0.000 0.272 1154 V C -1.939 174.246 176.094 0.152 0.000 1.036 1154 V CA -2.275 60.127 62.300 0.171 0.000 0.880 1154 V CB 1.261 33.211 31.823 0.210 0.000 0.991 1154 V HN 0.182 nan 8.190 nan 0.000 0.460 1155 P HA 0.198 nan 4.420 nan 0.000 0.271 1155 P C -0.162 177.196 177.300 0.097 0.000 1.216 1155 P CA -0.065 63.111 63.100 0.128 0.000 0.776 1155 P CB 0.953 32.733 31.700 0.134 0.000 0.881 1156 A N 2.417 125.288 122.820 0.084 0.000 2.520 1156 A HA 0.395 4.715 4.320 0.000 0.000 0.235 1156 A C 1.532 179.152 177.584 0.061 0.000 1.065 1156 A CA 0.943 53.022 52.037 0.070 0.000 0.764 1156 A CB -1.320 17.717 19.000 0.062 0.000 1.002 1156 A HN 0.896 nan 8.150 nan 0.000 0.502 1157 G N 0.125 108.960 108.800 0.058 0.000 2.234 1157 G HA2 -0.180 3.780 3.960 0.000 0.000 0.235 1157 G HA3 -0.180 3.780 3.960 0.000 0.000 0.235 1157 G C 0.185 175.084 174.900 -0.002 0.000 0.997 1157 G CA 0.767 45.898 45.100 0.051 0.000 0.623 1157 G HN 1.998 nan 8.290 nan 0.000 0.514 1158 M N -0.465 119.140 119.600 0.008 0.000 2.644 1158 M HA 0.865 5.345 4.480 0.000 0.000 0.304 1158 M C -0.635 175.664 176.300 -0.001 0.000 1.215 1158 M CA -0.412 54.870 55.300 -0.029 0.000 0.871 1158 M CB 2.452 35.053 32.600 0.002 0.000 1.740 1158 M HN 0.289 nan 8.290 nan 0.000 0.464 1159 T N 1.815 116.350 114.554 -0.033 0.000 2.903 1159 T HA 0.759 5.109 4.350 0.000 0.000 0.299 1159 T C -1.497 173.138 174.700 -0.109 0.000 1.093 1159 T CA -0.785 61.321 62.100 0.010 0.000 1.002 1159 T CB 1.566 70.482 68.868 0.080 0.000 1.127 1159 T HN 0.833 nan 8.240 nan 0.000 0.488 1160 M N 4.007 123.547 119.600 -0.099 0.000 2.204 1160 M HA 0.443 4.923 4.480 0.000 0.000 0.293 1160 M C -0.890 175.260 176.300 -0.250 0.000 0.994 1160 M CA -0.534 54.559 55.300 -0.345 0.000 0.925 1160 M CB 2.305 34.568 32.600 -0.562 0.000 1.577 1160 M HN 0.542 nan 8.290 nan 0.000 0.439 1161 M N 3.713 123.087 119.600 -0.378 0.000 2.060 1161 M HA 0.418 4.898 4.480 0.000 0.000 0.342 1161 M C -1.491 174.706 176.300 -0.171 0.000 1.031 1161 M CA -0.621 54.615 55.300 -0.107 0.000 0.981 1161 M CB 0.620 33.230 32.600 0.017 0.000 1.376 1161 M HN 0.550 nan 8.290 nan 0.000 0.397 1162 Y N 3.049 123.358 120.300 0.015 0.000 2.881 1162 Y HA -0.108 4.442 4.550 0.000 0.000 0.335 1162 Y C 0.740 176.601 175.900 -0.065 0.000 1.263 1162 Y CA 0.806 58.892 58.100 -0.023 0.000 1.572 1162 Y CB -0.276 38.178 38.460 -0.010 0.000 1.237 1162 Y HN 0.533 nan 8.280 nan 0.000 0.568 1163 H N 4.052 123.088 119.070 -0.056 0.000 3.214 1163 H HA 0.180 4.736 4.556 0.000 0.000 0.291 1163 H C 0.252 175.413 175.328 -0.277 0.000 0.926 1163 H CA 0.070 55.980 56.048 -0.229 0.000 1.409 1163 H CB -0.172 29.424 29.762 -0.276 0.000 1.406 1163 H HN 0.882 nan 8.280 nan 0.000 0.561 1164 A N 4.785 127.018 122.820 -0.978 0.000 1.758 1164 A HA -0.182 4.138 4.320 0.000 0.000 0.226 1164 A C 0.619 178.013 177.584 -0.317 0.000 1.327 1164 A CA 1.018 52.618 52.037 -0.729 0.000 0.681 1164 A CB -1.667 16.840 19.000 -0.821 0.000 1.173 1164 A HN 0.938 nan 8.150 nan 0.000 0.234 1165 Q N 0.424 120.103 119.800 -0.202 0.000 2.164 1165 Q HA 0.240 4.580 4.340 0.000 0.000 0.226 1165 Q C 0.719 176.726 176.000 0.012 0.000 0.813 1165 Q CA 0.392 56.174 55.803 -0.035 0.000 0.978 1165 Q CB 0.434 29.186 28.738 0.022 0.000 1.149 1165 Q HN 1.223 nan 8.270 nan 0.000 0.489 1166 E N 0.632 120.823 120.200 -0.014 0.000 5.660 1166 E HA -0.335 4.015 4.350 0.000 0.000 0.182 1166 E C -0.059 176.579 176.600 0.064 0.000 1.497 1166 E CA 0.942 57.362 56.400 0.033 0.000 2.554 1166 E CB -0.449 29.282 29.700 0.052 0.000 1.999 1166 E HN 0.196 nan 8.360 nan 0.000 0.440 1167 R N 0.426 120.973 120.500 0.079 0.000 2.586 1167 R HA 0.315 4.655 4.340 0.000 0.000 0.336 1167 R C 1.254 177.645 176.300 0.153 0.000 1.060 1167 R CA 0.609 56.775 56.100 0.110 0.000 1.079 1167 R CB -0.108 30.252 30.300 0.101 0.000 1.317 1167 R HN 0.540 nan 8.270 nan 0.000 0.568 1168 I N -4.139 116.517 120.570 0.145 0.000 4.323 1168 I HA 0.296 4.466 4.170 0.000 0.000 0.328 1168 I C -0.264 175.942 176.117 0.148 0.000 1.310 1168 I CA -0.249 61.141 61.300 0.150 0.000 1.186 1168 I CB 0.962 39.047 38.000 0.142 0.000 1.130 1168 I HN -0.279 nan 8.210 nan 0.000 0.411 1169 V N 2.777 122.780 119.914 0.149 0.000 2.459 1169 V HA 0.346 4.466 4.120 0.000 0.000 0.295 1169 V C 0.127 176.345 176.094 0.206 0.000 1.029 1169 V CA -0.661 61.732 62.300 0.155 0.000 0.874 1169 V CB 1.085 32.981 31.823 0.122 0.000 0.985 1169 V HN 0.470 nan 8.190 nan 0.000 0.438 1170 N N 3.267 122.119 118.700 0.253 0.000 2.686 1170 N HA -0.205 4.535 4.740 0.000 0.000 0.261 1170 N C -1.084 174.716 175.510 0.484 0.000 1.001 1170 N CA 0.745 54.038 53.050 0.405 0.000 0.764 1170 N CB -0.681 38.011 38.487 0.341 0.000 0.898 1170 N HN 0.655 nan 8.380 nan 0.000 0.544 1171 L N 1.274 122.729 121.223 0.386 0.000 2.376 1171 L HA 0.577 4.917 4.340 0.000 0.000 0.275 1171 L C -1.933 174.788 176.870 -0.249 0.000 0.987 1171 L CA -1.464 53.438 54.840 0.104 0.000 0.828 1171 L CB 2.359 44.479 42.059 0.102 0.000 1.249 1171 L HN 0.077 nan 8.230 nan 0.000 0.409 1172 P HA 0.234 nan 4.420 nan 0.000 0.284 1172 P C -0.209 176.695 177.300 -0.659 0.000 1.292 1172 P CA -0.379 61.900 63.100 -1.368 0.000 0.800 1172 P CB 1.028 31.455 31.700 -2.122 0.000 1.188 1173 G N -0.226 108.233 108.800 -0.569 0.000 2.527 1173 G HA2 0.282 4.242 3.960 0.000 0.000 0.248 1173 G HA3 0.282 4.242 3.960 0.000 0.000 0.248 1173 G C -0.032 174.691 174.900 -0.296 0.000 1.231 1173 G CA -0.173 44.735 45.100 -0.320 0.000 0.838 1173 G HN 0.493 nan 8.290 nan 0.000 0.570 1174 S N -0.150 115.431 115.700 -0.198 0.000 2.565 1174 S HA 0.154 4.624 4.470 0.000 0.000 0.274 1174 S C 0.975 175.471 174.600 -0.174 0.000 1.309 1174 S CA -0.412 57.686 58.200 -0.170 0.000 1.043 1174 S CB 1.041 64.162 63.200 -0.132 0.000 0.939 1174 S HN 0.616 nan 8.310 nan 0.000 0.504 1175 E N 3.067 123.163 120.200 -0.173 0.000 2.489 1175 E HA 0.078 4.428 4.350 0.000 0.000 0.193 1175 E C 0.900 177.382 176.600 -0.197 0.000 1.057 1175 E CA 0.138 56.441 56.400 -0.163 0.000 0.866 1175 E CB 0.138 29.758 29.700 -0.134 0.000 0.916 1175 E HN 0.613 nan 8.360 nan 0.000 0.500 1176 I N 0.208 120.631 120.570 -0.246 0.000 3.172 1176 I HA -0.075 4.095 4.170 0.000 0.000 0.278 1176 I C 2.319 178.304 176.117 -0.221 0.000 1.174 1176 I CA 1.225 62.334 61.300 -0.317 0.000 1.445 1176 I CB -0.427 37.261 38.000 -0.521 0.000 1.175 1176 I HN 0.092 nan 8.210 nan 0.000 0.447 1177 T N -2.975 111.472 114.554 -0.178 0.000 3.001 1177 T HA 0.101 4.451 4.350 0.000 0.000 0.251 1177 T C 0.874 175.495 174.700 -0.132 0.000 1.040 1177 T CA -0.012 62.000 62.100 -0.147 0.000 0.985 1177 T CB 0.446 69.237 68.868 -0.128 0.000 1.011 1177 T HN 0.186 nan 8.240 nan 0.000 0.509 1178 Q N 0.171 119.893 119.800 -0.130 0.000 2.460 1178 Q HA -0.165 4.175 4.340 0.000 0.000 0.248 1178 Q C -0.357 175.582 176.000 -0.102 0.000 0.847 1178 Q CA 0.982 56.716 55.803 -0.114 0.000 1.214 1178 Q CB -2.012 26.665 28.738 -0.102 0.000 1.523 1178 Q HN 0.764 nan 8.270 nan 0.000 0.602 1179 Q N -0.438 119.302 119.800 -0.100 0.000 2.572 1179 Q HA 0.611 4.951 4.340 0.000 0.000 0.284 1179 Q C -0.116 175.842 176.000 -0.070 0.000 1.091 1179 Q CA -1.206 54.553 55.803 -0.073 0.000 0.840 1179 Q CB 1.287 29.989 28.738 -0.060 0.000 1.433 1179 Q HN 0.107 nan 8.270 nan 0.000 0.471 1180 R N 0.334 120.815 120.500 -0.031 0.000 2.583 1180 R HA 0.087 4.427 4.340 0.000 0.000 0.274 1180 R C -0.042 176.240 176.300 -0.030 0.000 0.998 1180 R CA 0.670 56.755 56.100 -0.025 0.000 1.081 1180 R CB -0.188 30.141 30.300 0.049 0.000 0.940 1180 R HN 0.720 nan 8.270 nan 0.000 0.413 1181 G N 2.171 110.926 108.800 -0.074 0.000 2.562 1181 G HA2 0.305 4.265 3.960 0.000 0.000 0.233 1181 G HA3 0.305 4.265 3.960 0.000 0.000 0.233 1181 G C 0.166 175.074 174.900 0.014 0.000 1.266 1181 G CA -0.127 44.942 45.100 -0.051 0.000 0.852 1181 G HN 0.774 nan 8.290 nan 0.000 0.581 1182 G N -0.079 108.737 108.800 0.026 0.000 2.531 1182 G HA2 0.617 4.577 3.960 0.000 0.000 0.281 1182 G HA3 0.617 4.577 3.960 0.000 0.000 0.281 1182 G C 0.173 175.096 174.900 0.038 0.000 1.382 1182 G CA -0.326 44.799 45.100 0.042 0.000 1.045 1182 G HN 1.099 nan 8.290 nan 0.000 0.533 1183 I N -3.796 116.769 120.570 -0.008 0.000 3.217 1183 I HA 0.451 4.621 4.170 0.000 0.000 0.308 1183 I C 1.736 177.955 176.117 0.170 0.000 1.091 1183 I CA -0.926 60.412 61.300 0.063 0.000 1.013 1183 I CB 1.618 39.609 38.000 -0.014 0.000 1.250 1183 I HN 0.672 nan 8.210 nan 0.000 0.496 1184 H N 1.022 120.154 119.070 0.105 0.000 2.422 1184 H HA -0.093 4.463 4.556 0.000 0.000 0.298 1184 H C 0.558 176.006 175.328 0.200 0.000 1.098 1184 H CA 1.827 58.030 56.048 0.258 0.000 1.315 1184 H CB -0.878 29.067 29.762 0.305 0.000 1.382 1184 H HN 0.637 nan 8.280 nan 0.000 0.523 1185 N N 0.595 119.119 118.700 -0.293 0.000 2.313 1185 N HA 0.044 4.784 4.740 0.000 0.000 0.207 1185 N C 0.761 176.261 175.510 -0.016 0.000 1.141 1185 N CA 0.239 53.137 53.050 -0.253 0.000 0.830 1185 N CB 0.227 38.520 38.487 -0.322 0.000 1.008 1185 N HN 0.310 nan 8.380 nan 0.000 0.481 1186 S N -0.438 115.264 115.700 0.004 0.000 2.496 1186 S HA -0.016 4.454 4.470 0.000 0.000 0.224 1186 S C 1.755 176.356 174.600 0.002 0.000 0.996 1186 S CA 0.209 58.437 58.200 0.046 0.000 0.927 1186 S CB 0.363 63.590 63.200 0.044 0.000 0.774 1186 S HN 0.358 nan 8.310 nan 0.000 0.524 1187 V N 0.140 120.021 119.914 -0.055 0.000 3.483 1187 V HA 0.331 4.451 4.120 0.000 0.000 0.301 1187 V C 0.523 176.594 176.094 -0.038 0.000 1.389 1187 V CA 0.013 62.249 62.300 -0.107 0.000 1.101 1187 V CB -0.649 30.955 31.823 -0.365 0.000 0.971 1187 V HN 0.380 nan 8.190 nan 0.000 0.434 1188 T N -0.958 113.613 114.554 0.027 0.000 2.950 1188 T HA 0.765 5.115 4.350 0.000 0.000 0.288 1188 T C -0.518 174.259 174.700 0.128 0.000 1.035 1188 T CA -0.764 61.370 62.100 0.056 0.000 1.028 1188 T CB 2.855 71.727 68.868 0.006 0.000 1.109 1188 T HN 0.513 nan 8.240 nan 0.000 0.514 1189 R N 0.789 121.346 120.500 0.095 0.000 2.604 1189 R HA 0.519 4.860 4.340 0.000 0.000 0.270 1189 R C -1.076 175.259 176.300 0.058 0.000 1.052 1189 R CA -0.870 55.279 56.100 0.081 0.000 0.902 1189 R CB 1.604 31.927 30.300 0.038 0.000 1.233 1189 R HN 0.774 nan 8.270 nan 0.000 0.455 1190 I N 2.334 122.963 120.570 0.098 0.000 2.648 1190 I HA 0.134 4.304 4.170 0.000 0.000 0.284 1190 I C -0.115 176.000 176.117 -0.003 0.000 1.153 1190 I CA 0.601 61.962 61.300 0.100 0.000 1.426 1190 I CB 1.371 39.519 38.000 0.247 0.000 1.381 1190 I HN 0.524 nan 8.210 nan 0.000 0.571 1191 T N 6.579 121.086 114.554 -0.079 0.000 3.176 1191 T HA 0.266 4.616 4.350 0.000 0.000 0.337 1191 T C -2.415 172.244 174.700 -0.069 0.000 0.957 1191 T CA -0.866 61.173 62.100 -0.101 0.000 1.092 1191 T CB 1.282 70.150 68.868 -0.000 0.000 1.018 1191 T HN 0.418 nan 8.240 nan 0.000 0.473 1192 P HA 0.277 nan 4.420 nan 0.000 0.272 1192 P C -0.710 176.516 177.300 -0.123 0.000 1.230 1192 P CA -0.540 62.440 63.100 -0.201 0.000 0.788 1192 P CB 1.240 32.777 31.700 -0.273 0.000 0.949 1193 K N 2.192 122.431 120.400 -0.269 0.000 2.323 1193 K HA 0.341 4.661 4.320 0.000 0.000 0.259 1193 K C -2.017 174.307 176.600 -0.459 0.000 0.947 1193 K CA -2.263 53.739 56.287 -0.476 0.000 0.819 1193 K CB 1.689 33.583 32.500 -1.010 0.000 1.109 1193 K HN 0.070 nan 8.250 nan 0.000 0.429 1194 P HA -0.211 nan 4.420 nan 0.000 0.216 1194 P C 0.877 178.044 177.300 -0.221 0.000 1.154 1194 P CA 1.641 64.461 63.100 -0.465 0.000 0.865 1194 P CB 0.101 31.046 31.700 -1.258 0.000 0.789 1195 T N -4.812 109.455 114.554 -0.479 0.000 3.025 1195 T HA -0.181 4.169 4.350 0.000 0.000 0.270 1195 T C 1.218 175.912 174.700 -0.011 0.000 1.126 1195 T CA 1.240 63.221 62.100 -0.198 0.000 1.105 1195 T CB -1.351 67.360 68.868 -0.263 0.000 0.884 1195 T HN 0.386 nan 8.240 nan 0.000 0.522 1196 H N -0.184 118.801 119.070 -0.141 0.000 2.517 1196 H HA 0.416 4.972 4.556 0.000 0.000 0.282 1196 H C 1.385 176.624 175.328 -0.148 0.000 1.023 1196 H CA -0.171 55.684 56.048 -0.321 0.000 1.169 1196 H CB -0.001 29.500 29.762 -0.434 0.000 1.454 1196 H HN 0.364 nan 8.280 nan 0.000 0.556 1197 M N 0.257 119.963 119.600 0.177 0.000 2.308 1197 M HA 0.195 4.675 4.480 0.000 0.000 0.269 1197 M C 0.022 176.443 176.300 0.202 0.000 1.040 1197 M CA 0.030 55.476 55.300 0.242 0.000 1.024 1197 M CB 1.131 33.938 32.600 0.346 0.000 1.465 1197 M HN 0.101 nan 8.290 nan 0.000 0.517 1198 I N 1.697 122.263 120.570 -0.007 0.000 2.668 1198 I HA 0.127 4.297 4.170 0.000 0.000 0.285 1198 I C 0.763 176.488 176.117 -0.654 0.000 1.168 1198 I CA 0.083 60.972 61.300 -0.685 0.000 1.424 1198 I CB 0.168 37.675 38.000 -0.822 0.000 1.377 1198 I HN 0.167 nan 8.210 nan 0.000 0.560 1199 G N 2.711 110.713 108.800 -1.330 0.000 2.866 1199 G HA2 0.521 4.481 3.960 0.000 0.000 0.289 1199 G HA3 0.521 4.481 3.960 0.000 0.000 0.289 1199 G C 0.378 174.721 174.900 -0.929 0.000 1.396 1199 G CA -0.327 44.314 45.100 -0.765 0.000 0.848 1199 G HN 0.932 nan 8.290 nan 0.000 0.515 1200 G N -1.651 107.012 108.800 -0.227 0.000 2.321 1200 G HA2 -0.223 3.737 3.960 0.000 0.000 0.287 1200 G HA3 -0.223 3.737 3.960 0.000 0.000 0.287 1200 G C -0.125 174.835 174.900 0.101 0.000 1.018 1200 G CA 1.452 46.561 45.100 0.015 0.000 0.855 1200 G HN 1.442 nan 8.290 nan 0.000 0.507 1201 Y N -0.465 119.717 120.300 -0.196 0.000 2.563 1201 Y HA 0.510 5.060 4.550 0.000 0.000 0.351 1201 Y C 0.861 176.668 175.900 -0.156 0.000 1.087 1201 Y CA 0.289 58.357 58.100 -0.054 0.000 1.272 1201 Y CB 0.309 38.704 38.460 -0.108 0.000 1.095 1201 Y HN 1.294 nan 8.280 nan 0.000 0.620 1202 A N 2.278 124.914 122.820 -0.307 0.000 5.264 1202 A HA -0.424 3.896 4.320 0.000 0.000 0.342 1202 A C 1.949 179.510 177.584 -0.038 0.000 1.706 1202 A CA 2.394 54.312 52.037 -0.198 0.000 0.706 1202 A CB -1.685 17.231 19.000 -0.139 0.000 1.455 1202 A HN 1.039 nan 8.150 nan 0.000 0.402 1203 H N 0.313 119.392 119.070 0.014 0.000 2.518 1203 H HA 0.118 4.674 4.556 0.000 0.000 0.289 1203 H C 1.049 176.208 175.328 -0.282 0.000 1.051 1203 H CA 1.468 57.471 56.048 -0.074 0.000 1.280 1203 H CB -0.626 29.153 29.762 0.028 0.000 1.380 1203 H HN 0.500 nan 8.280 nan 0.000 0.566 1204 L N 1.631 122.499 121.223 -0.593 0.000 2.783 1204 L HA 0.553 4.893 4.340 0.000 0.000 0.235 1204 L C 0.043 176.666 176.870 -0.412 0.000 1.260 1204 L CA -0.417 54.051 54.840 -0.620 0.000 1.184 1204 L CB 0.331 42.006 42.059 -0.641 0.000 1.472 1204 L HN 0.241 nan 8.230 nan 0.000 0.426 1205 A N 0.017 122.690 122.820 -0.245 0.000 2.413 1205 A HA 0.511 4.831 4.320 0.000 0.000 0.307 1205 A C -1.160 176.482 177.584 0.098 0.000 1.087 1205 A CA -0.494 51.508 52.037 -0.058 0.000 0.750 1205 A CB 1.134 20.136 19.000 0.003 0.000 1.296 1205 A HN 0.331 nan 8.150 nan 0.000 0.423 1206 Y N 0.712 121.069 120.300 0.095 0.000 2.459 1206 Y HA 0.381 4.931 4.550 0.000 0.000 0.349 1206 Y C 0.864 176.868 175.900 0.173 0.000 1.266 1206 Y CA 1.596 59.815 58.100 0.198 0.000 1.483 1206 Y CB 0.705 39.279 38.460 0.190 0.000 1.362 1206 Y HN 1.000 nan 8.280 nan 0.000 0.628 1207 G N 3.612 111.809 108.800 -1.006 0.000 2.657 1207 G HA2 0.131 4.091 3.960 0.000 0.000 0.303 1207 G HA3 0.131 4.091 3.960 0.000 0.000 0.303 1207 G C -1.896 172.541 174.900 -0.772 0.000 1.457 1207 G CA -1.016 43.715 45.100 -0.614 0.000 0.982 1207 G HN 0.750 nan 8.290 nan 0.000 0.583 1208 F N 3.349 122.931 119.950 -0.615 0.000 2.549 1208 F HA 0.006 4.533 4.527 0.000 0.000 0.400 1208 F C 1.414 177.056 175.800 -0.263 0.000 1.011 1208 F CA 0.878 58.627 58.000 -0.419 0.000 1.148 1208 F CB 0.350 38.966 39.000 -0.640 0.000 0.993 1208 F HN 0.680 nan 8.300 nan 0.000 0.540 1209 N N 3.295 121.749 118.700 -0.408 0.000 2.900 1209 N HA -0.365 4.375 4.740 0.000 0.000 0.240 1209 N C 0.415 175.901 175.510 -0.040 0.000 0.953 1209 N CA 1.617 54.449 53.050 -0.363 0.000 0.950 1209 N CB -1.433 36.662 38.487 -0.653 0.000 1.102 1209 N HN 0.831 nan 8.380 nan 0.000 0.593 1210 Y N -0.428 119.784 120.300 -0.146 0.000 2.347 1210 Y HA 0.165 4.715 4.550 0.000 0.000 0.294 1210 Y C 0.541 176.508 175.900 0.111 0.000 1.117 1210 Y CA 1.045 59.137 58.100 -0.014 0.000 1.184 1210 Y CB 0.323 38.745 38.460 -0.062 0.000 1.047 1210 Y HN 0.167 nan 8.280 nan 0.000 0.546 1211 Y N -0.562 119.679 120.300 -0.099 0.000 2.638 1211 Y HA 0.574 5.124 4.550 0.000 0.000 0.335 1211 Y C -0.165 175.813 175.900 0.131 0.000 1.155 1211 Y CA -0.727 57.325 58.100 -0.080 0.000 1.046 1211 Y CB 1.752 40.219 38.460 0.011 0.000 1.303 1211 Y HN 0.178 nan 8.280 nan 0.000 0.460 1212 G N 0.636 109.271 108.800 -0.276 0.000 2.347 1212 G HA2 0.348 4.308 3.960 0.000 0.000 0.321 1212 G HA3 0.348 4.308 3.960 0.000 0.000 0.321 1212 G C -0.984 173.794 174.900 -0.203 0.000 1.412 1212 G CA -0.533 44.547 45.100 -0.033 0.000 0.990 1212 G HN 0.961 nan 8.290 nan 0.000 0.637 1213 T N -1.944 112.587 114.554 -0.040 0.000 2.903 1213 T HA 0.539 4.889 4.350 0.000 0.000 0.314 1213 T C 0.846 175.514 174.700 -0.054 0.000 1.078 1213 T CA 0.389 62.470 62.100 -0.031 0.000 1.114 1213 T CB 1.260 70.146 68.868 0.030 0.000 0.987 1213 T HN 2.061 nan 8.240 nan 0.000 0.548 1214 V N -0.841 119.016 119.914 -0.095 0.000 2.919 1214 V HA 0.887 5.007 4.120 0.000 0.000 0.316 1214 V C 0.633 176.690 176.094 -0.060 0.000 1.077 1214 V CA -0.799 61.430 62.300 -0.118 0.000 0.977 1214 V CB 1.614 33.262 31.823 -0.292 0.000 1.039 1214 V HN 1.132 nan 8.190 nan 0.000 0.441 1215 G N 2.043 110.790 108.800 -0.089 0.000 3.717 1215 G HA2 0.385 4.345 3.960 0.000 0.000 0.258 1215 G HA3 0.385 4.345 3.960 0.000 0.000 0.258 1215 G C 0.485 175.217 174.900 -0.280 0.000 1.088 1215 G CA 0.308 45.310 45.100 -0.164 0.000 1.737 1215 G HN 1.286 nan 8.290 nan 0.000 0.648 1216 S N 0.005 115.580 115.700 -0.209 0.000 2.572 1216 S HA 0.153 4.623 4.470 0.000 0.000 0.267 1216 S C 0.875 175.369 174.600 -0.176 0.000 1.361 1216 S CA 0.459 58.536 58.200 -0.205 0.000 1.009 1216 S CB 1.019 64.172 63.200 -0.078 0.000 0.888 1216 S HN 0.718 nan 8.310 nan 0.000 0.553 1217 N N -1.293 117.287 118.700 -0.200 0.000 1.872 1217 N HA 0.082 4.822 4.740 0.000 0.000 0.223 1217 N C 0.735 176.109 175.510 -0.227 0.000 1.424 1217 N CA -0.607 52.345 53.050 -0.164 0.000 0.710 1217 N CB 0.114 38.499 38.487 -0.169 0.000 1.074 1217 N HN 0.319 nan 8.380 nan 0.000 0.544 1218 R N 0.838 121.062 120.500 -0.460 0.000 2.236 1218 R HA 0.087 4.427 4.340 0.000 0.000 0.208 1218 R C 0.088 175.967 176.300 -0.701 0.000 1.036 1218 R CA 0.973 56.567 56.100 -0.842 0.000 1.001 1218 R CB -0.430 28.778 30.300 -1.819 0.000 0.896 1218 R HN 0.465 nan 8.270 nan 0.000 0.464 1219 D N 0.695 120.938 120.400 -0.262 0.000 2.269 1219 D HA -0.098 4.542 4.640 0.000 0.000 0.208 1219 D C 0.472 176.921 176.300 0.248 0.000 0.963 1219 D CA 0.490 54.594 54.000 0.174 0.000 0.864 1219 D CB -0.033 40.884 40.800 0.196 0.000 0.936 1219 D HN 0.047 nan 8.370 nan 0.000 0.505 1220 E N -0.186 120.075 120.200 0.103 0.000 2.502 1220 E HA 0.067 4.417 4.350 0.000 0.000 0.261 1220 E C -0.950 175.739 176.600 0.147 0.000 0.974 1220 E CA 0.397 56.890 56.400 0.154 0.000 0.936 1220 E CB 0.159 29.926 29.700 0.111 0.000 0.926 1220 E HN 0.004 nan 8.360 nan 0.000 0.459 1221 F N 2.777 122.753 119.950 0.043 0.000 2.561 1221 F HA 0.552 5.079 4.527 0.000 0.000 0.321 1221 F C -0.184 175.578 175.800 -0.063 0.000 1.065 1221 F CA -0.658 57.343 58.000 0.001 0.000 0.934 1221 F CB 1.669 40.645 39.000 -0.040 0.000 1.215 1221 F HN 0.308 nan 8.300 nan 0.000 0.471 1222 V N -0.161 119.747 119.914 -0.010 0.000 3.181 1222 V HA 0.753 4.873 4.120 0.000 0.000 0.308 1222 V C -1.451 174.533 176.094 -0.182 0.000 1.214 1222 V CA -1.023 61.180 62.300 -0.161 0.000 1.053 1222 V CB 1.514 33.142 31.823 -0.324 0.000 1.069 1222 V HN 0.429 nan 8.190 nan 0.000 0.441 1223 V N 1.723 121.387 119.914 -0.416 0.000 2.427 1223 V HA 0.668 4.788 4.120 0.000 0.000 0.286 1223 V C -0.092 175.723 176.094 -0.466 0.000 1.034 1223 V CA -0.302 61.693 62.300 -0.509 0.000 0.893 1223 V CB 1.462 32.715 31.823 -0.950 0.000 0.982 1223 V HN 0.784 nan 8.190 nan 0.000 0.452 1224 V N 5.944 125.740 119.914 -0.196 0.000 2.715 1224 V HA 0.836 4.956 4.120 0.000 0.000 0.310 1224 V C -0.181 175.925 176.094 0.021 0.000 1.054 1224 V CA -0.777 61.490 62.300 -0.055 0.000 0.928 1224 V CB 2.019 33.847 31.823 0.008 0.000 1.007 1224 V HN 1.070 nan 8.190 nan 0.000 0.437 1225 R N 1.793 122.349 120.500 0.092 0.000 2.687 1225 R HA 0.453 4.793 4.340 0.000 0.000 0.265 1225 R C -1.431 174.941 176.300 0.120 0.000 1.048 1225 R CA -1.008 55.160 56.100 0.114 0.000 0.884 1225 R CB 1.655 32.053 30.300 0.163 0.000 1.258 1225 R HN 0.579 nan 8.270 nan 0.000 0.469 1226 K N 3.023 123.483 120.400 0.100 0.000 2.322 1226 K HA 0.210 4.530 4.320 0.000 0.000 0.283 1226 K C -0.179 176.484 176.600 0.105 0.000 1.042 1226 K CA -0.281 56.066 56.287 0.100 0.000 0.958 1226 K CB 0.793 33.340 32.500 0.079 0.000 0.984 1226 K HN 0.526 nan 8.250 nan 0.000 0.473 1227 M N 3.565 123.240 119.600 0.125 0.000 2.198 1227 M HA 0.059 4.539 4.480 0.000 0.000 0.315 1227 M C 1.153 177.495 176.300 0.069 0.000 1.134 1227 M CA 0.401 55.755 55.300 0.090 0.000 1.171 1227 M CB 1.056 33.711 32.600 0.093 0.000 1.413 1227 M HN 0.723 nan 8.290 nan 0.000 0.467 1228 K N 0.883 121.298 120.400 0.026 0.000 2.344 1228 K HA 0.158 4.478 4.320 0.000 0.000 0.229 1228 K C 0.004 176.603 176.600 -0.002 0.000 1.112 1228 K CA 0.068 56.367 56.287 0.020 0.000 0.850 1228 K CB 0.515 33.019 32.500 0.008 0.000 1.311 1228 K HN 0.603 nan 8.250 nan 0.000 0.448 1229 N N 1.871 120.547 118.700 -0.040 0.000 2.444 1229 N HA 0.157 4.897 4.740 0.000 0.000 0.271 1229 N C -0.976 174.446 175.510 -0.147 0.000 1.069 1229 N CA -0.025 52.984 53.050 -0.068 0.000 0.965 1229 N CB 1.344 39.788 38.487 -0.070 0.000 1.092 1229 N HN 0.146 nan 8.380 nan 0.000 0.476 1230 I N 2.700 123.169 120.570 -0.169 0.000 2.377 1230 I HA 0.113 4.283 4.170 0.000 0.000 0.282 1230 I C -0.169 175.738 176.117 -0.349 0.000 1.091 1230 I CA -0.536 60.539 61.300 -0.374 0.000 1.207 1230 I CB 0.107 37.886 38.000 -0.368 0.000 1.429 1230 I HN 0.180 nan 8.210 nan 0.000 0.491 1231 D N 4.285 124.460 120.400 -0.376 0.000 2.232 1231 D HA 0.106 4.746 4.640 0.000 0.000 0.242 1231 D C 0.348 176.414 176.300 -0.390 0.000 1.093 1231 D CA -0.264 53.594 54.000 -0.235 0.000 0.845 1231 D CB 1.294 42.007 40.800 -0.146 0.000 1.124 1231 D HN 0.399 nan 8.370 nan 0.000 0.467 1232 W N 1.149 122.378 121.300 -0.118 0.000 3.139 1232 W HA 0.071 4.731 4.660 0.000 0.000 0.260 1232 W C 0.746 177.221 176.519 -0.074 0.000 1.312 1232 W CA -0.357 56.924 57.345 -0.108 0.000 1.606 1232 W CB 0.013 29.421 29.460 -0.088 0.000 1.118 1232 W HN 0.223 nan 8.180 nan 0.000 0.675 1233 L N 1.540 122.812 121.223 0.081 0.000 3.843 1233 L HA -0.304 4.036 4.340 0.000 0.000 0.411 1233 L C 0.468 177.378 176.870 0.066 0.000 1.205 1233 L CA 1.442 56.306 54.840 0.039 0.000 0.945 1233 L CB -2.316 39.738 42.059 -0.008 0.000 1.929 1233 L HN 0.267 nan 8.230 nan 0.000 0.934 1234 D N -2.598 117.861 120.400 0.099 0.000 2.469 1234 D HA 0.423 5.063 4.640 0.000 0.000 0.215 1234 D C 1.430 177.754 176.300 0.041 0.000 1.154 1234 D CA 0.548 54.591 54.000 0.071 0.000 0.832 1234 D CB 0.099 40.952 40.800 0.088 0.000 1.008 1234 D HN 0.403 nan 8.370 nan 0.000 0.506 1235 G N 0.793 109.616 108.800 0.038 0.000 2.203 1235 G HA2 -0.378 3.582 3.960 0.000 0.000 0.263 1235 G HA3 -0.378 3.582 3.960 0.000 0.000 0.263 1235 G C 0.709 175.618 174.900 0.015 0.000 1.012 1235 G CA 0.568 45.680 45.100 0.021 0.000 0.749 1235 G HN 0.453 nan 8.290 nan 0.000 0.512 1236 E N -0.675 119.536 120.200 0.018 0.000 2.447 1236 E HA 0.310 4.660 4.350 0.000 0.000 0.195 1236 E C 2.055 178.655 176.600 0.000 0.000 1.028 1236 E CA 0.382 56.781 56.400 -0.003 0.000 0.876 1236 E CB -0.109 29.573 29.700 -0.030 0.000 0.885 1236 E HN 1.309 nan 8.360 nan 0.000 0.500 1237 G N 2.244 111.055 108.800 0.019 0.000 2.166 1237 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 1237 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 1237 G C 0.346 175.260 174.900 0.022 0.000 0.986 1237 G CA 0.324 45.437 45.100 0.021 0.000 0.683 1237 G HN 0.196 nan 8.290 nan 0.000 0.527 1238 N N 1.296 120.005 118.700 0.016 0.000 3.131 1238 N HA 0.235 4.975 4.740 0.000 0.000 0.312 1238 N C -0.731 174.823 175.510 0.074 0.000 1.433 1238 N CA -0.066 52.981 53.050 -0.004 0.000 1.141 1238 N CB 0.283 38.713 38.487 -0.095 0.000 1.431 1238 N HN 0.337 nan 8.380 nan 0.000 0.523 1239 D N 0.560 121.038 120.400 0.130 0.000 2.326 1239 D HA 0.397 5.037 4.640 0.000 0.000 0.251 1239 D C 0.140 176.526 176.300 0.143 0.000 1.023 1239 D CA -0.120 54.005 54.000 0.209 0.000 0.966 1239 D CB 1.396 42.276 40.800 0.133 0.000 1.156 1239 D HN 0.160 nan 8.370 nan 0.000 0.494 1240 Q N -0.661 119.224 119.800 0.143 0.000 2.587 1240 Q HA 0.763 5.103 4.340 0.000 0.000 0.293 1240 Q C -1.195 174.843 176.000 0.063 0.000 1.083 1240 Q CA -0.965 54.904 55.803 0.111 0.000 0.792 1240 Q CB 2.291 31.129 28.738 0.167 0.000 1.484 1240 Q HN 0.114 nan 8.270 nan 0.000 0.446 1241 V N 0.844 120.798 119.914 0.067 0.000 2.623 1241 V HA 0.378 4.498 4.120 0.000 0.000 0.304 1241 V C -1.110 175.026 176.094 0.069 0.000 1.054 1241 V CA -0.848 61.481 62.300 0.048 0.000 0.882 1241 V CB 1.831 33.673 31.823 0.033 0.000 1.002 1241 V HN 0.609 nan 8.190 nan 0.000 0.424 1242 Q N 2.452 122.297 119.800 0.076 0.000 2.331 1242 Q HA 0.422 4.762 4.340 0.000 0.000 0.257 1242 Q C -0.522 175.515 176.000 0.060 0.000 0.957 1242 Q CA -0.541 55.314 55.803 0.087 0.000 0.923 1242 Q CB 1.933 30.743 28.738 0.120 0.000 1.212 1242 Q HN 0.630 nan 8.270 nan 0.000 0.443 1243 E N 1.143 121.374 120.200 0.052 0.000 2.392 1243 E HA 0.173 4.523 4.350 0.000 0.000 0.256 1243 E C -0.174 176.449 176.600 0.039 0.000 1.145 1243 E CA 0.372 56.796 56.400 0.040 0.000 0.929 1243 E CB 0.678 30.399 29.700 0.034 0.000 0.998 1243 E HN 0.629 nan 8.360 nan 0.000 0.442 1244 S N 0.000 115.720 115.700 0.033 0.000 2.498 1244 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1244 S CA 0.000 58.219 58.200 0.032 0.000 1.107 1244 S CB 0.000 63.218 63.200 0.029 0.000 0.593 1244 S HN 0.000 nan 8.310 nan 0.000 0.517